Gaussian 16 GINC-GASCONES LAMSABHI Optimization 14H2O CONF91 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8664,-.1125,.5698;-.0366,-3.2726,-2.6723;2.6071,.2368,1.0259;.134,1.3561,-.4132;-.608,.8136,-.0384;.3458,-.2095,3.9303;.1126,-.9204,3.2991;.2942,2.0645,.2396;-.3286,.4781,3.7588;-.0671,-2.4759,-2.1329;.4967,-1.8158,-2.6066;2.4829,-.0583,.106;1.6636,.403,-.165;-.4271,-1.9912,1.9891;.2807,-2.2641,1.3432;-.8933,-2.7966,2.2334;1.4373,-2.5713,.217;1.8765,-1.691,.1767;.9203,-2.6202,-.6106;.6724,2.9463,1.7908;1.3745,2.3583,2.1482;1.008,3.8447,1.8674;-1.4877,1.7613,3.1221;-.794,2.2943,2.6904;-1.8807,1.262,2.3965;-2.6589,.6513,-3.6131;-2.5466,.154,-4.4286;-1.7739,1.0334,-3.4396;2.3673,1.0144,2.7001;3.068,1.2207,3.3263;1.6749,.5177,3.2102;-2.5966,-1.3663,-1.7192;-1.7371,-1.7931,-1.899;-2.6591,-.6514,-2.3861;-.1291,1.5368,-3.0351;-.0569,1.5895,-2.0489;.1801,2.3839,-3.3718;1.5181,-.6402,-3.2945;2.1637,-.5098,-2.5923;-1.4044,-.8093,1.0791;.9697,.1726,-3.2737;-2.1975,-.5633,-.2433; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520736/Gau-2797135.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520736/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF91/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2O CONF91 water 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 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 3 3 4 4 4 4 6 6 6 7 8 9 10 10 10 11 12 12 14 14 14 15 17 17 20 20 20 21 23 23 26 26 26 28 29 29 32 32 32 35 35 35 38 38 5 40 42 10 12 29 5 8 13 36 7 9 31 14 20 23 11 19 33 38 13 18 15 16 40 17 18 19 21 22 24 29 24 25 27 28 34 35 30 31 33 34 42 36 37 41 39 41 1.6766 0.9789 0.987 0.9626 0.9741 1.8614 0.9927 0.9766 1.8192 1.6633 0.9789 0.9783 1.6775 1.7759 1.824 1.8427 0.9889 1.8202 1.8193 1.7025 0.9785 1.743 0.9963 0.9621 1.7833 1.6432 0.9847 0.977 0.9831 0.9621 1.8398 1.7596 0.9755 0.9646 0.9618 0.9795 1.7895 1.767 0.9621 0.9932 0.9764 0.9797 1.7269 0.9902 0.9626 1.7679 0.9628 0.9807 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 40 12 5 5 5 8 8 13 7 7 9 4 2 2 2 11 11 19 3 3 13 7 7 7 15 15 16 15 15 18 8 8 8 21 21 22 9 9 24 27 27 28 3 3 3 21 21 30 33 33 34 28 28 28 36 36 37 11 11 39 1 1 1 3 4 4 4 4 4 4 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 40 42 42 29 8 13 36 13 36 36 9 31 31 20 11 19 33 19 33 33 13 18 18 15 16 40 16 40 40 18 19 19 21 22 24 22 24 24 24 25 25 28 34 34 21 30 31 30 31 31 34 42 42 36 37 41 37 41 41 39 41 41 103.1624 101.8459 105.1742 163.6405 105.4627 106.8987 111.2351 98.6856 125.0606 107.7078 103.4842 103.1011 99.5678 162.4049 105.4266 112.6968 114.3153 98.2957 109.5306 114.846 103.0362 106.8485 99.2975 115.3071 117.6895 98.2437 106.2322 103.8891 114.7597 100.0747 102.5611 104.2432 99.6794 126.2598 94.5416 106.2938 100.3423 124.7522 94.9431 98.96 103.8617 104.2622 101.8285 99.3587 96.2984 125.5289 110.0518 116.8268 98.609 106.2973 104.46 99.0439 104.9097 108.1199 118.0145 109.1392 106.1429 97.4766 115.6081 101.6055 103.1937 104.3127 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 1 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 1 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 42 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 42 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 32 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 32 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 17 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 17 -1 -1 -1 -1 -1 -1 -1 -1 -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 -2 179.2696 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 176.9558 171.1484 175.192 186.4919 174.5698 173.889 174.4897 166.9037 171.7599 175.5114 176.7622 174.9564 176.99 168.8453 179.7503 175.1911 174.7285 179.4128 189.1309 185.4632 179.8311 185.6539 179.9354 179.4377 185.1094 181.154 170.4135 174.7375 172.4241 181.3835 182.1999 182.2943 174.7576 173.3929 183.391 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 40 40 40 42 42 42 5 5 5 42 42 42 5 5 40 40 29 29 12 12 12 5 13 36 5 5 8 8 36 36 5 5 5 8 8 8 13 13 13 9 9 9 31 31 31 7 7 31 31 7 7 7 9 9 9 4 4 4 2 2 11 11 33 33 2 2 11 11 19 19 2 2 19 19 33 33 3 3 13 13 7 7 16 16 40 40 8 8 21 21 22 22 8 8 8 22 22 22 24 24 24 27 27 28 28 27 27 27 34 34 34 28 28 36 36 37 37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 35 4 4 4 4 4 4 14 14 14 14 14 14 32 32 32 32 12 12 29 29 29 8 8 8 12 12 12 12 12 12 35 35 35 35 35 35 35 35 35 14 14 14 14 14 14 23 23 23 23 29 29 29 29 29 29 20 20 20 17 17 17 17 17 17 32 32 32 32 32 32 38 38 38 38 38 38 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 8 13 36 8 13 36 7 15 16 7 15 16 33 34 33 34 13 18 21 30 31 20 20 20 3 18 3 18 3 18 28 37 41 28 37 41 28 37 41 15 16 40 15 16 40 24 25 24 25 3 21 30 3 21 30 21 22 24 15 18 15 18 15 18 34 42 34 42 34 42 39 41 39 41 39 41 15 19 15 19 18 19 18 19 18 19 9 25 9 25 9 25 3 30 31 3 30 31 3 30 31 33 42 33 42 36 37 41 36 37 41 11 39 11 39 11 39 -91.7109 12.8695 129.9381 159.4791 -95.9404 21.1282 71.1714 -46.9694 -162.7935 176.8206 58.6799 -57.1442 59.0708 -47.9127 -46.864 -153.8475 7.2903 -96.7965 -30.1587 -159.7061 71.4136 57.6191 -52.7064 -171.595 -82.0125 26.8267 26.0806 134.9198 157.113 -94.0479 15.1517 146.3654 -95.328 -115.8551 15.3587 133.6652 129.6086 -99.1776 19.1289 124.7762 -105.5449 16.7734 23.246 152.9249 -84.7568 -106.0889 -1.7797 -1.8346 102.4746 4.0588 102.0529 -137.3956 -101.4379 -3.4438 117.1078 38.235 156.7949 -63.0824 -122.6885 134.8544 126.6673 24.2103 11.8746 -90.5825 -97.6453 155.316 21.0324 -86.0063 129.3428 22.3042 -118.4523 134.1754 -2.5017 -109.8739 116.4244 9.0522 46.756 151.3695 -59.2457 45.3678 -38.5049 -145.0837 -172.8291 80.5921 65.8823 -40.6965 95.0937 -3.7403 -4.9621 -103.7961 -122.6024 138.5636 18.0959 154.7805 -92.5399 -115.1484 21.5362 134.2158 112.9932 -110.3223 2.3574 56.5506 159.41 -49.9267 52.9327 -148.7345 90.024 -44.9692 -45.189 -166.4306 58.5762 -40.9877 -145.1119 70.0613 -34.0629 -178.4237 77.452 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 476 A 728 490 1289.6632929054 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.53D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 39 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00046 0.00083 0.00162 0.00288 0.00292 0.00303 0.00371 0.00407 0.00418 0.00473 0.00507 0.00535 0.00593 0.00686 0.00755 0.00837 0.00925 0.00971 0.01024 0.01101 0.01267 0.01455 0.01605 0.01726 0.02032 0.02092 0.02258 0.02498 0.02701 0.03117 0.03224 0.03312 0.03360 0.03475 0.03604 0.03827 0.04002 0.04044 0.04185 0.04355 0.04361 0.04514 0.04632 0.04710 0.04820 0.04928 0.04987 0.05160 0.05244 0.05279 0.05396 0.05457 0.05519 0.05635 0.05719 0.05768 0.05896 0.05956 0.06019 0.06081 0.06139 0.06253 0.06359 0.06408 0.06455 0.06614 0.06687 0.06768 0.06821 0.06930 0.06973 0.07048 0.07234 0.07276 0.07408 0.07516 0.07592 0.07709 0.07880 0.07929 0.08026 0.08178 0.08338 0.08482 0.09067 0.09340 0.09756 0.10294 0.10571 0.10909 0.12250 0.13742 0.40628 0.41962 0.42603 0.43295 0.45423 0.45897 0.46714 0.47616 0.48296 0.48560 0.48933 0.49024 0.49220 0.49839 0.50142 0.50369 0.50471 0.51247 0.51406 0.52157 0.53775 0.54869 0.54934 0.55001 0.55031 0.55084 0.55584 0.58892 -1.24792922e-07 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 R45 R46 R47 R48 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 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 3.34385 1.85331 1.86429 1.82397 1.84769 3.53009 1.86178 1.85026 3.37107 3.24849 1.85272 1.85201 3.28086 3.39779 3.42897 3.52932 1.86711 3.49904 3.44719 3.32075 1.85973 3.37750 1.87423 1.82336 3.41686 3.23057 1.86050 1.84848 1.85658 1.82291 3.52909 3.42292 1.84494 1.83985 1.82369 1.85718 3.43117 3.37281 1.82376 1.87222 1.85135 1.85397 3.34098 1.86611 1.82439 3.43889 1.83399 1.85325 1.89348 1.66959 1.83738 2.81009 1.85303 1.78780 2.07898 1.70727 2.22377 1.69597 1.81129 1.86993 1.77276 2.89244 1.84912 2.06781 2.03037 1.61256 1.91761 1.93193 1.79905 1.86751 1.83752 1.98401 2.12396 1.57133 1.86038 1.80703 2.08864 1.75186 1.81944 1.81186 1.77427 2.19032 1.40036 1.86493 1.86292 2.28672 1.62043 1.67195 1.82734 1.83547 1.89216 1.73448 1.68972 2.20889 1.84717 2.10070 1.68741 1.85295 1.82611 1.80300 1.89691 1.80144 2.02451 2.00555 1.85042 1.66278 2.04860 1.78363 1.79533 1.81980 3.07993 3.09426 2.98961 2.98299 3.21884 3.00615 3.06748 3.01988 2.83894 3.02932 2.99689 3.09583 3.08341 3.08335 2.95228 3.14741 3.04942 3.04480 3.13983 3.27937 3.21531 3.14549 3.17870 3.11569 3.11695 3.33697 3.14878 2.93190 3.12177 2.99555 3.16654 3.15903 3.16684 3.05162 3.00103 3.19048 -1.55090 0.23312 2.05365 2.85199 -1.64717 0.17335 1.14134 -0.84881 -2.92338 2.90352 0.91337 -1.16120 1.17042 -0.74633 -0.74626 -2.66301 0.25239 -1.68022 -0.66874 -3.04674 1.05837 1.11087 -0.72926 -2.56691 -1.51644 0.42533 0.37039 2.31216 2.62828 -1.71313 0.42479 2.60669 -1.58960 -2.17620 0.00571 2.09260 2.28280 -1.81848 0.26841 2.07559 -1.89987 0.26848 0.24469 2.55242 -1.56241 -2.03077 -0.20156 -0.12665 1.70256 0.24469 1.94526 -2.18379 -1.62912 0.07145 2.22558 0.52356 2.63041 -1.31323 -2.13782 2.36215 2.25583 0.47262 0.32374 -1.45947 -1.55697 2.75522 0.55103 -1.41996 2.29499 0.32399 -2.32895 2.08622 -0.24273 -2.11075 1.69424 -0.17378 0.96191 2.82407 -0.93591 0.92625 -0.59737 -2.45404 -3.02185 1.40467 1.03891 -0.81776 1.74971 0.09261 0.01065 -1.64645 -2.26299 2.36309 0.34737 2.82446 -1.50365 -1.98359 0.49350 2.44857 1.75386 -2.05224 -0.09717 1.09986 2.99839 -0.80491 1.09361 -2.84668 1.43152 -1.08896 -0.90603 -2.91101 0.85169 -0.43351 -2.25459 1.41158 -0.40950 -2.94475 1.51736 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 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 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00009 -0.00002 -0.00003 -0.00001 0.00001 -0.00007 0.00003 0.00003 -0.00001 -0.00025 -0.00000 0.00005 0.00007 -0.00004 -0.00034 -0.00061 -0.00006 -0.00023 -0.00000 0.00025 -0.00000 -0.00019 0.00001 -0.00001 0.00003 -0.00011 0.00002 0.00001 0.00002 0.00001 0.00009 -0.00017 -0.00002 0.00001 -0.00000 -0.00001 0.00002 -0.00003 0.00000 -0.00001 -0.00000 -0.00003 0.00010 0.00003 -0.00001 -0.00002 -0.00005 -0.00001 0.00006 0.00011 0.00002 -0.00003 0.00004 -0.00005 -0.00021 -0.00009 0.00009 0.00028 -0.00000 0.00003 -0.00025 0.00021 0.00014 -0.00009 -0.00010 0.00006 -0.00004 0.00007 -0.00005 0.00011 0.00005 -0.00003 -0.00012 0.00008 0.00011 -0.00000 -0.00003 -0.00018 -0.00002 0.00002 -0.00020 -0.00067 -0.00005 -0.00003 0.00011 0.00069 0.00004 0.00011 -0.00002 0.00002 0.00031 0.00023 -0.00002 0.00010 -0.00010 -0.00006 0.00008 -0.00001 0.00004 0.00002 0.00018 -0.00001 -0.00003 -0.00000 0.00006 -0.00005 0.00003 0.00005 0.00003 0.00007 0.00006 0.00006 0.00023 -0.00013 -0.00010 0.00007 0.00010 0.00013 0.00005 -0.00005 -0.00012 -0.00012 -0.00012 -0.00029 -0.00003 -0.00000 0.00030 -0.00007 0.00003 0.00009 -0.00035 0.00013 0.00001 0.00009 0.00001 -0.00005 0.00033 -0.00018 -0.00023 -0.00002 0.00004 -0.00028 0.00027 -0.00015 0.00021 0.00003 0.00012 0.00000 0.00025 0.00003 -0.00008 0.00016 -0.00006 -0.00004 -0.00017 0.00007 0.00010 -0.00004 0.00005 -0.00005 -0.00003 -0.00013 -0.00036 -0.00044 0.00045 0.00047 0.00051 0.00002 0.00010 -0.00022 -0.00013 -0.00001 -0.00012 -0.00000 0.00002 0.00014 -0.00003 0.00005 0.00001 0.00006 0.00013 0.00009 -0.00001 0.00006 0.00002 -0.00030 -0.00027 -0.00032 -0.00003 0.00001 -0.00004 -0.00003 -0.00004 0.00000 -0.00000 -0.00007 -0.00008 -0.00009 0.00003 0.00002 0.00001 0.00013 -0.00056 -0.00000 0.00012 0.00029 -0.00006 0.00010 -0.00006 0.00011 -0.00002 -0.00021 0.00008 -0.00011 0.00013 -0.00005 0.00043 0.00035 0.00038 0.00031 0.00045 0.00038 -0.00006 -0.00011 -0.00008 -0.00013 0.00002 0.00005 0.00011 0.00014 0.00011 0.00015 -0.00008 -0.00018 0.00015 0.00005 -0.00073 -0.00083 -0.00010 0.00004 -0.00001 0.00082 0.00096 0.00092 -0.00016 -0.00002 -0.00006 -0.00000 0.00003 -0.00021 -0.00017 -0.00051 -0.00060 -0.00061 -0.00013 -0.00022 -0.00023 -0.00008 -0.00022 -0.00006 -0.00020 0.00004 -0.00010 -0.00012 0.00001 0.00000 0.00001 0.00001 0.00011 0.00001 -0.00001 0.00016 0.00010 -0.00002 -0.00002 0.00005 0.00012 -0.00006 0.00006 0.00001 0.00008 0.00011 0.00008 -0.00001 0.00003 0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00010 0.00001 0.00000 -0.00003 0.00001 -0.00000 -0.00001 0.00018 0.00000 0.00000 0.00000 0.00001 0.00003 -0.00000 0.00001 0.00005 0.00004 0.00001 -0.00005 -0.00022 0.00002 -0.00011 0.00008 0.00004 -0.00007 0.00009 0.00005 -0.00022 0.00001 0.00002 0.00002 0.00004 -0.00005 -0.00001 -0.00009 0.00008 0.00004 0.00007 0.00003 0.00001 0.00015 0.00003 0.00008 0.00015 -0.00004 -0.00004 -0.00019 -0.00006 0.00004 -0.00003 0.00011 -0.00016 -0.00007 0.00000 0.00014 0.00001 0.00014 0.00016 0.00003 0.00000 0.00021 0.00010 0.00018 -0.00009 -0.00007 0.00004 -0.00012 0.00002 -0.00002 -0.00007 0.00002 0.00002 -0.00006 0.00004 -0.00003 0.00011 -0.00004 -0.00016 -0.00013 -0.00003 0.00007 0.00003 -0.00012 0.00005 0.00003 0.00013 -0.00019 -0.00021 -0.00002 -0.00001 -0.00003 -0.00004 0.00010 -0.00008 0.00008 0.00014 -0.00021 0.00000 0.00020 0.00002 -0.00010 -0.00006 -0.00007 -0.00016 -0.00006 0.00010 -0.00019 -0.00039 -0.00020 -0.00005 -0.00004 0.00013 -0.00007 0.00001 -0.00003 -0.00021 -0.00004 0.00004 -0.00022 0.00001 0.00009 -0.00017 -0.00009 -0.00014 0.00001 -0.00030 -0.00036 -0.00020 -0.00000 0.00001 0.00008 0.00009 -0.00006 -0.00025 0.00020 0.00001 0.00013 0.00053 0.00044 0.00063 -0.00034 -0.00025 -0.00022 -0.00013 -0.00020 -0.00012 0.00004 -0.00007 -0.00005 -0.00007 -0.00017 -0.00015 -0.00003 -0.00014 -0.00012 0.00009 0.00016 0.00007 0.00006 0.00014 0.00004 -0.00001 0.00004 0.00001 0.00005 -0.00013 0.00002 0.00001 -0.00014 0.00000 -0.00001 -0.00038 -0.00038 -0.00050 -0.00019 -0.00008 -0.00017 -0.00007 -0.00024 -0.00013 0.00021 0.00020 0.00010 0.00009 0.00026 0.00024 -0.00038 -0.00028 -0.00036 -0.00027 -0.00025 -0.00015 0.00033 0.00032 0.00025 0.00023 -0.00009 -0.00006 -0.00010 -0.00008 0.00010 0.00013 0.00007 -0.00007 -0.00003 -0.00017 -0.00017 -0.00030 -0.00010 -0.00003 -0.00003 0.00010 0.00016 0.00017 -0.00016 -0.00010 -0.00009 -0.00004 -0.00016 -0.00012 -0.00023 -0.00004 -0.00002 0.00010 0.00018 0.00019 0.00031 -0.00013 0.00011 -0.00007 0.00016 -0.00009 0.00014 -0.00021 -0.00001 -0.00002 -0.00001 0.00001 0.00004 0.00004 0.00002 0.00016 -0.00015 -0.00002 0.00003 0.00012 0.00007 -0.00039 -0.00055 -0.00004 -0.00015 0.00011 0.00032 -0.00002 -0.00016 0.00002 -0.00001 0.00002 -0.00010 0.00002 0.00001 0.00003 0.00001 -0.00001 -0.00016 -0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00015 0.00000 -0.00000 -0.00000 -0.00002 0.00014 0.00003 -0.00000 0.00003 -0.00002 -0.00000 0.00001 -0.00011 0.00005 -0.00014 0.00011 -0.00001 -0.00028 0.00001 0.00014 0.00006 0.00001 0.00005 -0.00023 0.00024 0.00009 -0.00009 -0.00019 0.00013 0.00001 0.00014 -0.00002 0.00012 0.00021 0.00000 -0.00004 0.00022 0.00007 -0.00004 -0.00022 -0.00024 0.00002 -0.00001 -0.00010 -0.00083 -0.00012 -0.00003 0.00025 0.00070 0.00017 0.00027 0.00001 0.00002 0.00052 0.00033 0.00016 0.00001 -0.00017 -0.00002 -0.00004 0.00002 0.00002 -0.00005 0.00019 0.00001 -0.00008 0.00004 0.00003 0.00005 -0.00001 -0.00011 -0.00010 0.00005 0.00013 0.00009 0.00010 -0.00008 -0.00007 0.00019 -0.00008 -0.00008 0.00003 -0.00006 -0.00015 -0.00016 -0.00002 -0.00037 0.00005 0.00014 0.00010 -0.00006 0.00022 0.00011 -0.00045 0.00007 -0.00006 -0.00007 -0.00004 0.00005 0.00013 -0.00058 -0.00043 -0.00007 -0.00000 -0.00015 0.00020 -0.00014 0.00017 -0.00018 0.00007 0.00004 0.00003 0.00004 0.00001 -0.00001 -0.00014 -0.00018 -0.00015 -0.00023 -0.00027 -0.00024 0.00005 -0.00003 0.00005 -0.00004 -0.00043 -0.00069 0.00066 0.00048 0.00064 0.00056 0.00054 0.00041 -0.00047 -0.00026 -0.00034 -0.00014 -0.00018 0.00002 0.00001 -0.00002 -0.00004 -0.00001 -0.00004 -0.00006 -0.00005 -0.00008 -0.00010 -0.00021 -0.00010 -0.00025 0.00003 0.00014 -0.00001 -0.00004 -0.00000 0.00001 0.00005 -0.00020 -0.00006 -0.00009 -0.00011 0.00002 -0.00000 -0.00025 -0.00094 -0.00050 -0.00007 0.00021 -0.00024 0.00004 -0.00030 -0.00003 0.00019 -0.00001 0.00018 -0.00002 0.00039 0.00019 0.00006 0.00007 0.00002 0.00004 0.00021 0.00022 0.00027 0.00021 0.00017 0.00010 -0.00007 -0.00001 0.00000 0.00006 0.00022 0.00028 -0.00001 -0.00025 0.00012 -0.00012 -0.00090 -0.00113 -0.00020 0.00000 -0.00004 0.00092 0.00112 0.00109 -0.00032 -0.00012 -0.00015 -0.00005 -0.00013 -0.00033 -0.00041 -0.00055 -0.00062 -0.00051 0.00005 -0.00003 0.00009 -0.00020 -0.00011 -0.00013 -0.00004 -0.00006 0.00004 3.34364 1.85330 1.86426 1.82396 1.84770 3.53013 1.86182 1.85028 3.37123 3.24834 1.85270 1.85204 3.28098 3.39786 3.42858 3.52876 1.86707 3.49889 3.44730 3.32107 1.85972 3.37734 1.87425 1.82335 3.41688 3.23047 1.86052 1.84849 1.85660 1.82292 3.52908 3.42275 1.84493 1.83983 1.82370 1.85716 3.43117 3.37296 1.82376 1.87222 1.85134 1.85395 3.34112 1.86614 1.82439 3.43892 1.83397 1.85325 1.89350 1.66947 1.83743 2.80995 1.85315 1.78779 2.07870 1.70727 2.22390 1.69603 1.81130 1.86998 1.77253 2.89268 1.84921 2.06772 2.03018 1.61270 1.91761 1.93207 1.79903 1.86763 1.83773 1.98401 2.12392 1.57155 1.86045 1.80699 2.08843 1.75162 1.81946 1.81184 1.77417 2.18950 1.40024 1.86490 1.86316 2.28742 1.62060 1.67221 1.82735 1.83549 1.89268 1.73481 1.68988 2.20890 1.84699 2.10067 1.68737 1.85296 1.82613 1.80294 1.89711 1.80145 2.02443 2.00558 1.85045 1.66283 2.04859 1.78352 1.79523 1.81984 3.08006 3.09435 2.98971 2.98291 3.21877 3.00634 3.06740 3.01980 2.83897 3.02926 2.99674 3.09567 3.08340 3.08298 2.95233 3.14755 3.04952 3.04474 3.14005 3.27948 3.21485 3.14556 3.17863 3.11562 3.11690 3.33702 3.14891 2.93132 3.12134 2.99548 3.16654 3.15888 3.16704 3.05148 3.00121 3.19031 -1.55083 0.23317 2.05367 2.85203 -1.64716 0.17334 1.14119 -0.84899 -2.92353 2.90329 0.91311 -1.16143 1.17047 -0.74637 -0.74621 -2.66305 0.25197 -1.68091 -0.66809 -3.04625 1.05901 1.11143 -0.72872 -2.56650 -1.51691 0.42507 0.37005 2.31203 2.62810 -1.71311 0.42480 2.60667 -1.58964 -2.17620 0.00567 2.09254 2.28276 -1.81855 0.26832 2.07537 -1.89998 0.26823 0.24473 2.55256 -1.56242 -2.03082 -0.20157 -0.12664 1.70261 0.24450 1.94520 -2.18388 -1.62923 0.07147 2.22558 0.52330 2.62947 -1.31373 -2.13789 2.36236 2.25559 0.47266 0.32344 -1.45949 -1.55678 2.75521 0.55121 -1.41999 2.29537 0.32418 -2.32889 2.08629 -0.24271 -2.11071 1.69444 -0.17356 0.96218 2.82428 -0.93574 0.92636 -0.59744 -2.45405 -3.02184 1.40474 1.03913 -0.81748 1.74970 0.09236 0.01077 -1.64657 -2.26389 2.36196 0.34717 2.82446 -1.50369 -1.98267 0.49463 2.44966 1.75354 -2.05235 -0.09732 1.09981 2.99826 -0.80524 1.09320 -2.84723 1.43089 -1.08947 -0.90598 -2.91104 0.85178 -0.43372 -2.25470 1.41145 -0.40953 -2.94481 1.51740 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000025 0.000005 0.001646 0.000241 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.205026e-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 R45 R46 R47 R48 1 1 1 2 3 3 4 4 4 4 6 6 6 7 8 9 10 10 10 11 12 12 14 14 14 15 17 17 20 20 20 21 23 23 26 26 26 28 29 29 32 32 32 35 35 35 38 38 5 40 42 10 12 29 5 8 13 36 7 9 31 14 20 23 11 19 33 38 13 18 15 16 40 17 18 19 21 22 24 29 24 25 27 28 34 35 30 31 33 34 42 36 37 41 39 41 1.7695 0.9807 0.9865 0.9652 0.9778 1.868 0.9852 0.9791 1.7839 1.719 0.9804 0.98 1.7362 1.798 1.8145 1.8676 0.988 1.8516 1.8242 1.7573 0.9841 1.7873 0.9918 0.9649 1.8081 1.7095 0.9845 0.9782 0.9825 0.9646 1.8675 1.8113 0.9763 0.9736 0.9651 0.9828 1.8157 1.7848 0.9651 0.9907 0.9797 0.9811 1.768 0.9875 0.9654 1.8198 0.9705 0.9807 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 40 12 5 5 5 8 8 13 7 7 9 4 2 2 2 11 11 19 3 3 13 7 7 7 15 15 16 15 15 18 8 8 8 21 21 22 9 9 24 27 27 28 3 3 3 21 21 30 33 33 34 28 28 28 36 36 37 11 11 39 1 1 1 3 4 4 4 4 4 4 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 40 42 42 29 8 13 36 13 36 36 9 31 31 20 11 19 33 19 33 33 13 18 18 15 16 40 16 40 40 18 19 19 21 22 24 22 24 24 24 25 25 28 34 34 21 30 31 30 31 31 34 42 42 36 37 41 37 41 41 39 41 41 108.4887 95.6602 105.2739 161.0065 106.171 102.4331 119.1169 97.8192 127.4124 97.1719 103.7791 107.1393 101.5716 165.7245 105.9468 118.477 116.3314 92.393 109.8708 110.6915 103.0778 107.0004 105.2821 113.6754 121.694 90.0304 106.5918 103.5352 119.6705 100.3743 104.2461 103.8118 101.6581 125.4962 80.235 106.8528 106.7373 131.0195 92.8438 95.7954 104.6991 105.1649 108.4125 99.3784 96.8137 126.5601 105.8348 120.361 96.6813 106.1662 104.6282 103.304 108.685 103.215 115.9961 114.9094 106.0214 95.2702 117.3764 102.1946 102.8647 104.2667 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 1 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 42 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 32 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 17 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 -1 -1 -1 -1 -1 -1 -1 -1 -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 -2 176.4669 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 177.2879 171.2919 170.9129 184.4261 172.2395 175.7538 173.0262 162.6591 173.5671 171.7089 177.3778 176.6666 176.663 169.1529 180.3336 174.719 174.4544 179.8989 187.8942 184.2234 180.2235 182.1258 178.5159 178.5879 191.1945 180.4119 167.9853 178.8641 171.6325 181.4296 180.9993 181.4468 174.8448 171.9465 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 40 40 40 42 42 42 5 5 5 42 42 42 5 5 40 40 29 29 12 12 12 5 13 36 5 5 8 8 36 36 5 5 5 8 8 8 13 13 13 9 9 9 31 31 31 7 7 31 31 7 7 7 9 9 9 4 4 4 2 2 11 11 33 33 2 2 11 11 19 19 2 2 19 19 33 33 3 3 13 13 7 7 16 16 40 40 8 8 21 21 22 22 8 8 8 22 22 22 24 24 24 27 27 28 28 27 27 27 34 34 34 28 28 36 36 37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 4 4 4 4 4 4 14 14 14 14 14 14 32 32 32 32 12 12 29 29 29 8 8 8 12 12 12 12 12 12 35 35 35 35 35 35 35 35 35 14 14 14 14 14 14 23 23 23 23 29 29 29 29 29 29 20 20 20 17 17 17 17 17 17 32 32 32 32 32 32 38 38 38 38 38 38 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 8 13 36 8 13 36 7 15 16 7 15 16 33 34 33 34 13 18 21 30 31 20 20 20 3 18 3 18 3 18 28 37 41 28 37 41 28 37 41 15 16 40 15 16 40 24 25 24 25 3 21 30 3 21 30 21 22 24 15 18 15 18 15 18 34 42 34 42 34 42 39 41 39 41 39 41 15 19 15 19 18 19 18 19 18 19 9 25 9 25 9 25 3 30 31 3 30 31 3 30 31 33 42 33 42 36 37 41 36 37 41 11 39 11 39 11 -88.8601 13.357 117.6652 163.4069 -94.376 9.9322 65.3938 -48.6331 -167.4972 166.3594 52.3325 -66.5316 67.0603 -42.7617 -42.7573 -152.5794 14.4611 -96.2696 -38.3162 -174.5651 60.6403 63.6483 -41.7837 -147.0732 -86.8856 24.3699 21.2217 132.4772 150.5892 -98.1553 24.3386 149.3525 -91.0775 -124.6869 0.327 119.897 130.795 -104.1911 15.3789 118.9223 -108.8547 15.3829 14.0198 146.2428 -89.5196 -116.3548 -11.5487 -7.2564 97.5497 14.0198 111.4553 -125.122 -93.3418 4.0938 127.5164 29.9976 150.7111 -75.2424 -122.4882 135.3415 129.2495 27.0792 18.549 -83.6213 -89.2077 157.8625 31.5719 -81.3579 131.493 18.5631 -133.4389 119.5314 -13.9075 -120.9371 97.0727 -9.9569 55.1134 161.8075 -53.6236 53.0705 -34.2269 -140.606 -173.1391 80.4818 59.5252 -46.854 100.2513 5.3064 0.6101 -94.3348 -129.66 135.3951 19.9029 161.8297 -86.153 -113.6513 28.2756 140.2928 100.4886 -117.5846 -5.5674 63.0174 171.7949 -46.1181 62.6594 -163.1028 82.02 -62.3929 -51.9115 -166.7887 48.7984 -24.8385 -129.1785 80.8775 -23.4625 -168.7217 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.0449426135 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8664,-.1125,.5698;-.0366,-3.2726,-2.6723;2.6071,.2368,1.0259;.134,1.3561,-.4132;-.608,.8136,-.0384;.3458,-.2095,3.9303;.1126,-.9204,3.2991;.2942,2.0645,.2396;-.3286,.4781,3.7588;-.0671,-2.4759,-2.1329;.4967,-1.8158,-2.6066;2.4829,-.0583,.106;1.6636,.403,-.165;-.4271,-1.9912,1.9891;.2807,-2.2641,1.3432;-.8933,-2.7966,2.2334;1.4373,-2.5713,.217;1.8765,-1.691,.1766;.9203,-2.6202,-.6106;.6724,2.9463,1.7908;1.3745,2.3583,2.1482;1.008,3.8447,1.8674;-1.4877,1.7613,3.1221;-.794,2.2943,2.6904;-1.8807,1.262,2.3964;-2.659,.6513,-3.6131;-2.5466,.154,-4.4286;-1.7739,1.0334,-3.4396;2.3673,1.0144,2.7001;3.068,1.2207,3.3263;1.6749,.5177,3.2102;-2.5966,-1.3663,-1.7192;-1.7371,-1.7931,-1.899;-2.6591,-.6514,-2.3861;-.1291,1.5368,-3.0351;-.0569,1.5895,-2.0489;.1801,2.3839,-3.3718;1.5181,-.6402,-3.2945;2.1637,-.5098,-2.5923;-1.4044,-.8093,1.079;.9697,.1726,-3.2737;-2.1975,-.5633,-.2433; 0.000000 4.883209 0.000000 4.510258 5.743034 0.000000 2.669199 5.153446 3.072513 0.000000 1.676604 4.895066 3.435521 0.992677 0.000000 4.024446 7.288624 3.707919 4.621924 4.207980 0.000000 3.466689 6.419705 3.567736 4.354718 3.829419 0.978887 0.000000 3.084863 6.088855 3.051057 0.976561 1.567160 4.335359 4.278179 0.000000 3.589321 7.450667 4.018142 4.288396 3.822180 0.978261 1.536814 3.910142 0.000000 4.015955 0.962604 4.948604 4.205051 3.937122 6.486163 5.653177 5.135690 6.595986 0.000000 4.309856 1.552741 4.675767 3.873473 3.837999 6.733127 5.985514 4.816564 6.816285 0.988919 0.000000 4.374228 4.939463 0.974110 2.790549 3.214756 4.383607 4.069034 3.052021 4.640621 4.166489 3.793662 0.000000 3.642312 4.763124 1.528495 1.819248 2.311918 4.345569 4.019544 2.190870 4.401250 3.893076 3.499460 0.978474 0.000000 2.759572 4.850059 3.885610 4.158113 3.465552 2.745940 1.775939 4.475434 3.039563 4.165977 4.690890 3.968602 3.839676 0.000000 3.136440 4.152337 3.430353 4.026416 3.488649 3.304396 2.378928 4.467093 3.704875 3.499855 3.981007 3.353445 3.361597 0.996306 0.000000 3.304331 5.002622 4.786652 5.030337 4.274998 3.332841 2.380674 5.386592 3.656397 4.455320 5.130239 4.839644 4.746272 0.962123 1.566590 0.000000 4.133299 3.318510 3.147725 4.185701 3.963091 4.534113 3.738864 4.774740 4.996126 2.791856 3.070590 2.724076 3.007242 2.636762 1.643242 3.089957 0.000000 4.081082 3.778655 2.229643 3.559323 3.534408 4.316042 3.668046 4.075731 4.732782 3.118944 3.109042 1.743034 2.132292 2.946450 2.058123 3.622732 0.984650 0.000000 3.930353 2.364758 3.699451 4.058125 3.801912 5.173181 4.339033 4.802276 5.500092 1.820247 2.193330 3.085157 3.144946 2.994911 2.086420 3.377635 0.977025 1.548389 0.000000 4.158482 7.687516 3.416103 2.770636 3.087721 3.826669 4.188015 1.823990 3.311657 6.733769 6.484334 3.891566 3.358034 5.062320 5.244251 5.968928 5.788426 5.055667 6.067506 0.000000 4.370323 7.545619 2.698104 3.017304 3.331328 3.290569 3.696819 2.212763 3.004947 6.616367 6.387690 3.352514 3.042700 4.710519 4.817776 5.632298 5.294744 4.531628 5.709901 0.983062 0.000000 5.060165 8.506275 4.035164 3.486834 3.928222 4.596845 5.055437 2.515597 4.086319 7.557039 7.233248 4.528969 4.050441 6.010973 6.174232 6.917759 6.638756 5.852917 6.924114 0.962059 1.556490 0.000000 3.188893 7.811648 4.846214 3.910565 3.414768 2.810475 3.127897 3.402306 1.842660 6.898400 7.039327 5.307870 4.751951 4.060769 4.742961 4.681620 5.980504 5.649056 6.239356 2.800477 3.081719 3.484712 0.000000 3.382261 7.766816 4.309527 3.372500 3.110182 3.017577 3.395124 2.691329 2.157961 6.822627 6.827712 4.790861 4.215527 4.357986 4.873316 5.112339 5.896659 5.416025 6.163470 1.839802 2.236222 2.515617 0.975511 0.000000 2.286078 7.046696 4.803117 3.458590 2.783700 3.078175 3.090432 3.166352 2.208936 6.146258 6.336835 5.101962 4.456568 3.586373 4.267815 4.180152 5.518411 5.269154 5.653286 3.118023 3.443796 3.910831 0.964560 1.527369 0.000000 4.325265 4.812356 7.030217 4.305430 4.124462 8.165308 7.611123 5.055823 7.733360 4.322965 4.130055 6.385364 5.534899 6.583892 6.457944 7.013281 6.467894 6.357543 5.703402 6.750388 7.237092 7.326660 6.925824 6.775780 6.090402 0.000000 5.051490 4.596336 7.504650 4.975365 4.844300 8.852655 8.242704 5.788975 8.488682 4.281887 4.057230 6.775147 5.997144 7.090858 6.866857 7.471340 6.699265 6.646491 5.856015 7.539278 7.967986 8.117629 7.792186 7.637566 6.946382 0.961759 0.000000 4.170922 4.706236 6.306266 3.592124 3.602191 7.768739 7.265344 4.344722 7.362992 4.115319 3.737275 5.646474 4.789210 6.358607 6.161912 6.901177 6.056078 5.815889 5.348908 6.082865 6.549171 6.618641 6.608155 6.334555 5.841465 0.979485 1.532491 0.000000 4.871556 7.281484 1.861434 3.846644 4.048694 2.664258 3.030815 3.384456 2.945603 6.439450 6.298450 2.809535 3.012940 4.165060 4.116270 5.037143 4.459561 3.731967 5.124907 2.726080 1.759592 3.248339 3.949292 3.410637 4.266013 8.077799 8.700834 7.405754 0.000000 5.807220 8.112447 2.544034 4.755037 4.999987 3.133848 3.649548 4.234852 3.503650 7.300465 7.143647 3.514088 3.851018 4.931520 4.883186 5.746700 5.167770 4.451700 5.904577 3.327789 2.355823 3.641107 4.592192 4.058640 5.035456 9.015382 9.633270 8.322034 0.962129 0.000000 4.462004 7.204174 2.391486 4.025709 3.981530 1.677482 2.125225 3.622659 2.077610 6.367537 6.377250 3.259013 3.377232 3.493410 3.628771 4.305114 4.307849 3.757858 5.001451 2.986258 2.146124 3.649247 3.399419 3.085807 3.722657 8.084390 8.735256 7.508657 0.993213 1.564765 0.000000 2.710094 3.331132 6.097928 4.071042 3.395822 6.474012 5.720276 4.895297 6.209171 2.793054 3.249328 5.553653 4.867777 4.341486 4.296861 4.535399 4.633941 4.869142 3.894924 6.450237 6.678275 7.280872 5.869401 6.007799 4.935466 2.767883 3.107177 3.065108 7.059609 8.014817 6.789271 0.000000 2.989342 2.382981 5.616749 3.952973 3.395829 6.389636 5.585971 4.856007 6.257236 1.819288 2.343226 4.983678 4.403856 4.107627 3.847730 4.335408 3.893554 4.168540 3.066922 6.471689 6.579986 7.314771 6.156948 6.217638 5.273076 3.124519 3.293176 3.219224 6.773443 7.712035 6.563960 0.976412 0.000000 3.107471 3.718904 6.337556 3.965383 3.444607 7.008734 6.330578 4.795077 6.668371 3.179874 3.370963 5.744751 4.973024 5.091093 5.015057 5.390702 5.219463 5.312282 4.454346 6.441285 6.774150 7.194115 6.126542 6.158494 5.209628 1.789521 2.198398 2.175280 7.342298 8.302804 7.174231 0.979662 1.546230 0.000000 4.328216 4.823948 5.066485 2.641285 3.119739 7.196701 6.798357 3.343888 6.878789 4.113334 3.437295 4.385553 3.568853 6.146336 5.812371 6.864297 5.468651 4.975553 4.925454 5.091093 5.459213 5.536625 6.309334 5.813556 5.713598 2.741918 3.114163 1.767003 6.276727 7.126649 6.580066 4.030859 3.868318 3.407365 0.000000 3.609496 4.901945 4.287381 1.663281 2.224399 6.256985 5.910058 2.363536 5.919323 4.066279 3.494774 3.716056 2.813700 5.409549 5.144896 6.186657 4.967793 4.410485 4.554685 4.137234 4.500682 4.643011 5.368077 4.847801 4.816066 3.177643 3.731223 2.278436 5.362860 6.228480 5.639711 3.910916 3.779804 3.450616 0.990248 0.000000 5.094717 5.703744 5.462640 3.132367 3.768099 7.750745 7.444647 3.627277 7.398369 5.021347 4.280578 4.833391 4.050675 6.946119 6.621519 7.707601 6.246113 5.663348 5.763093 5.216441 5.647808 5.501645 6.733488 6.140588 6.227182 3.334751 3.677557 2.376296 6.597460 7.386277 7.002842 4.950275 4.826145 4.271528 0.962617 1.561180 0.000000 5.163885 3.119904 4.541052 3.768665 4.151663 7.331984 6.747486 4.615583 7.376292 2.689212 1.702498 3.582228 3.301954 5.790049 5.067133 6.404816 4.008277 3.644340 3.388353 6.280038 6.215696 6.857093 7.481636 7.055229 6.896138 4.383734 4.294029 3.695846 6.276426 7.049812 6.608832 4.465387 3.724559 4.274845 2.742233 3.000595 3.307792 0.000000 5.137908 3.532845 3.720950 3.514218 3.994550 6.777883 6.251664 4.259360 6.893747 3.008836 2.117761 2.754297 2.640986 5.467664 4.702222 6.153150 3.559437 3.023987 3.150686 5.777578 5.596544 6.339256 7.151575 6.672187 6.662110 5.064404 5.098991 4.313262 5.511219 6.232319 5.913022 4.914944 4.164533 4.829308 3.105105 3.103767 3.593865 0.962769 0.000000 0.978933 4.691631 4.146051 3.046738 2.125275 3.398936 2.691129 3.442216 3.161628 3.857809 4.267462 4.076977 3.525639 1.783265 2.241789 2.354325 3.452931 3.515110 3.396853 4.350277 4.347355 5.301065 3.284721 3.549892 2.500571 5.071801 5.706711 4.893868 4.492174 5.401262 3.973029 3.092187 3.153942 3.688720 4.904768 4.165819 5.702388 5.262823 5.128327 0.000000 4.785066 3.639210 4.601279 3.206468 3.656138 7.241061 6.717868 4.047100 7.157823 3.064457 2.149990 3.710078 3.193448 5.859111 5.265656 6.527939 4.464565 4.024874 3.859281 5.781968 5.859876 6.317940 7.033419 6.571346 6.439075 3.675817 3.701184 2.880288 6.192516 7.004333 6.531246 4.183703 3.616637 3.825595 1.767871 2.135778 2.350121 0.980706 1.534778 5.054370 0.000000 0.986952 4.231981 5.033469 3.024741 2.112922 4.900293 4.244130 3.653391 4.538099 3.430335 3.796358 4.720460 3.980955 3.186949 3.398663 3.580835 4.177962 4.247988 3.753199 4.969120 5.197582 5.844758 4.151413 4.329286 3.225015 3.611558 4.260606 3.597892 5.656000 6.606855 5.300095 1.726883 2.113196 2.193725 4.059874 3.532246 4.911865 4.808429 4.953836 1.561466 4.444741 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0571,-.6969,-1.8204;-3.216,2.6916,-.5357;1.6535,1.0413,2.0231;-.0855,-1.1776,.8013;-.0225,-1.0005,-.1735;3.7629,.6412,-1;2.962,1.1206,-1.2951;.7174,-1.686,1.026;3.5763,-.2872,-1.2454;-2.5491,2.0102,-.4036;-2.7253,1.6407,.4967;.6907,1.1779,2.0805;.3282,.378,1.6491;1.3693,1.7305,-1.7904;.8741,2.2428,-1.094;1.3222,2.2557,-2.5951;.0263,2.9512,.1224;.2754,2.3627,.8715;-.8945,2.699,-.0855;2.4606,-2.1821,1.2308;2.8505,-1.3157,1.4832;2.799,-2.8245,1.862;2.9524,-1.9992,-1.5201;2.8217,-2.1939,-.5732;2.0664,-1.7872,-1.8369;-3.9449,-2.0516,-.895;-4.7923,-1.6207,-.7492;-3.4861,-1.9798,-.0326;3.3409,.3689,1.6165;4.1479,.5486,2.1087;3.5537,.5379,.6612;-2.5475,-.0845,-2.2511;-2.5955,.6685,-1.6314;-3.0487,-.7994,-1.8066;-2.598,-1.6563,1.4603;-1.6348,-1.5956,1.2387;-2.6682,-2.2964,2.1759;-2.8872,1.0024,2.0666;-2.0372,1.2305,2.4571;.51,.1698,-1.8657;-2.835,.0339,1.921;-.8868,-.5068,-2.0372; 0.4133058 0.2380745 0.2283223 -19.12955 -19.12850 -19.12675 -19.12587 -19.12556 -19.12358 -19.12225 -19.12139 -19.11552 -19.11296 -19.11267 -19.11091 -19.10969 -19.10915 -1.03165 -1.02797 -1.02280 -1.01943 -1.01476 -1.01448 -1.01335 -1.00803 -1.00667 -1.00387 -0.99612 -0.99266 -0.98902 -0.98464 -0.55011 -0.54478 -0.53734 -0.53551 -0.53343 -0.53240 -0.53094 -0.53033 -0.52553 -0.52389 -0.52318 -0.52279 -0.52071 -0.51985 -0.44573 -0.43401 -0.43052 -0.42752 -0.42171 -0.41121 -0.40274 -0.39888 -0.39782 -0.39050 -0.38571 -0.38167 -0.37701 -0.36422 -0.33198 -0.32933 -0.32698 -0.32570 -0.32543 -0.32291 -0.32181 -0.32089 -0.31750 -0.31726 -0.31580 -0.31499 -0.31127 -0.31017 -0.00035 0.02469 0.03835 0.04323 0.05989 0.06097 0.07247 0.07855 0.08580 0.09241 0.10825 0.10870 0.11227 0.11603 0.11934 0.12395 0.13554 0.13732 0.13868 0.14121 0.14800 0.15207 0.16043 0.16136 0.16341 0.16954 0.17631 0.18447 0.18966 0.19363 0.19513 0.19923 0.20419 0.20662 0.20892 0.21317 0.21810 0.22363 0.22903 0.23037 0.23781 0.23829 0.24263 0.24545 0.24823 0.25751 0.26260 0.26543 0.26877 0.27107 0.27415 0.27577 0.27904 0.28250 0.28822 0.28927 0.29509 0.29623 0.29937 0.30233 0.30800 0.31309 0.31588 0.31874 0.32618 0.33178 0.34180 0.34949 0.36270 0.37505 0.38670 0.41857 0.42814 0.44858 0.45352 0.45990 0.47133 0.47379 0.48021 0.48750 0.49274 0.50222 0.50936 0.51511 0.52522 0.53109 0.53719 0.54612 0.56002 0.56394 0.57122 0.57678 0.59072 0.59669 0.59812 0.60414 0.60944 0.61964 0.62677 0.63102 0.63721 0.64911 0.65384 0.66730 0.67024 0.67285 0.67906 0.68356 0.70288 0.71222 0.72801 0.74629 0.93507 0.94394 0.96068 0.96579 0.97212 0.97311 0.98399 0.98672 0.99316 1.00128 1.00982 1.02003 1.02872 1.03222 1.03731 1.04300 1.05020 1.05564 1.06030 1.06509 1.06887 1.07807 1.07983 1.08754 1.09127 1.09890 1.10507 1.10914 1.11112 1.11488 1.12191 1.12872 1.13765 1.13932 1.14267 1.15031 1.15416 1.16058 1.16843 1.17456 1.19320 1.21388 1.23286 1.24050 1.24588 1.25863 1.27501 1.28234 1.29265 1.29563 1.30309 1.31188 1.31936 1.32688 1.33333 1.33676 1.34297 1.35476 1.36116 1.36696 1.37531 1.38719 1.39383 1.40085 1.40799 1.41134 1.43135 1.44050 1.44394 1.45633 1.46686 1.47648 1.48146 1.49341 1.49671 1.50909 1.51885 1.52529 1.53585 1.54761 1.55758 1.55930 1.57945 1.58952 1.59315 1.60199 1.61175 1.62005 1.63278 1.63846 1.65324 1.67567 1.68319 1.68537 1.69418 1.70447 1.71433 1.72196 1.73471 1.74042 1.75719 1.75970 1.77117 1.78312 1.78639 1.79717 1.80885 1.82165 1.83463 1.84458 1.87273 1.88638 2.02125 2.03474 2.04555 2.04918 2.05802 2.06496 2.08081 2.13434 2.22918 2.27251 2.28553 2.29383 2.30962 2.31360 2.33526 2.34025 2.34630 2.36763 2.37598 2.38837 2.39720 2.41999 2.43675 2.44536 2.47635 2.48284 2.49693 2.52523 2.54931 2.59424 2.60354 2.61440 2.62083 2.64662 2.67239 2.68381 2.69068 2.70776 2.72160 2.72936 2.73252 2.73877 2.75349 2.76018 2.77561 2.78745 2.79790 2.81211 2.82646 2.84569 2.85274 2.86853 2.88102 2.90289 2.92428 2.94088 3.06986 3.07380 3.07874 3.08379 3.08732 3.09235 3.09713 3.10055 3.10527 3.11163 3.12108 3.12547 3.13117 3.13186 3.13566 3.14331 3.14752 3.15166 3.15607 3.16313 3.17594 3.17925 3.18210 3.18449 3.19011 3.20635 3.21764 3.22219 3.29371 3.30648 3.30873 3.31730 3.32036 3.33406 3.33997 3.34020 3.34711 3.35254 3.36504 3.37482 3.38168 3.41164 3.67614 3.69005 3.69647 3.69985 3.71564 3.72229 3.72648 3.73528 3.74777 3.76551 3.77444 3.78500 3.79060 3.80852 3.90872 3.91293 3.91580 3.92334 3.93501 3.93970 3.94581 3.95095 3.95141 3.95813 3.96510 3.98875 3.99781 4.01038 5.01153 5.01960 5.02287 5.03236 5.03825 5.04409 5.04581 5.05531 5.06391 5.07368 5.07572 5.08578 5.11048 5.15548 5.37868 5.39707 5.40877 5.43300 5.44953 5.45414 5.46675 5.47301 5.47933 5.48142 5.50259 5.50743 5.52101 5.56856 5.66603 5.67042 5.67611 5.68032 5.68544 5.69315 5.69738 5.70213 5.73671 5.74165 5.75720 5.76125 5.77311 5.78052 49.88789 49.90216 49.91091 49.91926 49.92119 49.93122 49.93762 49.94232 49.94970 49.96136 49.96321 49.97154 49.97998 50.00133 1-A. -1.2019 -1.1752 7.4745 7.6612 -89.1792 -99.0719 -101.0092 -7.1758 11.2511 -29.0951 7.2409 -2.6518 -4.5891 -7.1758 11.2511 -29.0951 -75.2276 -21.3921 39.1220 -12.1014 12.9345 111.7909 47.1190 -2.2738 29.4796 4.9172 -3340.0242 -1679.8243 -1429.9639 -54.5461 448.6208 -144.8441 -239.7738 -21.8671 -186.7851 -843.8851 -883.3625 -418.1759 -194.2472 31.7313 54.2884 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8833,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0288;-2.2141,-.6217,-.0902; 0.000000 5.095348 0.000000 4.494080 5.751835 0.000000 2.753499 5.374586 3.088321 0.000000 1.769489 5.147135 3.414682 0.985214 0.000000 3.786771 7.346658 3.664843 4.433984 3.987316 0.000000 3.284364 6.531421 3.598169 4.298304 3.732804 0.980415 0.000000 3.198958 6.298136 3.059922 0.979116 1.570551 4.141422 4.226233 0.000000 3.305252 7.456017 3.940100 4.011349 3.513828 0.980042 1.542532 3.644750 0.000000 4.220908 0.965202 4.917154 4.441641 4.198021 6.473298 5.692561 5.355027 6.544666 0.000000 4.481365 1.559438 4.487992 4.071424 4.049926 6.572948 5.890279 4.977516 6.630522 0.988033 0.000000 4.269336 4.889593 0.977753 2.765699 3.130513 4.259176 4.012025 3.031034 4.455520 4.069658 3.558773 0.000000 3.560032 4.842522 1.536219 1.783895 2.215787 4.152458 3.925373 2.148534 4.132405 3.944198 3.455377 0.984129 0.000000 2.786290 5.072321 4.054953 4.392960 3.674246 2.771730 1.798031 4.710612 3.079411 4.331043 4.761441 4.060014 3.970751 0.000000 3.158181 4.351431 3.600693 4.282217 3.706119 3.300717 2.376710 4.708370 3.696751 3.634446 4.016893 3.468004 3.534118 0.991798 0.000000 3.391376 5.308866 4.957697 5.291914 4.522327 3.403737 2.446806 5.638539 3.748361 4.690923 5.267718 4.944942 4.896527 0.964879 1.568815 0.000000 4.164614 3.428027 3.203154 4.395690 4.135270 4.501983 3.734593 4.953192 4.938856 2.812925 2.963730 2.769895 3.151415 2.695378 1.709544 3.177846 0.000000 4.034495 3.804777 2.274271 3.699744 3.613758 4.227853 3.616714 4.193384 4.607528 3.066716 2.923735 1.787296 2.256135 2.990289 2.120856 3.688905 0.984534 0.000000 4.040249 2.462592 3.763553 4.341493 4.058427 5.157127 4.353518 5.054125 5.458293 1.851612 2.134819 3.124341 3.319150 3.082630 2.168501 3.496018 0.978174 1.544653 0.000000 4.352147 7.898555 3.439785 2.773943 3.129198 3.778262 4.273593 1.814533 3.261153 6.944315 6.586867 3.887844 3.320627 5.375428 5.527051 6.289149 5.961921 5.171253 6.305349 0.000000 4.557438 7.759687 2.751977 3.058566 3.397213 3.307004 3.838975 2.231193 3.033490 6.818211 6.456490 3.388615 3.047918 5.048951 5.125613 5.969118 5.481743 4.670939 5.950835 0.982458 0.000000 5.250847 8.683394 4.081686 3.471560 3.953807 4.607950 5.177291 2.501155 4.103072 7.740799 7.311134 4.546496 4.026123 6.332804 6.464458 7.246567 6.813351 5.977112 7.154856 0.964643 1.563737 0.000000 2.880678 7.732300 4.762394 3.510696 2.989411 2.838534 3.162448 3.060491 1.867633 6.794195 6.834454 5.076693 4.418794 4.139640 4.756123 4.811747 5.913072 5.505503 6.180149 2.828652 3.193797 3.575311 0.000000 3.247277 7.761777 4.254792 3.034039 2.781448 3.022038 3.452574 2.372899 2.149918 6.802019 6.700961 4.613261 3.941076 4.522985 4.978249 5.310432 5.900949 5.346004 6.191192 1.867515 2.347252 2.604387 0.976302 0.000000 1.931883 6.884432 4.607242 3.004716 2.291486 3.054631 3.075154 2.820165 2.191617 5.960784 6.055257 4.744056 4.017977 3.626074 4.207366 4.298780 5.349464 5.007681 5.496312 3.178967 3.540045 4.011506 0.973608 1.543847 0.000000 4.480236 4.827671 6.784288 4.164640 4.091391 7.958482 7.504289 4.970661 7.469079 4.386329 4.250978 6.048052 5.254111 6.712135 6.544300 7.245148 6.451501 6.213483 5.749159 6.712502 7.188469 7.237963 6.550940 6.471475 5.712116 0.000000 5.288350 4.755491 7.403535 4.972278 4.936531 8.764360 8.259526 5.813943 8.325906 4.497660 4.360366 6.598540 5.883254 7.342640 7.095808 7.825507 6.849115 6.670523 6.063067 7.581818 8.017344 8.095761 7.483459 7.403839 6.628863 0.965054 0.000000 4.419174 4.686650 6.073593 3.534413 3.663660 7.607625 7.204926 4.343729 7.157032 4.162418 3.824161 5.321964 4.539180 6.536756 6.288788 7.167679 6.045893 5.685788 5.402934 6.106780 6.544933 6.591609 6.323167 6.111822 5.541264 0.982775 1.547060 0.000000 4.928848 7.375245 1.868043 3.868215 4.059329 2.719533 3.150993 3.390927 3.024651 6.496220 6.193750 2.810636 2.993596 4.384701 4.302682 5.248489 4.518317 3.766829 5.218073 2.764668 1.811329 3.329240 4.092334 3.548692 4.321442 7.951919 8.695686 7.304364 0.000000 5.846914 8.154789 2.562958 4.807403 5.022621 3.192147 3.727368 4.285975 3.620398 7.307846 6.994149 3.540190 3.862770 5.066802 4.982970 5.863002 5.150383 4.438446 5.927633 3.422149 2.445291 3.807347 4.812915 4.277587 5.149026 8.900651 9.634189 8.233324 0.965090 0.000000 4.423265 7.276034 2.341185 3.951962 3.898188 1.736157 2.231299 3.532304 2.158088 6.387896 6.233904 3.177055 3.258189 3.659705 3.750298 4.476735 4.317178 3.723744 5.040927 2.975629 2.163343 3.691728 3.525310 3.191155 3.764026 7.923867 8.696106 7.377129 0.990737 1.563774 0.000000 2.750790 3.360367 5.878845 3.959242 3.348735 6.290126 5.599871 4.832548 5.975753 2.802590 3.265420 5.220226 4.590136 4.387880 4.287966 4.712569 4.547794 4.657673 3.843956 6.473777 6.699832 7.276326 5.548893 5.774987 4.583038 2.795604 3.237560 3.092148 6.973557 7.912162 6.665724 0.000000 3.094020 2.412714 5.435461 3.949211 3.454281 6.250131 5.507401 4.877952 6.072289 1.824175 2.351395 4.696113 4.202950 4.188739 3.875182 4.535261 3.823971 3.981411 3.023737 6.545309 6.647605 7.359332 5.899611 6.044695 4.964593 3.163305 3.466697 3.244452 6.717474 7.628524 6.471980 0.979690 0.000000 3.203931 3.724054 6.102182 3.837201 3.400186 6.813647 6.212683 4.725136 6.421030 3.198174 3.419779 5.398213 4.682233 5.168470 5.040683 5.585895 5.152243 5.116996 4.433323 6.448752 6.774314 7.166570 5.782615 5.898700 4.841414 1.815695 2.309761 2.200944 7.241209 8.196257 7.035558 0.981078 1.551701 0.000000 4.604536 4.822775 4.806443 2.695106 3.262655 7.018195 6.729903 3.418465 6.668544 4.175862 3.503495 4.060725 3.348876 6.335972 5.958607 7.117013 5.459910 4.860997 4.999510 5.111849 5.428447 5.509807 6.064420 5.618112 5.436833 2.760832 3.207068 1.784813 6.130739 6.995807 6.407039 4.037146 3.879822 3.419056 0.000000 3.862693 4.977914 4.105376 1.719026 2.360909 6.098755 5.867090 2.441081 5.716223 4.191553 3.605385 3.467961 2.627362 5.633408 5.340245 6.462838 5.034375 4.376724 4.703733 4.170572 4.502844 4.632709 5.107816 4.639594 4.519666 3.098763 3.751633 2.228577 5.277253 6.167225 5.512083 3.873111 3.783328 3.398986 0.987504 0.000000 5.372365 5.705975 5.223013 3.188844 3.902158 7.578176 7.387656 3.706962 7.195551 5.093020 4.360361 4.553763 3.873426 7.151196 6.787386 7.968481 6.260914 5.585188 5.860095 5.223946 5.599985 5.456738 6.500063 5.949646 5.970586 3.330215 3.718378 2.372364 6.452163 7.266029 6.832487 4.952472 4.838007 4.275455 0.965427 1.559955 0.000000 5.213087 3.211166 3.939242 3.774271 4.172680 6.837430 6.357007 4.544348 6.878068 2.737344 1.757265 2.970825 2.948319 5.665538 4.913260 6.356624 3.702618 3.208425 3.231294 6.053862 5.903311 6.608338 7.025724 6.649084 6.391769 4.615769 4.763283 3.867323 5.752247 6.487355 6.067567 4.496975 3.755564 4.374741 2.791860 3.006461 3.383181 0.000000 4.971374 3.658027 3.010082 3.417539 3.851995 6.094269 5.670285 4.069526 6.202737 3.044548 2.179528 2.054473 2.215579 5.161787 4.400392 5.914490 3.183206 2.510849 2.957914 5.413251 5.148126 5.983420 6.516112 6.098689 5.968723 5.159998 5.447978 4.386898 4.849647 5.551189 5.206298 4.774649 4.058314 4.766520 3.136459 3.062869 3.687311 0.970504 0.000000 0.980729 4.906200 4.189427 3.196718 2.278939 3.232649 2.550621 3.608760 2.975077 4.048112 4.397338 4.030155 3.513887 1.808123 2.256631 2.434649 3.488718 3.487620 3.498528 4.598098 4.600103 5.547178 3.132167 3.540868 2.320243 5.204681 5.940736 5.101528 4.608263 5.476501 4.002804 3.126713 3.243785 3.767138 5.136751 4.400127 5.941767 5.238689 4.896741 0.000000 4.928235 3.672064 4.105703 3.239156 3.730918 6.859643 6.445597 4.029239 6.762585 3.108705 2.194802 3.178387 2.863435 5.857655 5.229757 6.598930 4.273856 3.709909 3.793489 5.638680 5.639454 6.142850 6.655962 6.240997 6.016488 3.875873 4.091922 3.038612 5.793900 6.587997 6.115467 4.219457 3.646586 3.915655 1.819784 2.148699 2.420619 0.980700 1.540374 5.133439 0.000000 0.986538 4.401203 4.918310 2.999296 2.109193 4.675575 4.078743 3.667229 4.265141 3.588899 3.927347 4.505500 3.795515 3.215026 3.399705 3.707418 4.159820 4.124911 3.806324 5.069993 5.295756 5.935015 3.818451 4.127255 2.852771 3.735913 4.472562 3.788011 5.638499 6.574736 5.210974 1.767970 2.209676 2.280260 4.247284 3.675654 5.092995 4.852491 4.787320 1.563600 4.554299 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1819,-.2176,-2.0724;-3.4342,2.6757,.0525;1.4914,.5755,2.1529;-.0128,-1.4564,.379;.0852,-1.0382,-.5077;3.6125,.7933,-.8278;2.8689,1.3841,-1.0713;.8216,-1.9408,.5457;3.3786,-.0612,-1.2468;-2.6748,2.0809,.0185;-2.6909,1.5715,.865;.5179,.6466,2.095;.277,-.0862,1.4839;1.3632,2.2488,-1.5385;.8387,2.5813,-.7653;1.368,2.9573,-2.1934;-.0669,2.9311,.6419;.1563,2.1482,1.1955;-.9949,2.7726,.3765;2.5455,-2.4243,.8405;2.8975,-1.6323,1.3032;2.8327,-3.1941,1.3459;2.6648,-1.6659,-1.8819;2.6274,-2.0591,-.9891;1.7681,-1.32,-2.0373;-3.8408,-1.975,-1.1772;-4.7701,-1.7567,-1.0357;-3.4428,-1.9992,-.279;3.252,.081,1.7719;4.0345,.2913,2.2962;3.4348,.4152,.8573;-2.52,.2948,-2.1356;-2.6102,.9309,-1.396;-3.0001,-.5058,-1.8339;-2.5238,-1.9069,1.2483;-1.5853,-1.8592,.9445;-2.5789,-2.6809,1.8227;-2.4422,.6588,2.3459;-1.4916,.7764,2.502;.5778,.6691,-1.9347;-2.5247,-.2711,2.0457;-.7878,-.0587,-2.1591; 0.3961147 0.2485018 0.2360929 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.70D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 -4.72875963e-01 -4.62342303e-01 2.94069976e+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 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 -0.001783886 0.002511838 0.001940977 -0.000295606 -0.002565042 -0.001374177 0.000093235 0.001359670 0.003081514 0.001065026 -0.000684428 -0.000628019 -0.000374450 0.000549382 0.000167712 0.000898835 -0.000237774 0.002726525 -0.000993620 -0.002018406 -0.001809774 0.000212958 0.001012130 0.001427300 -0.001547449 0.001405479 -0.000086983 -0.001341623 0.000113771 0.002180353 0.000436040 0.000429627 -0.000737887 0.002428353 -0.001683765 -0.002190879 -0.002545187 0.001971282 -0.001154600 0.000022291 0.001549617 0.001104913 -0.000171962 -0.000482401 0.000122332 -0.001521676 -0.002334580 0.000993110 0.001911476 -0.002241820 0.000945451 0.001083257 0.001280345 -0.000158664 -0.001484651 -0.000377998 -0.002600707 -0.002344165 -0.000476135 -0.000668825 0.001876952 -0.000985844 0.000670729 0.000640486 0.002865541 0.000166454 -0.000831903 0.000193519 0.003214840 0.002405585 0.001996664 -0.001770555 -0.001806382 -0.002625366 -0.003585975 -0.002970619 0.000580916 0.001579174 -0.000634199 -0.001635371 -0.003661594 0.003279130 0.001421901 0.000825041 0.000243973 -0.000058254 -0.002551328 0.002235171 0.000525455 0.001864527 0.000082026 -0.000309409 0.000496380 -0.002816072 -0.001013796 0.001292593 0.003021874 -0.001657078 -0.000701924 -0.000546893 0.001432360 -0.001444103 -0.001073700 -0.001045718 -0.001855832 0.000511112 -0.000114163 0.001830405 0.000723273 0.002382425 -0.001364294 0.000018516 -0.001837497 -0.002183395 0.003043423 0.000440421 0.002420519 0.000727185 -0.001814343 0.001541939 -0.001699254 0.002517479 -0.000104039 -0.000176879 -0.000340635 0.000040767 0.003661594 0.001629372 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.74551272554 -1070.74551587640 -0.000003150857 -1070.74551588433 -0.000000007938 -1070.74551590994 -0.000000025610 -1070.74551591159 -0.000000001652 -1070.74551591162 -0.000000000022 -1070.74551591 6 1.067086000494e+03 -5.117077211611e+03 1.686199335293e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT43781.700S Tue Nov 5 07:14:29 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.896278 0.331986 0.393881 -0.836727 0.445557 -0.767335 0.392914 0.421130 0.373665 -0.752637 0.434056 -0.758661 0.355444 -0.804279 0.445903 0.341367 -0.801262 0.411682 0.385328 -0.755748 0.399318 0.358996 -0.695245 0.376473 0.336219 -0.731082 0.309134 0.413428 -0.787196 0.346697 0.431785 -0.797801 0.378372 0.415287 -0.754911 0.419664 0.339084 -0.713775 0.317794 0.409016 0.404324 0.464433 -0.00000 -19.13172 -19.13080 -19.12861 -19.12816 -19.12684 -19.12266 -19.12153 -19.12019 -19.11698 -19.11544 -19.11428 -19.11352 -19.11290 -19.11058 -1.03073 -1.02555 -1.02229 -1.01855 -1.01487 -1.01313 -1.01003 -1.00850 -1.00390 -1.00276 -0.99714 -0.99268 -0.99022 -0.98723 -0.55086 -0.54491 -0.53998 -0.53729 -0.53589 -0.53390 -0.53318 -0.53055 -0.52832 -0.52258 -0.52190 -0.52042 -0.51678 -0.51652 -0.44834 -0.43415 -0.42969 -0.42566 -0.42125 -0.40491 -0.40224 -0.40074 -0.39647 -0.38804 -0.38267 -0.38121 -0.37752 -0.36516 -0.33302 -0.33100 -0.32791 -0.32716 -0.32489 -0.32345 -0.32235 -0.32020 -0.31962 -0.31842 -0.31779 -0.31476 -0.31302 -0.31169 -0.00039 0.02522 0.03625 0.04599 0.05893 0.06076 0.07667 0.07740 0.08641 0.09380 0.10881 0.11053 0.11185 0.11562 0.11902 0.12228 0.13459 0.13571 0.13855 0.14153 0.14736 0.15352 0.16104 0.16300 0.16490 0.17625 0.17713 0.18135 0.18813 0.19087 0.19335 0.19522 0.20071 0.20816 0.21208 0.21535 0.21750 0.22341 0.22728 0.23092 0.23482 0.23766 0.24506 0.24848 0.24876 0.25593 0.25932 0.26128 0.26416 0.26794 0.27041 0.27401 0.27531 0.28294 0.28351 0.28554 0.28854 0.28973 0.29272 0.29871 0.30020 0.30340 0.30406 0.31476 0.31934 0.32067 0.33021 0.34635 0.35335 0.36335 0.38144 0.40053 0.42626 0.43229 0.44724 0.45532 0.46558 0.46640 0.47599 0.48075 0.48892 0.50612 0.51206 0.52025 0.52700 0.52978 0.53514 0.54529 0.55305 0.55984 0.56629 0.57584 0.58306 0.58971 0.59385 0.61078 0.61942 0.61979 0.62686 0.63394 0.63472 0.64185 0.65428 0.65600 0.66427 0.66915 0.67409 0.68651 0.69099 0.69900 0.71029 0.73595 0.94078 0.94680 0.96130 0.96589 0.97211 0.97861 0.98578 0.99456 0.99974 1.00326 1.01323 1.02405 1.03014 1.03540 1.03894 1.04657 1.05012 1.05673 1.06462 1.06549 1.06899 1.07303 1.07631 1.08047 1.08404 1.09013 1.09137 1.10149 1.10186 1.11461 1.11659 1.11754 1.12307 1.13238 1.13862 1.14261 1.14815 1.15128 1.16043 1.17817 1.18625 1.20565 1.22934 1.25339 1.26544 1.27370 1.27906 1.28666 1.29340 1.30128 1.31058 1.31613 1.32338 1.32787 1.33250 1.34291 1.34976 1.35631 1.36699 1.37107 1.38214 1.39401 1.39786 1.40265 1.41088 1.41471 1.42320 1.43039 1.44514 1.45329 1.46415 1.46903 1.48064 1.48925 1.49643 1.49954 1.50993 1.52126 1.53647 1.54344 1.55070 1.56583 1.56852 1.58210 1.59606 1.60638 1.61798 1.62635 1.63729 1.64043 1.66076 1.66524 1.68434 1.69097 1.69643 1.70544 1.71171 1.73104 1.73748 1.74849 1.75800 1.76555 1.77514 1.78090 1.79170 1.79541 1.80296 1.81350 1.83135 1.84231 1.86967 1.87947 2.02012 2.03682 2.04445 2.05011 2.05410 2.06103 2.15933 2.17677 2.23634 2.25829 2.26701 2.27246 2.28025 2.30718 2.32435 2.33042 2.35368 2.36477 2.37617 2.38190 2.39589 2.40950 2.41476 2.42984 2.44233 2.45583 2.47753 2.49192 2.52907 2.56281 2.57611 2.58433 2.58928 2.61327 2.67124 2.67815 2.69060 2.69647 2.70432 2.71766 2.73230 2.74381 2.75315 2.76140 2.76823 2.77441 2.78665 2.79629 2.80594 2.83711 2.83741 2.85051 2.87198 2.88493 2.90500 2.93110 3.06987 3.07033 3.07684 3.08493 3.08974 3.09233 3.09864 3.10130 3.10394 3.10493 3.11554 3.12455 3.12860 3.13109 3.13237 3.13523 3.14426 3.14833 3.16127 3.16184 3.16677 3.17131 3.17688 3.18217 3.18879 3.19879 3.20391 3.21844 3.29837 3.30529 3.30704 3.31220 3.31869 3.32982 3.33274 3.34147 3.34642 3.35374 3.35759 3.36538 3.38787 3.41135 3.68568 3.69456 3.69985 3.70488 3.71255 3.72711 3.73052 3.74831 3.75070 3.75152 3.76299 3.77848 3.78799 3.81951 3.90315 3.91191 3.91590 3.92096 3.92488 3.92947 3.93830 3.94683 3.94859 3.95584 3.95899 3.98606 4.00191 4.03951 5.00894 5.01552 5.02408 5.03102 5.03535 5.03957 5.04382 5.04938 5.05584 5.07058 5.07599 5.07943 5.08731 5.13108 5.36291 5.38065 5.39139 5.43448 5.43931 5.44443 5.46118 5.46342 5.47240 5.48513 5.48747 5.51402 5.52944 5.59534 5.65339 5.65958 5.66907 5.67404 5.67607 5.68008 5.68290 5.71510 5.72938 5.74844 5.75593 5.76421 5.78447 5.81313 49.87891 49.89827 49.90709 49.91559 49.92011 49.92355 49.93018 49.93564 49.93740 49.95511 49.95814 49.96587 49.96892 49.99082 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.851697 0.338990 0.439987 -0.796659 0.398318 -0.765028 0.393406 0.413070 0.368582 -0.746517 0.412761 -0.836368 0.375355 -0.787217 0.421091 0.350708 -0.751407 0.392824 0.360965 -0.763411 0.392627 0.369769 -0.729469 0.376836 0.364891 -0.743322 0.317298 0.413952 -0.768126 0.352513 0.415988 -0.791118 0.386603 0.403808 -0.738518 0.413320 0.336106 -0.734550 0.358512 0.396361 0.387841 0.450925 -0.00000 -5.08814044e-01 -9.79182224e-01 2.82475421e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.2933 -2.4888 7.1798 7.7082 -83.4058 -86.0319 -113.5368 -4.6725 13.7908 -27.9402 10.9190 8.2930 -19.2120 -4.6725 13.7908 -27.9402 -106.2205 -35.3963 37.7196 -8.8884 -10.6029 105.8755 51.6162 2.6368 23.1174 -7.8522 -2881.0525 -1542.0758 -1607.7307 -68.9157 392.9068 -128.4476 -306.7447 80.2701 -152.8521 -689.7981 -882.2459 -459.2092 -134.7603 -13.4194 86.3308 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1070.7455159 7.14E-9 1.363E-5 -17.8836663,16.8235506,1.0601157,15.8118714,12.2721482,-0.2509108 C01[X(H28O14)] 2.2021148 1.4731548 -1.4756122 0.000000179 -0.000000292 0.000004277 0.000008858 -0.000001705 -0.000004526 0.000013732 -0.000013387 0.000028252 0.000031778 0.000012430 0.000026776 -0.000038862 -0.000014306 -0.000027632 -0.000032048 0.000002490 -0.000011756 -0.000009224 0.000003387 0.000007709 -0.000022793 0.000006101 0.000006572 -0.000001632 -0.000015844 0.000010605 0.000008260 0.000013899 0.000022137 0.000004194 0.000000110 -0.000007408 -0.000022514 0.000005844 -0.000004999 0.000020597 -0.000002925 -0.000001509 0.000012826 0.000017510 0.000024246 -0.000005886 -0.000005910 -0.000014907 -0.000020660 -0.000004189 -0.000011465 -0.000005112 -0.000008369 0.000008408 0.000006382 0.000001591 0.000006856 0.000010541 -0.000010799 -0.000002471 -0.000014147 -0.000019967 0.000016903 -0.000008403 0.000013871 0.000015902 0.000000904 0.000004781 -0.000012399 0.000001708 -0.000014926 -0.000027758 -0.000025547 0.000009254 -0.000010654 -0.000005251 0.000013046 0.000011897 0.000022572 -0.000010954 0.000006339 0.000016593 0.000003582 -0.000021691 -0.000002720 0.000007658 -0.000020824 0.000006460 -0.000012643 -0.000000812 -0.000005578 -0.000000158 0.000006719 -0.000027955 0.000008408 0.000008715 0.000001349 0.000007631 -0.000001616 0.000003212 -0.000000932 -0.000013036 -0.000001849 -0.000001900 -0.000013340 0.000015643 -0.000006129 -0.000001110 0.000006260 0.000001668 0.000014666 0.000015695 0.000005862 0.000001998 0.000019375 0.000001963 -0.000020985 0.000013908 0.000002919 0.000032211 -0.000008180 -0.000008618 -0.000004832 0.000004443 0.000001836 -0.000001240 0.000012894 0.000008112 -0.000024219 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8834,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0287;-2.2141,-.6217,-.0902; Gaussian 16 GINC-GASCONES LAMSABHI Optimization 14H2O CONF91 water EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8833,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0288;-2.2141,-.6217,-.0902; Optimization 14H2O CONF91 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF91/opt-b3lyp.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 R45 R46 R47 R48 1 1 1 2 3 3 4 4 4 4 6 6 6 7 8 9 10 10 10 11 12 12 14 14 14 15 17 17 20 20 20 21 23 23 26 26 26 28 29 29 32 32 32 35 35 35 38 38 5 40 42 10 12 29 5 8 13 36 7 9 31 14 20 23 11 19 33 38 13 18 15 16 40 17 18 19 21 22 24 29 24 25 27 28 34 35 30 31 33 34 42 36 37 41 39 41 1.7695 0.9807 0.9865 0.9652 0.9778 1.868 0.9852 0.9791 1.7839 1.719 0.9804 0.98 1.7362 1.798 1.8145 1.8676 0.988 1.8516 1.8242 1.7573 0.9841 1.7873 0.9918 0.9649 1.8081 1.7095 0.9845 0.9782 0.9825 0.9646 1.8675 1.8113 0.9763 0.9736 0.9651 0.9828 1.8157 1.7848 0.9651 0.9907 0.9797 0.9811 1.768 0.9875 0.9654 1.8198 0.9705 0.9807 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 40 12 5 5 5 8 8 13 7 7 9 4 2 2 2 11 11 19 3 3 13 7 7 7 15 15 16 15 15 18 8 8 8 21 21 22 9 9 24 27 27 28 3 3 3 21 21 30 33 33 34 28 28 28 36 36 37 11 11 39 1 1 1 3 4 4 4 4 4 4 6 6 6 8 10 10 10 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 20 20 20 23 23 23 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 40 42 42 29 8 13 36 13 36 36 9 31 31 20 11 19 33 19 33 33 13 18 18 15 16 40 16 40 40 18 19 19 21 22 24 22 24 24 24 25 25 28 34 34 21 30 31 30 31 31 34 42 42 36 37 41 37 41 41 39 41 41 108.4887 95.6602 105.2739 161.0065 106.171 102.4331 119.1169 97.8192 127.4124 97.1719 103.7791 107.1393 101.5716 165.7245 105.9468 118.477 116.3314 92.393 109.8708 110.6915 103.0778 107.0004 105.2821 113.6754 121.694 90.0304 106.5918 103.5352 119.6705 100.3743 104.2461 103.8118 101.6581 125.4962 80.235 106.8528 106.7373 131.0195 92.8438 95.7954 104.6991 105.1649 108.4125 99.3784 96.8137 126.5601 105.8348 120.361 96.6813 106.1662 104.6282 103.304 108.685 103.215 115.9961 114.9094 106.0214 95.2702 117.3764 102.1946 102.8647 104.2667 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 1 1 6 6 10 4 14 12 10 20 20 26 6 10 26 4 1 35 1 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 42 5 7 9 11 13 15 18 19 21 24 28 31 33 34 36 40 41 42 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 32 4 14 23 38 12 17 17 17 29 23 35 29 32 32 35 14 38 32 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 17 2 3 2 3 2 4 1 1 1 1 1 2 4 3 2 2 3 17 -1 -1 -1 -1 -1 -1 -1 -1 -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 -2 176.4669 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 177.2879 171.2919 170.9129 184.4261 172.2395 175.7538 173.0262 162.6591 173.5671 171.7089 177.3778 176.6666 176.663 169.1529 180.3336 174.719 174.4544 179.8989 187.8942 184.2234 180.2235 182.1258 178.5159 178.5879 191.1945 180.4119 167.9853 178.8641 171.6325 181.4296 180.9993 181.4468 174.8448 171.9465 182.8011 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 40 40 40 42 42 42 5 5 5 42 42 42 5 5 40 40 29 29 12 12 12 5 13 36 5 5 8 8 36 36 5 5 5 8 8 8 13 13 13 9 9 9 31 31 31 7 7 31 31 7 7 7 9 9 9 4 4 4 2 2 11 11 33 33 2 2 11 11 19 19 2 2 19 19 33 33 3 3 13 13 7 7 16 16 40 40 8 8 21 21 22 22 8 8 8 22 22 22 24 24 24 27 27 28 28 27 27 27 34 34 34 28 28 36 36 37 37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 14 14 14 14 14 14 20 20 20 20 20 20 20 20 20 20 20 20 20 20 20 26 26 26 26 26 26 26 26 26 26 35 35 35 35 35 35 4 4 4 4 4 4 14 14 14 14 14 14 32 32 32 32 12 12 29 29 29 8 8 8 12 12 12 12 12 12 35 35 35 35 35 35 35 35 35 14 14 14 14 14 14 23 23 23 23 29 29 29 29 29 29 20 20 20 17 17 17 17 17 17 32 32 32 32 32 32 38 38 38 38 38 38 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 29 29 29 29 29 29 29 29 29 32 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 8 13 36 8 13 36 7 15 16 7 15 16 33 34 33 34 13 18 21 30 31 20 20 20 3 18 3 18 3 18 28 37 41 28 37 41 28 37 41 15 16 40 15 16 40 24 25 24 25 3 21 30 3 21 30 21 22 24 15 18 15 18 15 18 34 42 34 42 34 42 39 41 39 41 39 41 15 19 15 19 18 19 18 19 18 19 9 25 9 25 9 25 3 30 31 3 30 31 3 30 31 33 42 33 42 36 37 41 36 37 41 11 39 11 39 11 39 -88.8601 13.357 117.6652 163.4069 -94.376 9.9322 65.3938 -48.6331 -167.4972 166.3594 52.3325 -66.5316 67.0603 -42.7617 -42.7573 -152.5794 14.4611 -96.2696 -38.3162 -174.5651 60.6403 63.6483 -41.7837 -147.0732 -86.8856 24.3699 21.2217 132.4772 150.5892 -98.1553 24.3386 149.3525 -91.0775 -124.6869 0.327 119.897 130.795 -104.1911 15.3789 118.9223 -108.8547 15.3829 14.0198 146.2428 -89.5196 -116.3548 -11.5487 -7.2564 97.5497 14.0198 111.4553 -125.122 -93.3418 4.0938 127.5164 29.9976 150.7111 -75.2424 -122.4882 135.3415 129.2495 27.0792 18.549 -83.6213 -89.2077 157.8625 31.5719 -81.3579 131.493 18.5631 -133.4389 119.5314 -13.9075 -120.9371 97.0727 -9.9569 55.1134 161.8075 -53.6236 53.0705 -34.2269 -140.606 -173.1391 80.4818 59.5252 -46.854 100.2513 5.3064 0.6101 -94.3348 -129.66 135.3951 19.9029 161.8297 -86.153 -113.6513 28.2756 140.2928 100.4886 -117.5846 -5.5674 63.0174 171.7949 -46.1181 62.6594 -163.1028 82.02 -62.3929 -51.9115 -166.7887 48.7984 -24.8385 -129.1785 80.8775 -23.4625 -168.7217 86.9383 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00022 0.00036 0.00037 0.00067 0.00091 0.00106 0.00113 0.00142 0.00151 0.00163 0.00194 0.00206 0.00241 0.00250 0.00283 0.00308 0.00341 0.00346 0.00365 0.00379 0.00397 0.00447 0.00477 0.00503 0.00510 0.00541 0.00575 0.00624 0.00634 0.00659 0.00681 0.00699 0.00753 0.00780 0.00795 0.00856 0.00865 0.00870 0.00904 0.00937 0.00982 0.01000 0.01039 0.01043 0.01069 0.01104 0.01134 0.01147 0.01166 0.01200 0.01228 0.01233 0.01270 0.01312 0.01323 0.01347 0.01361 0.01376 0.01431 0.01471 0.01484 0.01511 0.01536 0.01573 0.01643 0.01687 0.01759 0.01796 0.01808 0.01838 0.01910 0.01997 0.02137 0.02212 0.02608 0.02658 0.03463 0.03840 0.04155 0.04242 0.04357 0.04420 0.04519 0.04734 0.04824 0.05129 0.05408 0.05497 0.05855 0.06296 0.06923 0.07221 0.35696 0.36835 0.37127 0.37873 0.40024 0.41517 0.42424 0.42936 0.43339 0.43846 0.43993 0.44360 0.44981 0.45479 0.45546 0.45924 0.46719 0.47140 0.47207 0.47610 0.48222 0.49529 0.52657 0.52673 0.52674 0.52679 0.52809 0.52865 Angle between quadratic step and forces= 73.70 degrees. 1 2 3 0.00294502 0.00002456 0.00000000 0.00003116 0.00001374 0.00001374 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 R45 R46 R47 R48 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 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 3.34385 1.85331 1.86429 1.82397 1.84769 3.53009 1.86178 1.85026 3.37107 3.24849 1.85272 1.85201 3.28086 3.39779 3.42897 3.52932 1.86711 3.49904 3.44719 3.32075 1.85973 3.37750 1.87423 1.82336 3.41686 3.23057 1.86050 1.84848 1.85658 1.82291 3.52909 3.42292 1.84494 1.83985 1.82369 1.85718 3.43117 3.37281 1.82376 1.87222 1.85135 1.85397 3.34098 1.86611 1.82439 3.43889 1.83399 1.85325 1.89348 1.66959 1.83738 2.81009 1.85303 1.78780 2.07898 1.70727 2.22377 1.69597 1.81129 1.86993 1.77276 2.89244 1.84912 2.06781 2.03037 1.61256 1.91761 1.93193 1.79905 1.86751 1.83752 1.98401 2.12396 1.57133 1.86038 1.80703 2.08864 1.75186 1.81944 1.81186 1.77427 2.19032 1.40036 1.86493 1.86292 2.28672 1.62043 1.67195 1.82734 1.83547 1.89216 1.73448 1.68972 2.20889 1.84717 2.10070 1.68741 1.85295 1.82611 1.80300 1.89691 1.80144 2.02451 2.00555 1.85042 1.66278 2.04860 1.78363 1.79533 1.81980 3.07993 3.09426 2.98961 2.98299 3.21884 3.00615 3.06748 3.01988 2.83894 3.02932 2.99689 3.09583 3.08341 3.08335 2.95228 3.14741 3.04942 3.04480 3.13983 3.27937 3.21531 3.14549 3.17870 3.11569 3.11695 3.33697 3.14878 2.93190 3.12177 2.99555 3.16654 3.15903 3.16684 3.05162 3.00103 3.19048 -1.55090 0.23312 2.05365 2.85199 -1.64717 0.17335 1.14134 -0.84881 -2.92338 2.90352 0.91337 -1.16120 1.17042 -0.74633 -0.74626 -2.66301 0.25239 -1.68022 -0.66874 -3.04674 1.05837 1.11087 -0.72926 -2.56691 -1.51644 0.42533 0.37039 2.31216 2.62828 -1.71313 0.42479 2.60669 -1.58960 -2.17620 0.00571 2.09260 2.28280 -1.81848 0.26841 2.07559 -1.89987 0.26848 0.24469 2.55242 -1.56241 -2.03077 -0.20156 -0.12665 1.70256 0.24469 1.94526 -2.18379 -1.62912 0.07145 2.22558 0.52356 2.63041 -1.31323 -2.13782 2.36215 2.25583 0.47262 0.32374 -1.45947 -1.55697 2.75522 0.55103 -1.41996 2.29499 0.32399 -2.32895 2.08622 -0.24273 -2.11075 1.69424 -0.17378 0.96191 2.82407 -0.93591 0.92625 -0.59737 -2.45404 -3.02185 1.40467 1.03891 -0.81776 1.74971 0.09261 0.01065 -1.64645 -2.26299 2.36309 0.34737 2.82446 -1.50365 -1.98359 0.49350 2.44857 1.75386 -2.05224 -0.09717 1.09986 2.99839 -0.80491 1.09361 -2.84668 1.43152 -1.08896 -0.90603 -2.91101 0.85169 -0.43351 -2.25459 1.41158 -0.40950 -2.94475 1.51736 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00003 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 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 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00066 0.00006 0.00003 0.00002 -0.00002 0.00133 0.00005 0.00019 -0.00057 -0.00085 -0.00006 -0.00007 0.00002 0.00021 -0.00128 0.00050 -0.00004 -0.00023 0.00021 0.00095 0.00003 -0.00013 0.00001 0.00002 -0.00021 0.00043 0.00002 0.00003 -0.00004 0.00005 0.00354 0.00111 -0.00031 -0.00000 0.00002 -0.00004 -0.00034 0.00059 0.00001 0.00002 0.00001 0.00001 -0.00031 0.00014 0.00001 0.00011 0.00003 0.00002 -0.00213 -0.00057 0.00034 -0.00263 0.00005 0.00254 -0.00201 0.00156 -0.00084 0.00131 0.00015 -0.00010 0.00091 0.00317 -0.00015 -0.00131 -0.00202 0.00131 0.00062 0.00231 -0.00020 0.00077 -0.00047 0.00166 0.00128 0.00022 -0.00012 0.00053 -0.00377 -0.00093 -0.00002 -0.00020 -0.00318 -0.01241 -0.00233 -0.00040 0.00254 0.01279 0.00131 -0.00039 0.00020 0.00001 0.00136 0.00070 0.00273 -0.00004 -0.00055 -0.00079 -0.00186 -0.00009 -0.00009 -0.00109 0.00048 0.00090 0.00010 0.00003 -0.00004 -0.00049 -0.00039 -0.00056 -0.00074 0.00004 0.00107 0.00011 0.00023 0.00021 -0.00007 0.00042 -0.00108 -0.00083 0.00048 -0.00091 -0.00029 -0.00017 -0.00031 -0.00080 0.00022 0.00114 -0.00021 0.00048 0.00190 0.00012 -0.00048 -0.00016 -0.00041 -0.00048 -0.00064 0.00012 0.00044 -0.00478 -0.00050 0.00089 0.00031 0.00009 0.00046 -0.00072 -0.00020 -0.00011 -0.00188 0.00028 0.00276 -0.00179 0.00036 0.00284 0.00029 -0.00142 0.00016 -0.00081 -0.00252 -0.00094 -0.00156 -0.00120 0.00072 0.00107 -0.00461 -0.00428 0.00440 0.00241 0.00318 0.01108 0.00784 0.00512 -0.00279 -0.00209 -0.00181 -0.00110 -0.00193 -0.00122 -0.00325 -0.00252 -0.00326 0.00294 0.00367 0.00293 -0.00005 0.00068 -0.00006 0.00021 0.00359 -0.00055 -0.00078 0.00259 -0.00155 -0.00104 -0.00075 -0.00082 -0.00053 -0.00119 0.00127 -0.00035 -0.00175 0.00071 -0.00091 -0.00811 -0.01993 -0.01071 -0.00118 0.00002 -0.00169 -0.00050 -0.00308 -0.00188 -0.00037 -0.00040 -0.00140 -0.00142 0.00128 0.00125 0.00009 0.00036 -0.00080 -0.00053 0.00223 0.00250 0.00077 0.00023 0.00100 0.00046 0.00223 0.00268 -0.00084 -0.00040 0.00315 0.00359 -0.00259 -0.00184 0.00133 0.00209 -0.01582 -0.01507 0.00098 0.00346 0.00150 0.01975 0.02224 0.02028 -0.00171 0.00078 -0.00118 0.00061 -0.00072 0.00003 -0.00129 0.00030 -0.00034 0.00013 0.00192 0.00127 0.00175 -0.00254 -0.00172 -0.00182 -0.00099 -0.00234 -0.00152 -0.00065 0.00007 0.00003 0.00002 -0.00002 0.00133 0.00005 0.00019 -0.00057 -0.00085 -0.00006 -0.00008 0.00001 0.00021 -0.00129 0.00049 -0.00004 -0.00022 0.00021 0.00095 0.00003 -0.00013 0.00001 0.00002 -0.00021 0.00044 0.00002 0.00003 -0.00003 0.00005 0.00355 0.00111 -0.00030 -0.00000 0.00002 -0.00004 -0.00034 0.00059 0.00001 0.00001 0.00001 0.00001 -0.00031 0.00014 0.00001 0.00011 0.00003 0.00002 -0.00213 -0.00057 0.00034 -0.00264 0.00005 0.00254 -0.00201 0.00156 -0.00085 0.00131 0.00015 -0.00011 0.00091 0.00316 -0.00015 -0.00131 -0.00202 0.00130 0.00062 0.00231 -0.00020 0.00075 -0.00047 0.00166 0.00128 0.00022 -0.00012 0.00052 -0.00377 -0.00093 -0.00002 -0.00020 -0.00320 -0.01238 -0.00232 -0.00055 0.00250 0.01277 0.00132 -0.00040 0.00020 0.00001 0.00136 0.00070 0.00274 -0.00004 -0.00055 -0.00079 -0.00187 -0.00010 -0.00009 -0.00109 0.00048 0.00090 0.00010 0.00003 -0.00004 -0.00050 -0.00039 -0.00056 -0.00074 0.00004 0.00107 0.00010 0.00022 0.00021 -0.00006 0.00042 -0.00108 -0.00083 0.00052 -0.00090 -0.00029 -0.00015 -0.00031 -0.00080 0.00022 0.00114 -0.00021 0.00049 0.00190 0.00013 -0.00049 -0.00016 -0.00041 -0.00048 -0.00064 0.00012 0.00042 -0.00479 -0.00050 0.00089 0.00031 0.00009 0.00046 -0.00072 -0.00020 -0.00011 -0.00188 0.00027 0.00276 -0.00179 0.00036 0.00284 0.00029 -0.00142 0.00017 -0.00081 -0.00252 -0.00093 -0.00155 -0.00120 0.00072 0.00107 -0.00460 -0.00427 0.00441 0.00240 0.00319 0.01108 0.00784 0.00513 -0.00278 -0.00209 -0.00179 -0.00110 -0.00192 -0.00122 -0.00324 -0.00252 -0.00326 0.00294 0.00366 0.00292 -0.00005 0.00068 -0.00007 0.00021 0.00359 -0.00055 -0.00078 0.00260 -0.00154 -0.00104 -0.00075 -0.00083 -0.00054 -0.00119 0.00127 -0.00035 -0.00176 0.00071 -0.00092 -0.00812 -0.01993 -0.01070 -0.00118 0.00002 -0.00169 -0.00050 -0.00308 -0.00188 -0.00037 -0.00040 -0.00140 -0.00143 0.00128 0.00125 0.00009 0.00036 -0.00080 -0.00053 0.00224 0.00251 0.00077 0.00023 0.00100 0.00046 0.00223 0.00267 -0.00084 -0.00040 0.00315 0.00359 -0.00259 -0.00182 0.00135 0.00212 -0.01591 -0.01514 0.00097 0.00346 0.00149 0.01972 0.02221 0.02024 -0.00171 0.00078 -0.00118 0.00061 -0.00072 0.00003 -0.00129 0.00030 -0.00034 0.00013 0.00192 0.00127 0.00175 -0.00254 -0.00172 -0.00182 -0.00099 -0.00234 -0.00152 3.34320 1.85338 1.86431 1.82399 1.84767 3.53142 1.86184 1.85045 3.37050 3.24764 1.85266 1.85193 3.28087 3.39800 3.42768 3.52980 1.86707 3.49882 3.44740 3.32170 1.85976 3.37737 1.87424 1.82338 3.41665 3.23101 1.86052 1.84851 1.85655 1.82296 3.53264 3.42403 1.84464 1.83985 1.82370 1.85714 3.43083 3.37340 1.82376 1.87224 1.85135 1.85398 3.34067 1.86625 1.82440 3.43900 1.83401 1.85327 1.89136 1.66901 1.83772 2.80746 1.85308 1.79033 2.07697 1.70883 2.22291 1.69728 1.81143 1.86983 1.77367 2.89560 1.84897 2.06650 2.02835 1.61387 1.91822 1.93425 1.79885 1.86826 1.83705 1.98567 2.12524 1.57155 1.86025 1.80755 2.08488 1.75093 1.81942 1.81166 1.77106 2.17794 1.39805 1.86438 1.86541 2.29950 1.62175 1.67154 1.82755 1.83548 1.89351 1.73518 1.69246 2.20885 1.84661 2.09991 1.68554 1.85285 1.82602 1.80190 1.89739 1.80234 2.02461 2.00558 1.85038 1.66228 2.04822 1.78307 1.79458 1.81983 3.08100 3.09436 2.98982 2.98320 3.21878 3.00657 3.06641 3.01904 2.83946 3.02842 2.99660 3.09568 3.08311 3.08255 2.95250 3.14855 3.04921 3.04529 3.14173 3.27950 3.21482 3.14533 3.17828 3.11522 3.11631 3.33709 3.14920 2.92711 3.12127 2.99644 3.16686 3.15912 3.16730 3.05090 3.00083 3.19037 -1.55278 0.23340 2.05640 2.85020 -1.64681 0.17619 1.14163 -0.85023 -2.92321 2.90271 0.91085 -1.16213 1.16887 -0.74753 -0.74554 -2.66194 0.24779 -1.68449 -0.66434 -3.04434 1.06156 1.12195 -0.72143 -2.56179 -1.51922 0.42325 0.36860 2.31107 2.62636 -1.71436 0.42154 2.60417 -1.59286 -2.17326 0.00937 2.09552 2.28276 -1.81780 0.26835 2.07580 -1.89629 0.26793 0.24391 2.55501 -1.56395 -2.03181 -0.20231 -0.12747 1.70203 0.24350 1.94653 -2.18414 -1.63088 0.07215 2.22466 0.51544 2.61048 -1.32393 -2.13900 2.36217 2.25414 0.47213 0.32066 -1.46135 -1.55734 2.75482 0.54964 -1.42139 2.29627 0.32524 -2.32886 2.08658 -0.24353 -2.11128 1.69647 -0.17127 0.96268 2.82431 -0.93491 0.92672 -0.59514 -2.45136 -3.02269 1.40428 1.04206 -0.81416 1.74712 0.09079 0.01200 -1.64433 -2.27890 2.34795 0.34834 2.82792 -1.50216 -1.96387 0.51572 2.46882 1.75214 -2.05145 -0.09835 1.10047 2.99767 -0.80488 1.09232 -2.84638 1.43117 -1.08883 -0.90410 -2.90974 0.85344 -0.43606 -2.25631 1.40976 -0.41049 -2.94709 1.51584 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000025 0.000005 0.029838 0.002952 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -7.139663e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.0778657231 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452833808 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 5.095348 0.000000 4.494080 5.751835 0.000000 2.753499 5.374586 3.088321 0.000000 1.769489 5.147135 3.414682 0.985214 0.000000 3.786771 7.346658 3.664843 4.433984 3.987316 0.000000 3.284364 6.531421 3.598169 4.298304 3.732804 0.980415 0.000000 3.198958 6.298136 3.059922 0.979116 1.570551 4.141422 4.226233 0.000000 3.305252 7.456017 3.940100 4.011349 3.513828 0.980042 1.542532 3.644750 0.000000 4.220908 0.965202 4.917154 4.441641 4.198021 6.473298 5.692561 5.355027 6.544666 0.000000 4.481365 1.559438 4.487992 4.071424 4.049926 6.572948 5.890279 4.977516 6.630522 0.988033 0.000000 4.269336 4.889593 0.977753 2.765699 3.130513 4.259176 4.012025 3.031034 4.455520 4.069658 3.558773 0.000000 3.560032 4.842522 1.536219 1.783895 2.215787 4.152458 3.925373 2.148534 4.132405 3.944198 3.455377 0.984129 0.000000 2.786290 5.072321 4.054953 4.392960 3.674246 2.771730 1.798031 4.710612 3.079411 4.331043 4.761441 4.060014 3.970751 0.000000 3.158181 4.351431 3.600693 4.282217 3.706119 3.300717 2.376710 4.708370 3.696751 3.634446 4.016893 3.468004 3.534118 0.991798 0.000000 3.391376 5.308866 4.957697 5.291914 4.522327 3.403737 2.446806 5.638539 3.748361 4.690923 5.267718 4.944942 4.896527 0.964879 1.568815 0.000000 4.164614 3.428027 3.203154 4.395690 4.135270 4.501983 3.734593 4.953192 4.938856 2.812925 2.963730 2.769895 3.151415 2.695378 1.709544 3.177846 0.000000 4.034495 3.804777 2.274271 3.699744 3.613758 4.227853 3.616714 4.193384 4.607528 3.066716 2.923735 1.787296 2.256135 2.990289 2.120856 3.688905 0.984534 0.000000 4.040249 2.462592 3.763553 4.341493 4.058427 5.157127 4.353518 5.054125 5.458293 1.851612 2.134819 3.124341 3.319150 3.082630 2.168501 3.496018 0.978174 1.544653 0.000000 4.352147 7.898555 3.439785 2.773943 3.129198 3.778262 4.273593 1.814533 3.261153 6.944315 6.586867 3.887844 3.320627 5.375428 5.527051 6.289149 5.961921 5.171253 6.305349 0.000000 4.557438 7.759687 2.751977 3.058566 3.397213 3.307004 3.838975 2.231193 3.033490 6.818211 6.456490 3.388615 3.047918 5.048951 5.125613 5.969118 5.481743 4.670939 5.950835 0.982458 0.000000 5.250847 8.683394 4.081686 3.471560 3.953807 4.607950 5.177291 2.501155 4.103072 7.740799 7.311134 4.546496 4.026123 6.332804 6.464458 7.246567 6.813351 5.977112 7.154856 0.964643 1.563737 0.000000 2.880678 7.732300 4.762394 3.510696 2.989411 2.838534 3.162448 3.060491 1.867633 6.794195 6.834454 5.076693 4.418794 4.139640 4.756123 4.811747 5.913072 5.505503 6.180149 2.828652 3.193797 3.575311 0.000000 3.247277 7.761777 4.254792 3.034039 2.781448 3.022038 3.452574 2.372899 2.149918 6.802019 6.700961 4.613261 3.941076 4.522985 4.978249 5.310432 5.900949 5.346004 6.191192 1.867515 2.347252 2.604387 0.976302 0.000000 1.931883 6.884432 4.607242 3.004716 2.291486 3.054631 3.075154 2.820165 2.191617 5.960784 6.055257 4.744056 4.017977 3.626074 4.207366 4.298780 5.349464 5.007681 5.496312 3.178967 3.540045 4.011506 0.973608 1.543847 0.000000 4.480236 4.827671 6.784288 4.164640 4.091391 7.958482 7.504289 4.970661 7.469079 4.386329 4.250978 6.048052 5.254111 6.712135 6.544300 7.245148 6.451501 6.213483 5.749159 6.712502 7.188469 7.237963 6.550940 6.471475 5.712116 0.000000 5.288350 4.755491 7.403535 4.972278 4.936531 8.764360 8.259526 5.813943 8.325906 4.497660 4.360366 6.598540 5.883254 7.342640 7.095808 7.825507 6.849115 6.670523 6.063067 7.581818 8.017344 8.095761 7.483459 7.403839 6.628863 0.965054 0.000000 4.419174 4.686650 6.073593 3.534413 3.663660 7.607625 7.204926 4.343729 7.157032 4.162418 3.824161 5.321964 4.539180 6.536756 6.288788 7.167679 6.045893 5.685788 5.402934 6.106780 6.544933 6.591609 6.323167 6.111822 5.541264 0.982775 1.547060 0.000000 4.928848 7.375245 1.868043 3.868215 4.059329 2.719533 3.150993 3.390927 3.024651 6.496220 6.193750 2.810636 2.993596 4.384701 4.302682 5.248489 4.518317 3.766829 5.218073 2.764668 1.811329 3.329240 4.092334 3.548692 4.321442 7.951919 8.695686 7.304364 0.000000 5.846914 8.154789 2.562958 4.807403 5.022621 3.192147 3.727368 4.285975 3.620398 7.307846 6.994149 3.540190 3.862770 5.066802 4.982970 5.863002 5.150383 4.438446 5.927633 3.422149 2.445291 3.807347 4.812915 4.277587 5.149026 8.900651 9.634189 8.233324 0.965090 0.000000 4.423265 7.276034 2.341185 3.951962 3.898188 1.736157 2.231299 3.532304 2.158088 6.387896 6.233904 3.177055 3.258189 3.659705 3.750298 4.476735 4.317178 3.723744 5.040927 2.975629 2.163343 3.691728 3.525310 3.191155 3.764026 7.923867 8.696106 7.377129 0.990737 1.563774 0.000000 2.750790 3.360367 5.878845 3.959242 3.348735 6.290126 5.599871 4.832548 5.975753 2.802590 3.265420 5.220226 4.590136 4.387880 4.287966 4.712569 4.547794 4.657673 3.843956 6.473777 6.699832 7.276326 5.548893 5.774987 4.583038 2.795604 3.237560 3.092148 6.973557 7.912162 6.665724 0.000000 3.094020 2.412714 5.435461 3.949211 3.454281 6.250131 5.507401 4.877952 6.072289 1.824175 2.351395 4.696113 4.202950 4.188739 3.875182 4.535261 3.823971 3.981411 3.023737 6.545309 6.647605 7.359332 5.899611 6.044695 4.964593 3.163305 3.466697 3.244452 6.717474 7.628524 6.471980 0.979690 0.000000 3.203931 3.724054 6.102182 3.837201 3.400186 6.813647 6.212683 4.725136 6.421030 3.198174 3.419779 5.398213 4.682233 5.168470 5.040683 5.585895 5.152243 5.116996 4.433323 6.448752 6.774314 7.166570 5.782615 5.898700 4.841414 1.815695 2.309761 2.200944 7.241209 8.196257 7.035558 0.981078 1.551701 0.000000 4.604536 4.822775 4.806443 2.695106 3.262655 7.018195 6.729903 3.418465 6.668544 4.175862 3.503495 4.060725 3.348876 6.335972 5.958607 7.117013 5.459910 4.860997 4.999510 5.111849 5.428447 5.509807 6.064420 5.618112 5.436833 2.760832 3.207068 1.784813 6.130739 6.995807 6.407039 4.037146 3.879822 3.419056 0.000000 3.862693 4.977914 4.105376 1.719026 2.360909 6.098755 5.867090 2.441081 5.716223 4.191553 3.605385 3.467961 2.627362 5.633408 5.340245 6.462838 5.034375 4.376724 4.703733 4.170572 4.502844 4.632709 5.107816 4.639594 4.519666 3.098763 3.751633 2.228577 5.277253 6.167225 5.512083 3.873111 3.783328 3.398986 0.987504 0.000000 5.372365 5.705975 5.223013 3.188844 3.902158 7.578176 7.387656 3.706962 7.195551 5.093020 4.360361 4.553763 3.873426 7.151196 6.787386 7.968481 6.260914 5.585188 5.860095 5.223946 5.599985 5.456738 6.500063 5.949646 5.970586 3.330215 3.718378 2.372364 6.452163 7.266029 6.832487 4.952472 4.838007 4.275455 0.965427 1.559955 0.000000 5.213087 3.211166 3.939242 3.774271 4.172680 6.837430 6.357007 4.544348 6.878068 2.737344 1.757265 2.970825 2.948319 5.665538 4.913260 6.356624 3.702618 3.208425 3.231294 6.053862 5.903311 6.608338 7.025724 6.649084 6.391769 4.615769 4.763283 3.867323 5.752247 6.487355 6.067567 4.496975 3.755564 4.374741 2.791860 3.006461 3.383181 0.000000 4.971374 3.658027 3.010082 3.417539 3.851995 6.094269 5.670285 4.069526 6.202737 3.044548 2.179528 2.054473 2.215579 5.161787 4.400392 5.914490 3.183206 2.510849 2.957914 5.413251 5.148126 5.983420 6.516112 6.098689 5.968723 5.159998 5.447978 4.386898 4.849647 5.551189 5.206298 4.774649 4.058314 4.766520 3.136459 3.062869 3.687311 0.970504 0.000000 0.980729 4.906200 4.189427 3.196718 2.278939 3.232649 2.550621 3.608760 2.975077 4.048112 4.397338 4.030155 3.513887 1.808123 2.256631 2.434649 3.488718 3.487620 3.498528 4.598098 4.600103 5.547178 3.132167 3.540868 2.320243 5.204681 5.940736 5.101528 4.608263 5.476501 4.002804 3.126713 3.243785 3.767138 5.136751 4.400127 5.941767 5.238689 4.896741 0.000000 4.928235 3.672064 4.105703 3.239156 3.730918 6.859643 6.445597 4.029239 6.762585 3.108705 2.194802 3.178387 2.863435 5.857655 5.229757 6.598930 4.273856 3.709909 3.793489 5.638680 5.639454 6.142850 6.655962 6.240997 6.016488 3.875873 4.091922 3.038612 5.793900 6.587997 6.115467 4.219457 3.646586 3.915655 1.819784 2.148699 2.420619 0.980700 1.540374 5.133439 0.000000 0.986538 4.401203 4.918310 2.999296 2.109193 4.675575 4.078743 3.667229 4.265141 3.588899 3.927347 4.505500 3.795515 3.215026 3.399705 3.707418 4.159820 4.124911 3.806324 5.069993 5.295756 5.935015 3.818451 4.127255 2.852771 3.735913 4.472562 3.788011 5.638499 6.574736 5.210974 1.767970 2.209676 2.280260 4.247284 3.675654 5.092995 4.852491 4.787320 1.563600 4.554299 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1819,-.2176,-2.0724;-3.4342,2.6757,.0525;1.4914,.5755,2.1529;-.0128,-1.4564,.379;.0852,-1.0382,-.5077;3.6125,.7933,-.8278;2.8689,1.3841,-1.0713;.8216,-1.9408,.5457;3.3786,-.0612,-1.2468;-2.6748,2.0809,.0185;-2.6909,1.5715,.865;.5179,.6466,2.095;.277,-.0862,1.4839;1.3632,2.2488,-1.5385;.8387,2.5813,-.7653;1.368,2.9573,-2.1934;-.0669,2.9311,.6419;.1563,2.1482,1.1955;-.9949,2.7726,.3765;2.5455,-2.4243,.8405;2.8975,-1.6323,1.3032;2.8327,-3.1941,1.3459;2.6648,-1.6659,-1.8819;2.6274,-2.0591,-.9891;1.7681,-1.32,-2.0373;-3.8408,-1.975,-1.1772;-4.7701,-1.7567,-1.0357;-3.4428,-1.9992,-.279;3.252,.081,1.7719;4.0345,.2913,2.2962;3.4348,.4152,.8573;-2.52,.2948,-2.1356;-2.6102,.9309,-1.396;-3.0001,-.5058,-1.8339;-2.5238,-1.9069,1.2483;-1.5853,-1.8592,.9445;-2.5789,-2.6809,1.8227;-2.4422,.6588,2.3459;-1.4916,.7764,2.502;.5778,.6691,-1.9347;-2.5247,-.2711,2.0457;-.7878,-.0587,-2.1591; 0.3961147 0.2485018 0.2360929 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.70D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74551591167 -1070.74551591 1 1.067086000197e+03 -5.117077214665e+03 1.686199338643e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 12832 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340177. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.05D+01 1.34D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 1.75D+00 1.23D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 1.70D-02 1.28D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 5.25D-05 6.26D-04. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 8.72D-08 1.90D-05. 73 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 9.07D-11 5.05D-07. 5 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 6.83D-14 2.02D-08. 1 vectors produced by pass 7 Test12= 2.84D-14 1.00D-09 XBig12= 8.41D-17 1.00D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 709 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 157.50 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 158.566 -0.048 157.750 2.553 -1.733 156.197 147.394 -0.619 146.282 3.211 -2.391 144.107 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT14888.300S Tue Nov 5 07:46:20 2024 -19.13172 -19.13080 -19.12861 -19.12816 -19.12684 -19.12266 -19.12153 -19.12019 -19.11698 -19.11544 -19.11428 -19.11352 -19.11290 -19.11058 -1.03073 -1.02555 -1.02229 -1.01855 -1.01487 -1.01313 -1.01003 -1.00850 -1.00390 -1.00276 -0.99714 -0.99268 -0.99022 -0.98723 -0.55086 -0.54491 -0.53998 -0.53729 -0.53589 -0.53390 -0.53318 -0.53055 -0.52832 -0.52258 -0.52190 -0.52042 -0.51678 -0.51652 -0.44834 -0.43415 -0.42969 -0.42566 -0.42125 -0.40491 -0.40224 -0.40074 -0.39647 -0.38804 -0.38267 -0.38121 -0.37752 -0.36516 -0.33302 -0.33100 -0.32791 -0.32716 -0.32489 -0.32345 -0.32235 -0.32020 -0.31962 -0.31842 -0.31779 -0.31476 -0.31302 -0.31169 -0.00039 0.02522 0.03625 0.04599 0.05893 0.06076 0.07667 0.07740 0.08641 0.09380 0.10881 0.11053 0.11185 0.11562 0.11902 0.12228 0.13459 0.13571 0.13855 0.14153 0.14736 0.15352 0.16104 0.16300 0.16490 0.17625 0.17713 0.18135 0.18813 0.19087 0.19335 0.19522 0.20071 0.20816 0.21208 0.21535 0.21750 0.22341 0.22728 0.23092 0.23482 0.23766 0.24506 0.24848 0.24876 0.25593 0.25932 0.26128 0.26416 0.26794 0.27041 0.27401 0.27531 0.28294 0.28351 0.28554 0.28854 0.28973 0.29272 0.29871 0.30020 0.30340 0.30406 0.31476 0.31934 0.32067 0.33021 0.34635 0.35335 0.36335 0.38144 0.40053 0.42626 0.43229 0.44724 0.45532 0.46558 0.46640 0.47599 0.48075 0.48892 0.50612 0.51206 0.52025 0.52700 0.52978 0.53514 0.54529 0.55305 0.55984 0.56629 0.57584 0.58306 0.58971 0.59385 0.61078 0.61942 0.61979 0.62686 0.63394 0.63472 0.64185 0.65428 0.65600 0.66427 0.66915 0.67409 0.68651 0.69099 0.69900 0.71029 0.73595 0.94078 0.94680 0.96130 0.96589 0.97211 0.97861 0.98578 0.99456 0.99974 1.00326 1.01323 1.02405 1.03014 1.03540 1.03894 1.04657 1.05012 1.05673 1.06462 1.06549 1.06899 1.07303 1.07631 1.08047 1.08404 1.09013 1.09137 1.10149 1.10186 1.11461 1.11659 1.11754 1.12307 1.13238 1.13862 1.14261 1.14815 1.15128 1.16043 1.17817 1.18625 1.20565 1.22934 1.25339 1.26544 1.27370 1.27906 1.28666 1.29340 1.30128 1.31058 1.31613 1.32338 1.32787 1.33250 1.34291 1.34976 1.35631 1.36699 1.37107 1.38214 1.39401 1.39786 1.40265 1.41088 1.41471 1.42320 1.43039 1.44514 1.45329 1.46415 1.46903 1.48064 1.48925 1.49643 1.49954 1.50993 1.52126 1.53647 1.54344 1.55070 1.56583 1.56852 1.58210 1.59606 1.60638 1.61798 1.62635 1.63729 1.64043 1.66076 1.66524 1.68434 1.69097 1.69643 1.70544 1.71171 1.73104 1.73748 1.74849 1.75800 1.76555 1.77514 1.78090 1.79170 1.79541 1.80296 1.81350 1.83135 1.84231 1.86967 1.87947 2.02012 2.03682 2.04445 2.05011 2.05410 2.06103 2.15933 2.17677 2.23634 2.25829 2.26701 2.27246 2.28025 2.30718 2.32435 2.33042 2.35368 2.36477 2.37617 2.38190 2.39589 2.40950 2.41476 2.42984 2.44233 2.45583 2.47753 2.49192 2.52907 2.56281 2.57611 2.58433 2.58928 2.61327 2.67124 2.67815 2.69060 2.69647 2.70432 2.71766 2.73230 2.74381 2.75315 2.76140 2.76823 2.77441 2.78665 2.79629 2.80594 2.83711 2.83741 2.85051 2.87198 2.88493 2.90500 2.93110 3.06987 3.07033 3.07684 3.08493 3.08974 3.09233 3.09864 3.10130 3.10394 3.10493 3.11554 3.12455 3.12860 3.13109 3.13237 3.13523 3.14426 3.14833 3.16127 3.16184 3.16677 3.17131 3.17688 3.18217 3.18879 3.19879 3.20391 3.21844 3.29837 3.30529 3.30704 3.31220 3.31869 3.32982 3.33274 3.34147 3.34642 3.35374 3.35759 3.36538 3.38787 3.41135 3.68568 3.69456 3.69985 3.70488 3.71255 3.72711 3.73052 3.74831 3.75070 3.75152 3.76299 3.77848 3.78799 3.81951 3.90315 3.91191 3.91590 3.92096 3.92488 3.92947 3.93830 3.94683 3.94859 3.95584 3.95899 3.98606 4.00191 4.03951 5.00894 5.01552 5.02408 5.03102 5.03535 5.03957 5.04382 5.04938 5.05584 5.07058 5.07599 5.07943 5.08731 5.13108 5.36291 5.38065 5.39139 5.43448 5.43931 5.44443 5.46118 5.46342 5.47240 5.48513 5.48747 5.51402 5.52944 5.59534 5.65339 5.65958 5.66907 5.67404 5.67607 5.68008 5.68290 5.71510 5.72938 5.74844 5.75593 5.76421 5.78447 5.81313 49.87891 49.89827 49.90709 49.91559 49.92011 49.92355 49.93018 49.93564 49.93740 49.95511 49.95814 49.96587 49.96892 49.99082 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.851696 0.338990 0.439987 -0.796660 0.398318 -0.765028 0.393406 0.413070 0.368582 -0.746517 0.412761 -0.836368 0.375355 -0.787218 0.421091 0.350708 -0.751407 0.392824 0.360965 -0.763410 0.392627 0.369769 -0.729469 0.376836 0.364891 -0.743322 0.317298 0.413952 -0.768126 0.352513 0.415988 -0.791118 0.386603 0.403808 -0.738518 0.413320 0.336106 -0.734550 0.358512 0.396361 0.387841 0.450925 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O -0.004411 0.014729 -0.003041 0.005234 -0.021026 -0.015418 0.002381 -0.001015 0.012258 -0.012073 0.000375 -0.000707 0.010909 0.011804 -0.00000 -5.08813860e-01 -9.79182102e-01 2.82475424e+00 1.58566406e+02 -4.75428145e-02 1.57750442e+02 2.55298770e+00 -1.73335750e+00 1.56197135e+02 -8.7412 -2.5496 -0.0009 -0.0008 0.0011 9.5158 32.6615 35.9922 37.5052 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 32.4028 35.8974 36.8118 48.5858 52.7959 59.0774 60.8192 63.3578 66.6686 72.2240 73.1862 76.9532 84.5347 98.4387 112.0732 131.7096 142.6929 154.6833 168.0951 175.4780 182.3514 184.9845 188.5180 192.1218 197.3722 204.3622 206.8428 209.6019 215.7310 227.3197 231.8033 241.6975 244.7953 249.4143 252.1523 264.1322 273.0823 280.8146 286.5828 299.9357 305.4745 328.4792 395.2734 406.4875 422.0067 434.1940 472.2022 479.0099 483.7941 491.2159 493.4551 505.8690 544.1538 569.3755 576.0145 599.1302 604.6698 610.5806 638.6371 648.7403 656.0836 659.9199 665.0634 678.5838 695.8159 699.6530 723.9335 737.4175 750.3789 763.1294 767.2648 774.1952 786.3274 811.6551 845.8193 853.1334 870.5753 894.7713 1600.4714 1606.7729 1608.9714 1610.6528 1616.9427 1623.0820 1626.0427 1640.2455 1647.4532 1651.2494 1658.9835 1667.8033 1670.3276 1677.2048 3229.8555 3265.3672 3306.5544 3323.2227 3336.6595 3370.0165 3403.4733 3427.7327 3437.2537 3450.5348 3474.8293 3479.8741 3491.4248 3497.9614 3509.2996 3513.7404 3526.1749 3548.0198 3561.7138 3584.2126 3655.0428 3713.8348 3828.1478 3829.2067 3829.7987 3829.9403 3834.0191 3837.9716 5.5460 6.0370 6.4990 5.9226 6.6458 5.9552 6.6112 5.9190 6.8460 6.4514 6.9342 7.0011 5.6812 5.3341 6.5399 1.9034 3.1064 4.6749 3.8065 4.1658 3.0846 5.0007 6.4410 5.1182 4.0204 5.0254 4.6109 5.4515 3.6873 4.4417 5.6909 2.0851 2.6472 4.9988 2.0854 2.0571 3.3451 1.8318 3.3866 1.4476 4.7811 1.1955 1.0633 1.0815 1.0439 1.0422 1.0653 1.0811 1.0418 1.0526 1.0751 1.0479 1.0313 1.0371 1.0435 1.0353 1.0445 1.0474 1.0386 1.0385 1.0509 1.0427 1.0401 1.0617 1.0364 1.0573 1.0575 1.0489 1.0417 1.0402 1.0451 1.0662 1.0265 1.0448 1.0332 1.0384 1.0401 1.0314 1.0753 1.0756 1.0749 1.0733 1.0725 1.0745 1.0728 1.0702 1.0716 1.0691 1.0695 1.0688 1.0662 1.0660 1.0672 1.0668 1.0630 1.0659 1.0655 1.0628 1.0665 1.0651 1.0694 1.0645 1.0609 1.0603 1.0580 1.0628 1.0781 1.0775 1.0677 1.0682 1.0678 1.0558 1.0764 1.0685 1.0664 1.0664 1.0668 1.0674 1.0665 1.0682 0.0034 0.0046 0.0052 0.0082 0.0109 0.0122 0.0144 0.0140 0.0179 0.0198 0.0219 0.0244 0.0239 0.0305 0.0484 0.0195 0.0373 0.0659 0.0634 0.0756 0.0604 0.1008 0.1349 0.1113 0.0923 0.1237 0.1162 0.1411 0.1011 0.1352 0.1802 0.0718 0.0935 0.1832 0.0781 0.0846 0.1470 0.0851 0.1639 0.0767 0.2629 0.0760 0.0979 0.1053 0.1095 0.1158 0.1399 0.1462 0.1437 0.1496 0.1542 0.1580 0.1799 0.1981 0.2040 0.2189 0.2250 0.2301 0.2496 0.2575 0.2665 0.2675 0.2711 0.2880 0.2956 0.3049 0.3265 0.3360 0.3456 0.3569 0.3625 0.3765 0.3739 0.4055 0.4355 0.4453 0.4644 0.4865 1.6229 1.6360 1.6395 1.6406 1.6520 1.6678 1.6713 1.6964 1.7136 1.7175 1.7343 1.7516 1.7527 1.7668 6.5594 6.7019 6.8478 6.9355 6.9890 7.1117 7.2785 7.3735 7.4444 7.4676 7.5476 7.5648 7.5986 7.6615 7.8226 7.8378 7.8219 7.9229 7.9810 7.9912 8.4728 8.6832 9.2076 9.2125 9.2194 9.2251 9.2365 9.2705 2.6240 0.5254 0.9839 3.3948 1.7243 6.5798 1.4266 4.1917 2.3838 2.2919 7.2296 5.6875 5.2517 1.8397 1.6828 94.1106 1.4095 56.9239 1.7073 18.6765 33.8792 28.4617 44.5400 10.6146 23.2286 29.2915 29.3288 105.4481 20.0614 32.3435 79.0980 199.7345 26.0152 44.6268 166.2317 79.8283 21.4983 161.5647 10.3473 172.1180 4.3971 111.7002 247.4261 89.5993 56.9729 96.1963 59.9517 34.0574 84.4870 42.6137 70.9843 74.7463 151.6875 60.2174 96.9545 21.7308 219.7351 124.1060 194.9148 203.7399 30.8573 233.8924 80.7149 316.8312 96.6311 399.3105 827.7087 229.4693 264.4713 204.7260 235.0764 946.2026 4.4519 17.9177 54.2936 155.3242 271.7283 185.2546 81.1711 362.1423 241.1594 20.1430 144.0390 69.1475 236.1731 190.8365 130.3005 47.3961 57.7503 140.5175 11.7262 60.0363 1142.8168 1555.3015 153.5632 1519.1117 2313.1196 1736.5677 2301.7499 670.7133 102.6433 1581.5131 763.2919 317.8796 555.4890 602.4370 1114.1753 1169.5512 687.3920 880.6044 605.5858 513.9554 754.7351 344.4054 129.4053 117.8497 119.3308 133.0192 128.8355 147.7831 0.00 0.08 -0.12 -0.01 -0.10 0.05 0.02 0.11 0.08 0.00 0.24 -0.03 -0.01 0.18 -0.06 -0.06 -0.09 0.10 -0.03 -0.05 0.08 -0.04 0.17 -0.05 -0.07 -0.06 0.06 0.00 -0.08 0.05 0.03 -0.06 0.07 0.03 0.18 0.00 0.03 0.21 -0.03 0.03 0.03 -0.01 0.01 0.06 -0.04 0.15 0.05 0.01 -0.03 0.10 -0.07 0.02 0.15 -0.03 -0.03 0.03 -0.05 -0.13 -0.07 -0.04 -0.09 -0.11 -0.00 -0.31 -0.10 0.01 -0.09 -0.02 -0.04 -0.12 -0.06 -0.06 -0.07 0.02 -0.05 0.16 -0.17 -0.03 0.13 -0.25 -0.07 0.12 -0.11 -0.02 -0.01 -0.15 0.09 0.04 -0.24 0.05 -0.03 -0.14 0.09 -0.02 -0.04 0.01 -0.02 -0.07 0.04 0.04 -0.08 -0.00 0.07 0.02 0.01 0.06 0.12 -0.03 0.17 -0.01 -0.02 0.03 -0.02 0.10 0.03 0.00 0.11 -0.01 0.08 -0.11 0.05 -0.01 0.09 -0.00 0.06 -0.09 0.02 -0.05 -0.03 -0.05 -0.09 0.27 0.01 0.05 -0.04 -0.02 0.03 0.00 0.01 -0.00 -0.01 0.03 -0.01 -0.07 0.03 -0.02 -0.10 -0.03 0.04 0.05 0.02 -0.04 -0.01 -0.04 -0.07 0.24 0.01 -0.09 0.23 0.02 0.06 -0.05 0.01 0.05 -0.04 0.03 -0.04 -0.12 0.00 -0.04 -0.14 0.00 -0.06 -0.15 0.01 -0.02 -0.14 0.05 0.01 -0.11 -0.01 -0.04 -0.05 -0.03 0.07 0.15 -0.03 0.10 0.09 -0.06 0.11 0.23 0.01 -0.08 0.11 -0.01 -0.03 0.13 0.02 -0.08 0.07 -0.06 0.08 -0.17 -0.05 0.09 -0.16 -0.06 0.04 -0.17 0.02 0.12 -0.03 0.02 0.14 -0.04 0.02 0.08 -0.05 0.05 0.12 0.08 0.04 0.05 0.14 -0.00 0.11 -0.02 -0.07 -0.04 -0.15 -0.05 -0.01 -0.12 -0.08 -0.10 -0.23 0.04 -0.16 0.19 0.05 -0.18 0.15 0.05 -0.06 -0.07 0.02 -0.13 0.09 0.02 -0.00 0.01 -0.06 0.01 0.16 0.08 0.03 -0.07 0.15 0.11 0.06 0.03 0.11 0.19 -0.02 0.09 0.17 -0.01 -0.08 -0.17 -0.02 -0.06 -0.09 0.02 0.09 0.14 -0.09 -0.08 -0.12 0.06 0.01 -0.07 0.01 -0.03 -0.09 0.14 0.10 0.17 0.10 0.10 0.19 -0.04 0.01 0.09 0.00 0.01 0.11 -0.09 -0.00 0.07 0.02 0.03 0.13 0.03 0.05 0.15 0.03 -0.01 0.09 0.02 0.02 0.06 0.06 0.04 -0.01 -0.03 0.05 0.14 -0.17 -0.10 0.00 -0.12 -0.07 0.01 -0.16 -0.05 0.06 0.05 -0.03 -0.13 0.04 -0.09 -0.12 0.05 -0.05 -0.13 0.13 0.05 -0.11 0.19 0.01 -0.19 0.08 -0.00 -0.14 -0.04 0.03 -0.10 -0.03 0.02 -0.09 -0.03 0.02 -0.09 -0.01 -0.08 -0.10 0.02 -0.03 -0.00 -0.03 -0.08 -0.10 -0.12 -0.08 -0.12 -0.15 -0.04 0.05 -0.06 0.02 0.13 -0.05 -0.08 -0.12 -0.05 0.01 0.07 0.01 0.04 0.07 -0.02 0.03 0.02 -0.03 -0.09 -0.08 -0.09 -0.12 -0.01 -0.06 -0.06 0.03 0.05 0.00 -0.11 0.05 0.02 -0.08 -0.09 -0.09 0.01 0.01 0.00 -0.08 -0.03 0.01 0.04 -0.01 0.08 0.08 -0.04 -0.11 -0.02 -0.06 -0.12 0.00 0.03 0.04 0.03 0.02 0.01 0.04 -0.04 0.03 0.03 0.00 -0.06 0.04 -0.02 -0.09 0.01 0.00 -0.02 0.03 -0.05 0.01 0.01 -0.05 0.03 -0.03 0.05 0.03 -0.03 -0.04 -0.00 0.01 -0.03 0.02 0.02 -0.03 0.02 0.02 0.26 -0.21 -0.16 0.20 -0.38 -0.34 0.11 -0.08 -0.09 -0.03 0.04 -0.11 -0.06 0.06 -0.08 0.00 0.03 -0.11 0.02 0.02 0.03 -0.02 -0.02 0.05 0.09 -0.04 -0.02 -0.14 0.17 0.06 -0.13 0.08 0.08 -0.20 0.20 0.10 0.06 0.16 0.12 0.08 0.11 0.02 0.02 0.03 0.08 -0.02 0.17 0.11 0.02 0.05 0.05 -0.02 0.02 -0.10 0.25 -0.12 -0.11 0.08 -0.08 0.04 -0.12 0.08 -0.06 -0.08 0.06 -0.06 0.06 0.11 0.01 0.04 0.08 0.01 -0.14 0.06 -0.03 0.06 0.09 0.03 0.23 -0.15 -0.06 0.19 -0.09 -0.02 0.08 -0.06 0.07 0.04 -0.00 0.02 -0.01 -0.01 0.00 0.06 -0.02 0.05 0.00 0.04 0.05 0.15 -0.02 0.11 0.15 -0.03 0.11 0.16 -0.06 0.07 -0.14 0.10 0.04 -0.07 0.08 0.02 -0.05 0.07 -0.06 0.02 0.12 0.06 -0.02 0.13 0.07 0.02 0.11 0.01 -0.22 -0.11 -0.01 -0.20 -0.04 -0.00 -0.19 -0.05 -0.02 0.08 0.05 0.00 0.08 0.01 0.01 0.08 0.07 0.01 -0.07 -0.19 -0.06 0.01 -0.20 -0.04 -0.10 -0.17 -0.06 -0.13 0.06 -0.06 -0.14 0.07 -0.08 -0.09 0.05 -0.06 0.09 0.01 0.06 0.10 -0.05 0.07 -0.07 0.03 -0.08 0.03 0.02 0.06 -0.03 -0.05 -0.11 0.09 0.12 -0.11 0.05 0.02 -0.02 -0.10 -0.04 -0.02 -0.08 0.05 -0.11 -0.04 0.08 -0.09 0.12 -0.07 -0.12 0.15 -0.03 -0.09 -0.07 0.09 -0.06 0.05 -0.06 -0.09 0.04 0.01 -0.00 -0.03 -0.03 -0.03 -0.11 -0.06 0.06 -0.13 -0.01 0.01 0.17 0.06 0.03 0.13 0.00 0.04 0.17 0.11 0.08 0.06 -0.06 0.00 0.01 -0.06 0.03 0.06 -0.04 -0.02 -0.13 0.09 0.05 -0.14 0.11 0.01 -0.28 0.13 0.19 -0.06 -0.05 -0.02 -0.09 -0.01 -0.01 -0.03 0.03 -0.03 0.06 0.02 0.14 0.07 0.07 0.14 0.04 -0.05 0.15 -0.10 0.12 -0.09 -0.12 0.10 -0.05 -0.02 0.05 -0.10 0.07 -0.02 0.05 0.06 0.01 0.02 0.10 -0.02 0.09 0.05 -0.15 0.14 0.02 -0.06 0.05 0.17 -0.18 0.12 -0.16 -0.09 -0.04 -0.18 -0.05 0.04 0.09 0.11 -0.07 -0.11 -0.11 0.00 0.08 0.11 -0.07 -0.14 -0.08 -0.11 0.21 0.19 0.06 -0.09 -0.07 0.15 0.04 0.01 -0.05 -0.01 -0.02 -0.07 -0.16 -0.01 0.09 -0.14 -0.03 -0.01 0.07 0.05 -0.06 -0.09 -0.02 0.08 0.17 0.15 0.04 0.12 0.09 0.01 -0.10 -0.10 0.11 -0.04 -0.05 0.04 -0.12 -0.10 -0.15 0.01 -0.09 -0.07 -0.08 -0.06 -0.10 0.22 -0.05 0.05 0.14 -0.06 0.05 0.19 0.04 0.07 0.07 0.09 0.02 0.01 0.09 0.05 -0.05 0.10 0.10 -0.04 -0.03 -0.03 -0.02 -0.02 -0.02 -0.05 -0.07 -0.04 0.16 -0.05 -0.05 0.12 -0.23 -0.06 0.13 -0.06 -0.04 -0.09 0.11 0.12 -0.08 0.15 0.09 -0.13 0.08 0.11 -0.11 0.11 0.02 -0.03 0.10 0.04 -0.06 0.09 0.05 0.08 -0.04 -0.01 0.08 -0.02 -0.01 0.09 -0.03 -0.00 0.01 -0.01 -0.05 0.01 -0.03 -0.01 -0.11 -0.09 -0.14 0.01 -0.00 -0.06 -0.13 -0.04 -0.06 0.14 -0.07 -0.16 -0.03 -0.13 -0.07 -0.04 -0.00 0.04 0.07 0.06 -0.08 0.10 0.01 -0.10 -0.16 -0.05 -0.08 -0.19 -0.08 -0.05 0.06 0.06 -0.04 -0.12 -0.06 -0.07 -0.00 -0.10 -0.01 -0.00 -0.04 0.02 -0.04 -0.04 0.07 -0.02 0.00 0.01 -0.17 0.01 0.10 -0.13 -0.01 0.14 -0.16 0.04 0.14 -0.09 0.02 0.18 -0.08 0.00 0.15 -0.07 -0.01 0.13 0.03 -0.01 0.05 -0.01 0.03 0.01 -0.16 0.05 0.24 0.04 -0.17 -0.03 0.02 -0.13 -0.02 0.04 -0.16 -0.06 -0.01 0.11 0.01 0.01 0.21 0.03 0.02 0.14 0.00 -0.05 0.06 -0.05 -0.03 0.08 -0.10 -0.09 0.02 -0.08 0.16 -0.04 -0.07 0.16 -0.05 -0.06 0.10 -0.01 -0.08 0.07 0.14 -0.03 0.06 0.13 -0.05 0.07 0.12 -0.06 0.04 0.07 0.10 0.04 0.08 0.06 0.08 -0.06 -0.07 0.05 0.08 0.08 0.13 -0.10 -0.14 0.06 0.01 0.04 0.10 0.00 -0.00 -0.02 -0.00 -0.17 -0.07 -0.12 -0.03 -0.02 -0.10 -0.01 -0.13 0.06 -0.04 -0.14 0.05 -0.03 -0.07 -0.10 0.02 -0.12 0.04 -0.02 0.17 0.09 0.00 0.16 0.02 -0.04 -0.01 0.05 -0.24 -0.02 0.02 -0.19 -0.12 0.12 0.01 -0.05 0.20 0.02 -0.13 0.08 -0.04 0.06 0.29 0.11 0.07 0.21 -0.01 0.07 0.29 0.09 -0.09 -0.09 0.11 -0.07 -0.06 0.05 -0.08 -0.06 0.14 0.01 -0.04 0.10 -0.01 -0.05 0.10 0.01 -0.05 0.08 0.03 -0.04 -0.00 0.02 -0.05 -0.03 -0.01 -0.10 0.01 -0.04 -0.05 -0.07 -0.06 -0.01 -0.06 -0.07 -0.01 -0.06 0.07 -0.03 0.08 0.10 -0.01 0.07 0.06 -0.02 0.10 -0.04 -0.16 0.03 -0.04 -0.15 0.01 -0.02 -0.15 0.04 0.10 -0.08 -0.10 0.10 -0.12 -0.10 0.02 0.02 0.07 0.04 -0.08 -0.06 0.06 -0.02 0.04 -0.05 -0.02 -0.12 -0.12 0.10 0.05 0.00 0.05 -0.09 0.03 -0.00 -0.10 0.02 -0.04 -0.12 0.14 -0.13 0.01 0.10 -0.14 0.10 0.05 0.04 -0.07 0.11 -0.12 0.00 -0.09 0.15 0.03 -0.05 0.12 0.01 0.00 0.03 -0.12 0.03 0.03 -0.14 0.06 -0.15 0.24 0.03 -0.07 0.18 0.18 -0.17 0.21 -0.07 0.13 0.10 -0.08 0.09 0.05 -0.06 0.15 0.07 0.06 0.11 0.01 0.04 0.10 0.03 -0.01 0.11 0.06 -0.01 -0.08 -0.05 -0.02 -0.03 -0.03 0.00 -0.06 -0.06 -0.10 -0.15 -0.03 -0.11 -0.20 0.00 -0.06 -0.11 -0.05 0.05 0.11 0.05 0.03 0.13 0.08 0.12 0.01 0.03 -0.09 -0.04 0.17 -0.11 -0.02 0.15 -0.11 -0.03 0.14 0.02 0.03 -0.12 0.02 0.02 -0.12 0.03 0.06 -0.07 0.04 0.02 -0.08 0.05 0.02 -0.12 -0.04 -0.04 0.00 0.03 0.04 -0.11 -0.06 -0.00 -0.01 0.13 0.02 0.07 0.07 0.11 -0.03 -0.09 0.04 0.10 0.09 0.03 0.07 0.12 0.05 0.09 -0.06 0.01 -0.03 -0.02 0.03 -0.09 0.06 -0.01 0.06 -0.04 0.01 -0.05 0.06 0.10 0.05 -0.02 0.11 0.06 -0.09 0.04 0.12 -0.08 0.03 0.12 0.03 0.11 -0.11 0.06 0.07 -0.08 -0.01 0.13 -0.09 0.10 -0.00 -0.04 0.06 0.01 -0.00 0.09 0.04 -0.02 0.10 -0.08 -0.10 0.04 -0.06 -0.08 0.12 -0.06 -0.08 0.04 -0.02 -0.08 0.07 -0.04 -0.09 0.04 0.00 -0.03 -0.18 -0.16 -0.04 -0.16 -0.09 -0.01 -0.13 -0.10 -0.06 -0.12 -0.03 -0.04 -0.11 -0.03 -0.05 -0.13 -0.01 -0.04 0.12 -0.15 0.27 0.06 -0.12 0.24 0.01 -0.12 0.18 -0.03 0.09 -0.15 -0.01 0.09 -0.09 -0.05 0.14 -0.09 -0.18 0.02 0.01 -0.20 0.03 0.11 0.09 0.04 -0.00 -0.13 0.05 -0.09 0.11 -0.04 0.13 -0.01 -0.11 -0.16 -0.09 0.19 0.04 0.11 -0.03 -0.01 -0.02 0.11 -0.04 0.00 0.02 -0.08 0.07 0.16 -0.07 -0.00 0.07 -0.04 -0.06 0.03 -0.01 0.12 0.12 -0.02 -0.11 0.17 0.03 -0.14 0.12 0.00 0.11 -0.01 0.08 0.04 0.03 0.05 -0.13 -0.11 -0.02 -0.10 -0.12 0.00 -0.18 -0.10 -0.02 -0.02 -0.07 0.04 -0.02 -0.06 0.06 -0.04 -0.03 0.08 -0.15 -0.11 0.08 -0.06 -0.11 0.01 -0.13 -0.11 0.06 0.20 0.09 0.16 0.12 0.04 0.13 0.18 -0.01 0.06 0.07 -0.03 0.01 0.05 -0.10 -0.00 0.05 -0.04 0.01 0.11 -0.15 -0.13 0.12 -0.22 -0.13 0.09 -0.04 -0.10 0.00 0.05 0.12 -0.02 0.07 0.09 0.00 0.05 0.12 0.04 0.01 0.00 0.03 0.06 -0.02 0.09 0.03 0.03 -0.15 0.02 -0.08 -0.17 0.06 0.00 -0.00 -0.12 -0.12 -0.08 0.01 -0.09 -0.01 -0.08 -0.07 0.03 0.16 -0.02 -0.13 0.08 0.03 0.10 -0.09 0.04 0.04 -0.01 -0.07 0.06 0.06 -0.03 -0.14 -0.02 0.03 -0.08 0.03 -0.01 0.05 0.01 -0.05 -0.17 -0.02 0.04 -0.14 0.07 -0.04 -0.06 0.06 -0.05 0.10 -0.13 0.03 0.12 -0.12 0.00 0.03 0.20 -0.08 -0.01 0.08 -0.06 0.04 0.29 0.01 -0.03 -0.17 -0.03 -0.02 -0.18 -0.04 -0.04 -0.13 -0.02 -0.01 -0.01 0.16 0.01 -0.00 0.12 -0.22 0.02 0.32 -0.11 -0.06 0.08 -0.11 -0.07 0.07 -0.09 -0.02 0.08 -0.06 -0.05 0.01 -0.05 -0.03 0.04 -0.03 -0.04 -0.00 0.12 -0.01 0.06 0.17 0.01 -0.02 0.03 -0.00 0.04 -0.02 -0.03 0.07 -0.09 0.00 0.04 -0.02 -0.03 0.06 0.05 0.00 -0.06 0.04 -0.00 -0.08 0.06 0.03 -0.03 0.15 0.04 -0.13 0.17 0.03 -0.19 0.02 0.17 -0.07 0.12 0.04 -0.10 0.02 0.12 0.03 0.10 -0.07 -0.05 -0.04 0.03 -0.02 0.12 -0.03 -0.00 -0.13 -0.01 0.01 -0.09 -0.03 0.01 -0.11 -0.03 0.08 -0.10 -0.03 0.06 -0.14 -0.01 0.03 -0.08 -0.02 0.03 -0.03 0.04 0.01 -0.06 0.02 -0.01 0.12 0.00 -0.02 0.08 0.00 0.01 -0.06 -0.01 -0.03 -0.06 -0.01 -0.03 -0.03 0.00 -0.02 -0.01 -0.03 -0.01 0.02 -0.02 -0.01 -0.02 -0.03 0.03 -0.05 0.18 -0.12 0.05 0.10 -0.05 0.29 0.07 -0.48 -0.04 -0.05 -0.10 -0.03 0.07 -0.04 -0.03 -0.01 -0.10 0.05 0.03 -0.02 0.04 0.07 -0.11 -0.05 -0.01 0.01 0.20 0.03 0.13 0.25 0.02 0.05 0.11 0.02 0.10 0.19 -0.02 0.09 0.14 0.00 0.06 0.14 -0.01 0.07 -0.14 -0.05 0.09 -0.15 -0.05 0.07 -0.13 -0.05 0.10 -0.09 -0.01 -0.04 -0.09 -0.03 -0.01 0.09 -0.07 -0.04 -0.11 -0.02 0.00 0.10 -0.07 -0.02 0.04 -0.08 0.06 -0.14 -0.02 0.07 -0.06 0.10 0.17 -0.04 0.15 0.12 -0.04 0.08 0.09 0.05 0.02 -0.03 0.04 0.00 -0.03 -0.09 0.05 0.08 0.06 0.02 -0.03 -0.08 0.06 -0.02 0.07 0.02 -0.04 -0.07 0.01 0.16 0.02 0.02 0.10 -0.02 -0.09 0.02 -0.03 -0.09 0.01 -0.10 -0.12 -0.02 -0.03 -0.04 -0.01 -0.08 -0.02 0.04 -0.04 0.00 -0.02 -0.12 0.02 -0.09 -0.14 0.02 -0.08 -0.07 0.02 -0.13 0.01 0.04 -0.05 0.00 0.04 -0.05 0.01 0.05 -0.04 -0.00 0.03 -0.04 0.01 0.07 -0.04 -0.02 -0.05 -0.03 -0.18 0.04 -0.04 -0.16 -0.05 -0.02 -0.12 0.02 -0.03 0.12 -0.02 0.07 0.06 0.01 0.04 0.07 -0.00 0.05 -0.03 -0.14 -0.02 -0.03 -0.07 -0.00 0.01 -0.17 -0.04 0.37 0.03 -0.13 0.40 -0.02 -0.24 0.05 -0.08 0.05 0.26 0.01 -0.03 0.04 -0.07 0.05 -0.00 0.03 -0.02 -0.01 0.02 0.03 -0.00 0.01 0.02 -0.03 0.05 -0.02 0.01 0.03 -0.02 -0.02 -0.03 -0.03 -0.02 -0.03 -0.03 -0.09 -0.03 -0.02 -0.00 -0.04 -0.02 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.03 -0.00 0.02 0.02 0.03 0.06 0.00 0.02 0.04 0.01 0.07 0.10 0.04 -0.00 0.01 0.01 -0.00 0.01 0.02 0.00 0.00 0.01 0.02 0.00 -0.03 0.07 -0.05 0.01 0.68 -0.10 -0.57 0.09 -0.12 0.10 0.08 0.02 0.17 0.11 -0.12 0.04 -0.01 -0.02 0.01 -0.02 -0.05 0.01 -0.02 -0.03 0.01 -0.03 0.00 -0.01 -0.06 0.10 0.00 -0.04 -0.01 -0.01 -0.08 0.03 -0.04 -0.06 0.02 -0.03 -0.04 0.02 -0.02 -0.02 -0.03 0.02 -0.03 0.00 -0.01 0.03 -0.04 0.01 0.02 -0.00 -0.00 0.02 -0.01 -0.01 0.01 0.03 -0.03 0.01 -0.01 0.02 0.01 0.05 -0.03 0.02 0.00 0.10 0.00 0.05 0.05 0.01 0.00 0.03 -0.02 -0.01 0.02 -0.02 0.01 0.02 -0.04 -0.00 0.02 -0.05 -0.03 -0.02 0.03 0.06 0.02 0.06 -0.01 -0.02 -0.02 0.03 0.02 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.02 0.05 -0.01 0.01 0.05 -0.01 0.03 0.06 -0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.08 0.06 -0.04 -0.12 0.10 -0.06 -0.63 0.14 0.39 0.24 -0.12 -0.13 0.20 -0.12 -0.13 0.25 -0.11 -0.13 -0.03 -0.04 0.01 -0.04 -0.08 0.01 -0.03 -0.03 0.00 0.03 0.01 0.01 0.12 -0.15 -0.05 0.01 0.01 0.00 -0.10 0.04 -0.06 -0.08 0.03 -0.05 -0.07 0.03 -0.04 -0.03 -0.02 0.02 -0.02 -0.02 0.03 -0.03 -0.02 0.03 0.00 -0.00 0.01 0.00 -0.01 0.01 0.03 0.00 0.06 -0.01 -0.00 0.02 0.03 0.02 0.02 0.02 -0.01 -0.23 -0.03 0.04 0.01 0.04 0.05 0.05 0.00 -0.01 0.05 -0.04 -0.05 0.04 -0.00 0.01 0.00 -0.00 0.02 0.01 0.04 0.04 0.01 -0.01 0.01 0.01 -0.03 0.04 -0.00 -0.02 0.03 -0.01 0.03 0.05 0.09 0.03 0.05 0.09 0.05 0.04 0.00 0.04 0.02 0.00 0.23 0.14 0.11 -0.01 0.04 0.00 -0.01 0.06 0.03 -0.00 0.03 0.00 0.23 -0.11 0.02 0.10 -0.03 -0.01 -0.23 0.01 0.47 0.00 0.04 -0.02 0.03 -0.08 -0.08 -0.02 0.00 0.02 -0.05 -0.02 -0.08 -0.07 -0.04 -0.16 -0.15 -0.07 -0.04 -0.01 0.00 -0.02 -0.00 -0.00 -0.03 -0.02 0.00 -0.03 -0.03 0.03 -0.04 -0.02 0.02 -0.04 -0.02 0.02 -0.04 -0.21 -0.13 0.16 -0.22 -0.14 0.18 -0.22 -0.13 0.16 0.03 0.04 0.03 0.04 0.00 -0.01 0.01 -0.01 -0.18 -0.05 0.03 0.11 0.02 -0.01 -0.14 -0.02 -0.01 0.01 0.07 0.03 0.01 0.23 0.02 -0.24 -0.02 0.01 0.02 -0.02 -0.00 0.01 -0.13 0.01 0.08 -0.15 -0.01 0.07 -0.03 -0.01 0.01 -0.07 0.01 0.04 0.02 -0.02 0.00 0.00 -0.03 0.00 0.22 0.09 -0.10 0.09 0.07 -0.02 0.05 -0.03 0.10 0.02 -0.06 0.11 0.29 0.08 0.23 0.04 -0.15 -0.01 0.07 -0.15 -0.01 0.03 -0.15 0.00 -0.03 -0.07 -0.01 -0.03 -0.08 -0.00 -0.07 -0.07 0.01 0.04 0.03 -0.02 0.03 -0.02 -0.04 0.03 -0.00 -0.03 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 0.02 0.01 -0.16 0.11 -0.07 -0.35 0.49 0.05 -0.13 0.07 -0.10 -0.00 0.01 0.03 -0.00 0.01 0.03 -0.00 0.01 0.03 -0.01 0.04 0.00 -0.00 0.02 0.00 -0.02 0.06 0.03 -0.02 -0.03 -0.04 -0.04 -0.01 0.02 -0.00 -0.02 -0.00 0.01 -0.03 -0.05 -0.02 0.00 0.02 -0.10 -0.02 -0.04 0.18 -0.14 -0.06 -0.08 0.03 0.10 -0.00 -0.03 0.01 -0.03 -0.04 0.00 -0.07 0.05 -0.00 -0.12 0.02 0.05 0.02 0.00 0.01 -0.03 0.05 -0.01 0.18 -0.15 -0.01 0.14 -0.14 0.01 -0.08 -0.01 0.06 -0.02 -0.01 0.04 0.06 0.01 0.09 -0.02 0.01 0.04 0.39 0.14 0.22 -0.14 -0.00 -0.12 -0.10 0.06 -0.05 -0.12 -0.10 -0.15 0.03 0.06 -0.00 -0.00 0.11 -0.05 0.01 0.11 0.08 0.04 -0.04 0.03 0.05 -0.01 0.05 0.03 -0.07 0.02 0.04 0.04 -0.01 0.02 -0.04 -0.04 0.01 0.04 0.01 0.05 -0.06 -0.06 0.19 -0.33 -0.17 0.00 -0.02 -0.06 -0.01 0.08 0.17 0.04 0.03 0.22 -0.02 0.07 0.12 -0.03 0.07 0.01 -0.02 0.00 0.02 -0.08 0.11 0.06 0.02 -0.00 -0.14 0.01 -0.03 -0.05 -0.05 -0.04 -0.05 0.01 -0.02 -0.10 -0.11 0.03 0.06 -0.01 -0.09 -0.03 -0.02 0.15 0.02 -0.06 0.00 0.01 0.03 -0.04 0.06 0.01 -0.07 0.05 -0.12 0.04 0.03 -0.15 0.03 0.07 0.05 -0.02 0.07 -0.09 0.05 0.00 -0.05 0.11 -0.00 -0.06 0.12 -0.01 -0.05 -0.00 -0.02 -0.03 -0.03 -0.01 0.10 -0.00 0.07 0.08 0.01 0.06 0.56 0.18 0.27 0.05 -0.01 -0.02 0.01 -0.02 -0.02 0.05 0.05 -0.03 -0.04 0.11 0.01 -0.03 0.15 -0.05 0.10 0.13 -0.05 -0.04 0.04 0.03 -0.03 0.06 0.05 -0.05 -0.01 0.01 0.00 0.01 0.00 0.02 0.04 0.05 0.05 -0.01 -0.01 0.01 -0.06 -0.11 0.14 -0.31 -0.20 -0.03 -0.02 -0.11 0.01 -0.08 -0.08 -0.01 -0.04 -0.13 -0.01 -0.06 -0.04 0.05 -0.06 -0.06 0.06 -0.03 -0.02 0.04 -0.09 -0.11 0.00 0.02 0.12 0.01 0.03 0.05 -0.01 -0.09 -0.07 0.01 0.04 0.07 -0.01 -0.09 -0.03 -0.09 -0.12 -0.09 -0.30 -0.28 0.02 0.08 -0.00 0.05 -0.01 -0.14 0.05 -0.04 -0.16 0.05 0.02 -0.10 0.00 0.09 -0.03 -0.03 0.02 -0.10 0.06 -0.04 -0.08 -0.01 -0.15 -0.09 0.01 -0.03 -0.11 0.01 0.07 0.00 0.12 0.04 0.01 0.13 0.10 0.12 -0.13 0.15 0.12 -0.12 0.30 0.23 -0.01 0.06 0.17 0.13 0.07 0.15 0.09 0.07 0.16 0.12 -0.08 0.01 -0.02 -0.06 -0.01 0.00 -0.06 -0.02 -0.07 0.04 0.07 0.00 0.02 0.03 -0.02 0.01 -0.02 -0.04 0.07 0.06 0.04 0.06 0.03 0.02 0.07 0.09 0.04 -0.04 0.04 0.01 -0.07 0.09 0.02 -0.03 -0.02 -0.01 -0.02 -0.04 0.03 -0.03 -0.04 0.03 -0.02 -0.05 0.03 0.01 0.12 -0.05 0.04 -0.01 -0.01 -0.11 0.16 0.00 0.01 -0.08 -0.09 -0.01 -0.04 -0.00 -0.06 -0.14 -0.15 0.06 -0.08 -0.13 -0.09 -0.09 -0.01 -0.00 -0.06 -0.07 -0.01 0.01 0.05 0.03 0.01 0.01 0.01 -0.05 0.05 0.01 -0.10 0.04 0.15 0.39 0.03 0.03 0.26 0.03 -0.01 -0.08 0.06 0.28 0.37 0.05 -0.01 0.01 0.02 0.00 -0.00 0.01 0.03 0.03 0.02 0.02 0.01 0.04 0.03 0.04 0.01 0.02 0.02 0.01 0.19 0.13 0.11 0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.01 -0.07 -0.07 0.07 -0.01 -0.09 0.04 0.19 -0.10 -0.12 -0.15 -0.30 -0.18 -0.09 -0.05 -0.07 -0.09 -0.09 -0.09 0.02 0.00 0.02 0.01 -0.02 0.03 0.03 0.02 0.02 -0.03 -0.01 0.06 -0.16 0.10 0.21 0.04 0.13 0.14 -0.02 -0.01 -0.02 -0.01 -0.00 -0.03 -0.02 -0.01 -0.01 0.01 0.03 -0.02 0.02 -0.01 -0.00 -0.03 0.05 -0.01 0.01 -0.03 -0.02 -0.00 -0.02 0.01 -0.00 -0.07 -0.07 0.02 -0.03 -0.04 -0.01 -0.06 -0.03 -0.17 -0.01 0.07 -0.24 -0.26 -0.22 -0.06 -0.05 -0.08 -0.01 0.18 -0.02 -0.05 0.15 -0.05 0.03 0.06 0.01 0.01 0.03 -0.02 -0.02 0.15 -0.07 0.06 0.04 0.04 -0.11 -0.11 -0.11 -0.08 -0.03 -0.06 -0.05 -0.01 -0.16 -0.04 -0.01 -0.18 0.02 0.02 -0.05 0.10 -0.00 0.01 0.12 0.11 0.06 0.15 -0.05 0.14 0.09 -0.14 0.05 0.16 0.04 0.10 0.11 0.02 -0.05 0.04 0.06 -0.05 -0.19 0.07 0.19 0.03 -0.10 0.05 0.06 -0.08 0.07 0.03 -0.10 0.08 0.06 0.12 -0.05 0.06 0.13 -0.10 0.01 0.03 -0.03 0.00 -0.04 -0.00 0.01 -0.12 0.02 0.02 0.02 0.02 0.04 -0.08 0.14 -0.01 -0.07 0.13 0.01 -0.08 0.10 -0.04 -0.07 0.01 -0.05 0.03 0.01 0.02 -0.14 -0.08 -0.03 0.07 0.03 -0.00 0.04 -0.07 -0.12 -0.02 -0.01 -0.09 0.07 0.09 -0.18 0.03 0.11 0.10 0.03 -0.02 -0.13 -0.11 0.15 0.01 -0.01 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.03 0.02 0.03 0.05 0.03 0.04 0.01 0.03 0.06 0.02 0.02 0.03 0.06 -0.07 -0.03 0.07 0.02 -0.10 0.04 0.02 0.04 -0.05 0.01 0.03 -0.04 -0.02 -0.05 -0.01 0.00 -0.04 0.01 -0.22 -0.13 -0.10 0.09 -0.03 0.05 0.08 -0.06 0.02 0.07 0.02 0.09 0.09 0.16 -0.05 -0.03 0.25 -0.08 -0.07 0.24 0.17 -0.07 -0.05 0.09 -0.04 -0.00 0.11 -0.06 -0.01 0.11 -0.05 -0.09 0.04 -0.04 -0.06 0.02 -0.05 0.00 0.04 -0.10 -0.13 -0.08 -0.01 -0.47 -0.07 -0.04 -0.02 -0.03 0.01 0.08 -0.07 0.00 0.05 -0.05 0.04 0.06 -0.09 -0.02 0.13 0.06 -0.02 0.03 0.05 -0.07 0.22 0.18 0.02 -0.11 -0.12 0.00 -0.12 -0.04 0.09 0.04 0.03 0.02 -0.11 -0.14 0.11 0.03 -0.05 0.02 -0.06 -0.02 -0.17 -0.30 -0.22 -0.02 0.01 -0.03 0.09 -0.03 0.05 0.08 -0.07 0.03 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.08 -0.04 0.08 -0.02 0.01 -0.04 -0.04 -0.14 -0.07 -0.03 -0.06 -0.02 -0.02 0.01 -0.04 -0.02 -0.02 -0.02 0.03 0.00 -0.02 0.06 0.00 -0.01 0.10 0.04 0.02 0.06 -0.00 0.06 0.03 -0.04 0.03 0.07 0.03 0.04 -0.11 0.03 0.08 -0.01 -0.01 0.07 0.22 -0.04 -0.21 -0.01 0.05 -0.07 -0.03 0.08 -0.05 -0.02 0.03 -0.10 -0.18 -0.14 -0.11 -0.16 -0.13 -0.01 -0.10 -0.13 -0.15 0.01 -0.01 -0.01 -0.01 0.05 -0.01 -0.01 -0.02 -0.01 0.06 0.26 0.04 0.07 0.15 0.15 0.01 0.25 -0.11 0.13 -0.08 0.11 0.11 -0.02 0.08 0.23 -0.06 0.15 -0.04 0.13 0.01 -0.04 0.18 0.00 0.06 -0.07 -0.03 0.02 0.10 0.08 0.03 0.01 0.02 -0.03 0.04 -0.04 0.13 0.10 -0.16 0.20 -0.02 -0.07 -0.01 -0.16 -0.05 -0.02 -0.08 -0.01 0.08 -0.01 0.06 0.13 0.01 0.01 0.07 -0.02 -0.02 0.06 -0.01 0.07 0.06 -0.00 -0.08 -0.03 0.07 -0.04 0.19 0.05 0.09 0.06 0.05 0.15 -0.03 0.04 -0.04 -0.06 0.02 -0.05 -0.37 -0.09 -0.18 -0.10 0.01 -0.00 -0.03 0.05 0.02 -0.08 -0.08 -0.03 0.01 0.15 -0.08 -0.06 0.16 -0.04 -0.22 0.16 0.07 -0.03 -0.08 0.09 -0.02 -0.02 0.12 -0.01 -0.05 0.09 0.00 0.04 -0.05 0.00 0.02 0.00 0.03 -0.03 -0.06 -0.15 -0.08 -0.04 -0.22 -0.13 0.09 -0.03 -0.02 0.00 -0.02 -0.01 0.07 -0.01 -0.00 0.07 -0.03 -0.00 0.06 0.07 -0.12 -0.05 0.07 -0.08 -0.04 0.07 -0.18 -0.14 -0.02 0.12 0.10 -0.04 0.20 0.13 -0.02 0.03 0.01 0.06 0.12 0.11 -0.03 0.03 0.03 0.00 -0.14 -0.12 0.24 0.20 0.06 -0.07 0.05 -0.07 0.09 0.04 0.21 0.00 -0.10 0.14 0.11 -0.08 -0.09 0.17 -0.00 -0.05 0.11 0.03 0.16 -0.02 -0.07 -0.05 0.12 0.05 0.03 0.03 0.03 0.02 -0.06 0.05 -0.19 -0.01 -0.03 -0.13 -0.03 0.22 -0.01 -0.07 0.02 0.05 -0.22 0.30 0.08 -0.09 -0.18 0.08 -0.08 -0.24 0.00 -0.09 -0.17 0.04 -0.05 0.05 -0.07 -0.02 -0.01 0.02 -0.22 -0.01 -0.07 -0.00 0.04 0.04 -0.01 0.02 0.04 -0.03 -0.04 0.01 0.01 0.01 0.01 -0.01 -0.10 0.04 0.03 0.01 0.01 -0.02 -0.03 0.11 -0.06 0.00 0.16 0.05 -0.05 0.12 -0.05 0.00 -0.01 0.01 0.02 -0.02 -0.06 0.02 0.02 -0.01 0.02 -0.02 0.02 -0.01 0.08 -0.09 0.03 -0.00 0.01 -0.01 -0.00 0.02 -0.05 -0.06 -0.01 -0.14 -0.11 -0.04 0.00 -0.02 0.00 -0.13 -0.07 0.01 0.07 -0.04 0.01 -0.00 -0.00 0.00 0.03 0.02 0.03 -0.01 0.02 0.07 -0.04 0.02 0.01 -0.07 0.01 0.04 -0.04 -0.00 0.00 -0.04 0.07 0.04 -0.03 -0.09 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.01 0.06 -0.02 0.02 0.04 -0.00 -0.04 -0.00 0.00 -0.03 -0.02 0.02 -0.26 -0.07 -0.08 0.03 -0.05 0.02 0.03 -0.06 0.02 0.03 -0.04 0.02 -0.00 0.07 0.25 -0.00 0.14 0.15 0.62 0.10 -0.07 0.06 0.05 -0.20 0.04 0.12 -0.16 0.08 0.09 -0.20 0.06 0.08 -0.00 0.04 0.02 -0.04 0.02 0.04 0.02 -0.06 -0.11 -0.03 0.00 -0.29 -0.06 -0.04 -0.10 -0.03 -0.08 -0.07 0.05 -0.06 -0.05 0.03 -0.06 -0.07 0.08 -0.07 -0.01 -0.02 -0.06 -0.02 0.01 -0.10 -0.04 -0.05 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.08 0.01 -0.02 0.01 0.01 0.01 0.03 0.00 -0.12 -0.07 0.09 0.15 0.22 0.20 0.06 -0.07 -0.05 0.01 0.07 -0.09 0.00 0.08 -0.10 0.05 -0.03 0.01 0.05 -0.02 0.03 -0.00 0.07 -0.08 0.04 -0.01 -0.01 0.04 0.08 0.09 0.02 0.02 0.05 0.05 -0.06 0.01 0.02 -0.01 -0.03 0.00 0.06 -0.05 -0.01 0.04 -0.06 0.22 0.16 0.07 -0.10 0.02 0.01 -0.04 0.04 0.00 -0.09 -0.04 0.01 0.02 0.05 0.07 0.01 0.05 0.07 0.12 0.04 -0.00 0.01 0.00 -0.04 0.01 0.04 -0.02 0.00 -0.02 -0.04 -0.09 0.03 -0.20 -0.08 0.10 -0.25 -0.15 -0.02 -0.18 -0.05 -0.05 -0.02 -0.14 0.04 0.07 -0.00 -0.04 -0.00 0.08 -0.13 -0.05 0.02 -0.09 -0.09 0.00 -0.10 -0.08 0.10 0.05 0.21 0.06 0.06 0.07 0.24 0.18 0.38 -0.00 -0.06 -0.04 -0.01 -0.03 0.00 -0.11 -0.07 -0.02 0.04 -0.07 -0.04 -0.13 -0.07 0.04 -0.07 -0.16 0.08 0.07 0.07 -0.11 0.07 -0.11 -0.09 -0.11 0.14 -0.06 -0.08 0.10 -0.10 0.04 -0.03 0.08 0.09 0.02 0.05 -0.17 0.06 -0.06 0.02 0.00 0.02 0.05 0.04 -0.06 -0.03 0.04 -0.07 0.06 -0.10 -0.01 0.01 -0.04 -0.06 0.05 0.08 -0.08 0.02 0.05 -0.10 0.10 0.12 -0.04 -0.13 0.03 0.05 -0.09 0.02 0.01 -0.11 -0.02 0.00 0.11 0.01 0.10 0.03 0.09 0.03 0.22 0.10 0.17 -0.01 0.03 -0.08 0.01 0.02 -0.09 -0.03 -0.03 -0.08 0.01 -0.14 0.20 0.03 -0.08 0.24 0.07 -0.04 0.19 -0.05 -0.04 -0.06 -0.09 -0.03 0.00 0.00 -0.02 -0.05 0.12 0.16 -0.04 0.13 0.16 -0.04 0.14 0.17 -0.03 -0.08 -0.01 -0.13 -0.08 0.08 -0.13 -0.05 -0.11 -0.27 0.00 -0.02 0.06 0.02 -0.06 -0.02 0.01 -0.18 -0.02 -0.06 -0.01 0.04 -0.05 -0.05 -0.00 -0.01 0.06 0.03 -0.02 -0.00 -0.02 0.01 0.03 0.03 -0.02 -0.05 -0.03 -0.00 0.02 0.01 0.04 -0.01 -0.12 -0.08 -0.10 -0.00 0.01 0.00 -0.01 0.07 -0.04 -0.08 -0.01 0.01 -0.02 -0.00 0.01 -0.02 0.02 0.06 0.02 0.00 0.05 0.04 -0.13 -0.05 -0.03 -0.04 -0.02 0.02 0.73 0.33 0.39 0.02 -0.03 -0.01 0.02 -0.02 0.01 0.01 -0.01 0.00 0.02 0.04 0.01 0.00 0.00 0.08 -0.06 0.00 0.00 0.02 0.01 0.00 0.02 0.04 0.01 0.03 0.04 0.02 -0.00 -0.03 0.03 0.01 0.05 0.03 0.01 -0.01 0.03 -0.03 -0.06 0.09 -0.09 -0.00 0.15 0.02 -0.06 0.11 0.05 0.03 -0.01 0.03 0.03 -0.01 0.05 0.02 -0.01 -0.01 0.00 -0.02 -0.01 -0.02 -0.02 -0.03 -0.00 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.04 -0.03 0.09 -0.10 0.03 -0.01 -0.00 -0.02 0.04 0.02 0.09 0.05 -0.00 0.02 -0.04 0.06 0.02 -0.15 -0.16 0.07 0.07 0.09 0.06 0.06 0.09 0.02 -0.01 0.06 -0.02 -0.05 0.07 0.09 0.09 0.09 0.07 -0.01 0.04 0.02 -0.03 0.06 0.02 -0.03 0.07 0.01 -0.14 -0.03 -0.06 -0.12 -0.04 -0.04 -0.07 -0.08 -0.00 0.01 -0.09 0.39 0.06 0.07 -0.05 0.07 0.01 -0.03 0.06 -0.02 -0.05 0.04 0.01 -0.02 0.06 -0.00 0.11 -0.04 0.06 -0.16 -0.04 -0.07 -0.01 -0.01 -0.00 -0.02 0.03 0.02 0.01 0.06 0.02 0.02 0.03 0.01 0.01 -0.05 0.01 0.02 0.01 0.01 0.02 -0.06 -0.08 -0.31 0.59 0.14 0.03 -0.01 -0.07 -0.07 -0.02 0.00 -0.03 -0.03 0.02 -0.06 -0.02 0.02 -0.03 -0.02 -0.02 -0.02 -0.00 0.04 -0.06 -0.05 -0.05 -0.02 0.06 -0.04 -0.01 0.02 -0.07 0.05 0.08 -0.07 -0.07 0.05 0.00 0.09 -0.01 -0.02 0.02 -0.08 0.05 0.11 0.02 0.41 -0.00 0.02 0.03 -0.09 -0.02 -0.09 -0.04 0.01 -0.08 0.00 0.00 -0.03 0.01 0.02 -0.01 -0.10 -0.02 -0.06 -0.03 0.00 -0.02 -0.00 -0.11 0.29 0.08 -0.09 0.32 0.00 0.07 -0.00 -0.02 0.08 0.01 0.01 0.04 0.01 0.00 0.01 0.02 0.05 0.08 0.05 0.03 -0.02 0.01 0.09 0.00 0.03 0.02 -0.08 0.08 0.04 -0.02 0.01 -0.03 0.02 -0.02 0.06 0.03 0.08 -0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 -0.02 0.03 0.07 0.22 0.07 0.06 -0.03 0.01 -0.00 0.01 0.03 0.09 -0.20 -0.02 0.01 -0.00 0.04 -0.01 -0.04 -0.08 0.00 -0.09 -0.04 0.04 -0.07 -0.08 0.02 -0.10 -0.07 0.01 -0.01 -0.09 0.07 -0.19 -0.18 -0.05 0.27 -0.18 -0.07 0.27 -0.02 0.01 -0.08 0.02 -0.02 0.23 -0.03 0.03 -0.07 -0.04 -0.04 -0.04 -0.01 -0.05 -0.04 0.01 -0.00 -0.06 -0.03 -0.01 0.00 -0.02 -0.04 -0.01 -0.03 -0.06 0.03 -0.11 -0.05 0.05 -0.09 0.04 0.10 0.01 -0.09 0.03 -0.10 -0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.03 -0.07 0.03 0.02 0.07 0.02 0.09 0.02 0.01 0.06 -0.34 -0.17 -0.12 0.05 0.01 -0.06 0.03 0.04 -0.02 0.04 0.02 -0.04 0.03 0.08 0.03 0.14 -0.06 0.17 -0.22 -0.06 -0.04 0.02 0.02 -0.01 0.03 0.07 0.02 0.00 -0.04 -0.03 -0.00 -0.01 0.01 0.02 0.06 0.01 0.00 -0.00 0.01 0.02 -0.14 0.05 -0.32 0.62 0.26 -0.03 -0.06 0.08 0.02 0.00 -0.01 0.01 0.00 -0.01 0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.03 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.04 -0.01 -0.06 0.08 0.03 -0.01 -0.01 -0.03 0.00 -0.00 -0.13 0.09 -0.05 0.05 0.06 0.07 -0.02 0.03 -0.01 0.06 -0.03 0.06 -0.01 -0.04 0.05 0.01 -0.01 0.05 0.02 -0.02 0.02 0.08 -0.01 0.03 0.05 -0.01 0.03 0.00 0.01 0.03 0.01 0.01 0.03 -0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.11 -0.05 -0.05 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.04 -0.00 -0.00 0.02 -0.02 -0.00 -0.01 -0.03 -0.06 0.04 -0.03 -0.00 0.03 -0.02 0.01 0.05 -0.01 0.00 -0.01 -0.09 0.02 0.21 0.83 0.01 0.04 -0.05 0.01 0.02 0.01 -0.04 -0.00 0.09 -0.04 0.01 0.01 -0.05 0.10 0.00 -0.04 0.02 -0.02 -0.03 0.23 -0.08 -0.04 -0.03 -0.01 -0.01 -0.01 -0.05 0.05 -0.09 0.04 0.04 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.10 0.07 -0.02 -0.01 0.01 -0.02 -0.14 0.13 0.02 -0.01 -0.01 0.01 -0.05 -0.05 0.01 -0.13 0.15 -0.05 -0.10 -0.07 -0.05 -0.06 -0.02 -0.02 0.06 -0.05 0.15 0.09 -0.03 0.11 -0.05 0.04 0.02 0.08 -0.02 0.09 0.00 0.02 -0.01 0.05 -0.01 -0.02 -0.14 0.17 0.04 -0.19 0.16 0.09 -0.07 0.04 -0.03 -0.04 -0.03 0.03 -0.00 0.16 0.09 0.02 -0.09 0.04 -0.04 -0.09 0.06 0.02 -0.02 0.03 0.02 -0.00 0.01 0.15 -0.06 0.01 -0.09 -0.05 -0.01 -0.00 -0.02 -0.02 -0.02 -0.02 -0.01 0.01 0.02 -0.01 -0.01 0.02 -0.00 -0.09 -0.35 0.01 -0.01 0.02 -0.00 0.13 -0.04 -0.14 -0.13 0.58 -0.00 0.08 -0.01 -0.15 0.02 -0.01 -0.00 0.03 0.01 -0.02 -0.05 0.04 -0.01 0.04 0.01 -0.01 0.03 -0.03 -0.05 0.03 0.02 0.01 0.04 -0.02 -0.01 0.00 0.07 0.17 -0.02 0.00 -0.03 0.16 -0.02 -0.02 -0.01 -0.02 -0.00 0.11 -0.06 0.03 0.03 0.03 -0.06 -0.02 0.01 -0.01 -0.07 0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.08 0.01 0.01 -0.02 0.01 -0.00 0.01 0.00 -0.05 -0.00 0.02 -0.04 -0.02 0.03 0.00 -0.04 0.03 0.00 0.02 -0.00 -0.03 0.02 -0.01 -0.02 0.09 0.03 0.02 -0.02 -0.01 0.03 -0.03 -0.02 0.03 -0.01 -0.02 0.00 0.03 -0.00 0.00 0.02 0.00 -0.00 -0.01 0.01 0.04 -0.02 0.02 -0.00 -0.02 0.01 -0.01 -0.03 -0.00 -0.01 0.01 -0.03 -0.04 0.22 0.87 -0.06 0.03 -0.04 -0.05 0.01 -0.01 0.00 -0.02 0.06 0.02 0.01 -0.00 0.01 -0.13 0.02 0.05 -0.11 -0.02 0.09 0.05 -0.08 0.08 0.03 0.01 0.01 0.03 0.02 -0.02 0.08 0.07 0.09 0.01 -0.03 0.02 0.00 0.00 0.05 0.11 -0.06 -0.00 0.05 -0.02 -0.02 0.12 -0.04 -0.03 -0.00 0.06 0.01 0.41 0.48 0.25 -0.04 0.09 0.05 0.03 -0.04 -0.03 0.03 0.00 -0.01 -0.09 0.06 -0.06 -0.08 0.04 -0.13 0.05 0.01 -0.01 -0.05 0.04 -0.03 0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.04 0.10 -0.02 -0.00 0.08 -0.00 0.17 -0.13 -0.14 0.18 -0.10 -0.16 0.08 -0.20 -0.22 -0.13 -0.03 0.20 -0.06 -0.05 0.14 -0.07 -0.17 0.07 -0.01 0.01 -0.00 0.03 -0.03 0.04 -0.06 -0.04 -0.05 0.01 0.00 0.01 0.01 0.02 0.02 0.01 0.00 0.01 -0.00 0.01 0.01 -0.06 -0.22 -0.00 -0.02 0.01 0.02 0.02 -0.02 0.03 0.02 0.07 -0.01 -0.07 0.01 0.03 0.03 -0.01 0.00 -0.05 0.04 -0.05 -0.00 0.02 -0.00 -0.02 -0.00 0.00 -0.02 -0.03 0.00 -0.05 -0.01 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.00 0.04 0.05 -0.03 0.02 -0.00 -0.00 -0.00 0.08 0.04 0.01 -0.02 -0.00 0.53 0.67 0.37 -0.01 -0.04 0.01 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.01 0.02 0.02 -0.01 0.04 0.00 0.00 0.01 0.01 -0.01 0.01 -0.07 -0.08 -0.06 -0.05 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 0.00 -0.02 -0.05 0.03 0.03 -0.02 0.05 0.05 -0.01 0.05 0.05 0.06 0.04 -0.04 0.13 0.09 0.00 0.09 -0.13 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -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 -0.01 -0.01 0.02 -0.00 0.01 -0.00 -0.02 0.01 0.02 0.03 -0.12 0.06 -0.03 0.00 0.02 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 -0.05 0.01 -0.03 0.02 -0.01 -0.01 -0.00 0.01 -0.01 0.03 0.03 -0.11 0.11 -0.08 -0.11 -0.06 0.00 0.16 0.12 0.31 -0.00 -0.23 0.31 0.06 -0.20 0.03 -0.00 0.03 0.05 0.03 0.04 0.34 0.08 -0.17 -0.02 0.01 0.02 0.01 0.01 -0.00 0.01 -0.01 -0.02 -0.00 0.08 0.05 0.13 0.10 -0.03 -0.01 0.04 0.01 -0.02 -0.01 0.03 0.01 0.09 0.06 0.01 -0.02 -0.00 -0.01 -0.01 0.03 0.00 0.00 0.01 -0.10 0.03 -0.02 0.02 -0.07 0.06 -0.10 -0.10 -0.21 -0.06 0.01 0.04 -0.07 0.03 0.05 -0.06 -0.04 -0.02 0.03 -0.01 0.04 0.05 0.16 -0.10 -0.08 0.02 0.09 0.00 0.01 -0.03 0.01 0.06 -0.07 -0.03 -0.02 -0.05 -0.04 0.02 0.00 -0.00 0.01 0.01 0.02 -0.01 0.04 -0.20 -0.02 0.04 -0.21 -0.03 0.04 -0.23 -0.11 -0.08 0.00 -0.01 -0.01 0.03 -0.12 -0.09 0.03 -0.10 0.03 -0.14 -0.02 0.06 0.03 -0.10 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.04 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.02 0.02 -0.01 -0.06 -0.01 -0.06 -0.16 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.02 -0.02 0.02 0.01 0.04 -0.03 -0.06 -0.08 -0.01 -0.07 -0.00 0.14 0.55 0.76 0.00 0.01 0.02 -0.00 0.02 0.04 0.00 -0.00 0.00 0.04 0.08 -0.18 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.07 -0.08 0.34 0.00 -0.14 -0.12 0.02 0.01 -0.00 0.03 0.02 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.03 0.02 0.01 -0.03 -0.01 0.02 -0.01 0.01 -0.03 0.33 -0.09 -0.08 0.00 -0.01 -0.01 -0.16 0.00 0.04 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.07 -0.03 -0.01 -0.01 0.07 -0.04 -0.01 -0.01 -0.00 -0.03 0.04 -0.07 0.07 0.05 0.04 0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 0.02 0.02 0.00 0.01 0.01 -0.03 -0.08 0.08 0.08 0.04 0.03 0.00 -0.00 0.01 -0.05 0.04 -0.04 0.01 0.00 0.03 -0.01 -0.00 0.00 -0.01 -0.06 -0.01 -0.07 -0.02 -0.02 0.01 0.02 -0.02 -0.12 -0.04 0.75 0.01 -0.01 -0.01 0.16 -0.00 -0.00 -0.00 0.01 0.02 0.00 -0.00 0.00 -0.01 -0.02 0.06 0.00 -0.05 0.04 -0.02 0.00 0.00 -0.07 0.02 0.00 0.01 0.00 0.01 0.02 0.01 0.00 0.05 0.13 -0.00 0.08 0.05 -0.12 -0.00 0.00 -0.01 0.06 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.03 0.02 0.02 0.16 -0.26 0.40 -0.32 -0.32 -0.31 -0.00 -0.01 -0.01 0.04 0.18 0.08 0.01 0.03 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.10 0.08 -0.01 -0.04 -0.03 0.02 0.00 0.23 -0.09 -0.34 -0.22 -0.16 -0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.03 -0.08 0.07 -0.12 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.15 0.00 -0.00 0.00 0.02 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.02 0.03 -0.07 -0.00 -0.01 -0.03 0.00 0.02 -0.02 -0.06 0.03 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.05 -0.07 -0.03 -0.01 0.03 -0.00 -0.00 0.00 -0.05 0.05 0.03 -0.00 0.00 0.00 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.03 0.05 -0.09 0.09 0.06 0.05 0.00 0.00 0.00 0.03 -0.05 -0.02 -0.01 -0.02 0.04 -0.01 0.00 -0.03 0.07 -0.01 0.56 0.43 -0.10 -0.23 0.00 -0.00 -0.00 -0.05 -0.02 0.09 0.07 0.04 0.03 0.00 -0.01 0.01 0.01 -0.04 0.03 -0.10 0.02 -0.08 0.00 0.00 0.01 0.08 -0.26 0.24 -0.43 0.06 0.04 0.00 -0.01 0.00 -0.01 0.05 0.01 -0.00 0.00 0.01 0.07 0.01 -0.07 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.06 0.08 -0.24 0.00 -0.06 -0.12 0.01 0.02 -0.00 -0.04 0.03 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.03 0.04 0.07 -0.03 -0.02 0.00 -0.00 0.00 -0.01 0.02 -0.22 0.07 0.05 -0.00 -0.01 -0.00 -0.12 -0.01 0.04 -0.00 0.00 0.00 -0.01 0.03 -0.02 0.02 -0.02 -0.03 0.00 0.00 -0.00 0.05 0.02 -0.00 0.01 -0.06 0.02 -0.00 -0.00 0.00 0.01 -0.02 0.02 -0.00 -0.03 -0.04 -0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.01 -0.02 0.02 0.00 -0.01 0.02 -0.04 0.00 -0.32 -0.22 0.18 0.12 -0.00 0.01 0.00 -0.00 -0.09 0.05 0.07 0.00 0.01 -0.01 0.00 -0.00 0.03 -0.04 0.04 0.04 -0.03 -0.01 0.01 -0.00 -0.00 0.03 -0.29 0.00 -0.30 -0.00 -0.03 -0.00 -0.02 -0.00 -0.07 0.46 0.01 0.00 -0.01 0.01 0.44 -0.05 -0.06 0.01 0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.02 -0.08 -0.00 -0.06 -0.07 0.01 -0.00 0.00 0.10 -0.06 -0.02 -0.00 0.00 -0.01 -0.18 -0.18 0.05 -0.01 0.00 0.12 0.17 -0.07 0.04 0.00 0.00 0.00 -0.08 0.00 0.00 -0.01 0.00 0.01 -0.10 0.02 0.03 -0.01 0.02 0.02 -0.06 0.34 -0.16 0.22 -0.27 -0.29 0.00 -0.02 0.01 0.11 -0.05 -0.08 -0.01 -0.07 0.07 0.01 -0.00 -0.00 0.04 -0.04 0.05 -0.07 -0.06 -0.04 0.00 -0.01 0.01 -0.27 0.07 0.03 0.12 0.19 -0.21 0.00 0.00 -0.01 0.03 0.01 0.17 0.10 -0.12 -0.06 -0.00 0.01 -0.01 -0.04 -0.12 0.11 0.13 0.02 0.02 0.00 0.00 -0.00 0.04 0.01 -0.00 -0.03 0.02 0.01 -0.03 0.00 0.01 -0.07 0.16 -0.10 0.22 -0.03 -0.01 0.01 -0.01 -0.01 -0.02 0.13 0.06 -0.07 0.00 0.12 0.13 -0.04 0.05 -0.01 -0.06 -0.01 0.00 -0.01 -0.01 -0.02 -0.04 0.09 -0.01 0.06 0.12 -0.01 0.01 -0.01 -0.13 0.01 -0.02 0.01 -0.00 -0.00 -0.08 -0.08 0.09 0.01 0.00 -0.13 0.07 -0.00 -0.03 0.00 0.00 -0.01 0.11 -0.00 -0.01 -0.00 0.01 0.00 0.11 -0.02 -0.01 -0.02 0.02 0.02 -0.07 0.36 -0.17 0.26 -0.28 -0.30 -0.00 -0.02 0.01 0.06 -0.09 -0.11 -0.01 0.00 0.05 -0.01 -0.00 0.00 -0.04 0.03 -0.03 0.05 0.04 0.03 -0.01 0.00 -0.01 0.18 -0.03 -0.01 -0.05 -0.02 0.19 -0.00 -0.01 0.01 -0.03 -0.00 -0.20 -0.13 0.14 0.07 0.00 -0.01 -0.00 -0.01 0.08 -0.03 -0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.02 -0.01 0.00 0.04 -0.01 -0.01 0.09 -0.19 0.14 -0.26 0.04 0.01 -0.00 0.02 0.01 0.04 -0.26 -0.03 -0.01 -0.02 0.13 -0.24 0.06 -0.06 0.01 0.00 -0.03 -0.00 -0.01 0.01 0.02 0.04 -0.13 -0.01 -0.07 0.13 -0.00 0.01 -0.00 0.04 -0.05 -0.02 -0.00 0.01 0.00 -0.13 -0.24 -0.23 -0.03 -0.02 0.05 0.35 -0.12 0.07 -0.01 -0.00 0.00 -0.04 0.12 0.08 0.01 -0.00 -0.01 0.03 0.03 -0.06 0.01 0.01 -0.00 0.06 -0.09 0.07 -0.09 0.08 0.08 -0.01 0.01 -0.00 0.01 0.05 0.05 0.02 -0.06 -0.04 -0.00 -0.01 -0.01 0.01 0.07 -0.14 0.08 0.10 0.10 -0.00 -0.00 0.02 -0.32 -0.01 0.00 0.16 0.32 -0.17 0.00 -0.00 0.01 -0.01 0.00 -0.09 -0.05 0.09 0.03 -0.00 -0.02 0.02 0.09 0.18 -0.20 -0.26 0.02 -0.02 -0.00 0.01 -0.00 0.04 -0.05 0.05 -0.01 -0.01 -0.05 0.02 -0.00 0.00 0.04 -0.11 0.06 -0.15 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.14 0.16 -0.07 0.03 -0.01 -0.06 0.04 -0.09 -0.01 -0.07 -0.03 0.00 -0.01 -0.00 -0.07 -0.11 0.37 0.01 0.11 0.03 0.00 0.01 -0.00 -0.00 0.03 0.01 0.00 0.00 0.00 -0.07 -0.12 -0.09 -0.03 -0.07 -0.06 0.21 -0.04 -0.03 0.01 0.01 -0.02 0.15 -0.29 -0.19 0.00 -0.01 -0.00 0.09 -0.07 0.04 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.06 -0.05 -0.04 -0.02 0.11 0.02 -0.01 -0.00 -0.01 -0.06 0.06 -0.06 0.06 0.08 0.08 -0.01 -0.00 0.00 0.05 -0.01 -0.00 0.02 0.12 0.11 -0.00 -0.00 -0.01 0.01 0.02 0.06 0.03 -0.07 -0.02 -0.00 -0.02 0.02 0.08 0.15 -0.17 -0.19 -0.05 -0.03 0.00 -0.00 0.01 -0.04 0.14 -0.12 -0.01 0.05 0.12 -0.01 0.00 -0.01 -0.02 -0.04 -0.03 -0.01 0.03 0.03 -0.03 -0.01 0.02 -0.03 0.41 -0.29 -0.03 0.01 -0.01 0.26 -0.08 0.15 -0.01 -0.04 0.02 -0.00 0.00 -0.01 0.04 0.07 -0.25 -0.02 -0.13 0.09 0.02 -0.01 0.00 0.01 0.04 0.03 0.02 -0.00 0.00 0.05 0.04 0.00 -0.01 -0.06 -0.05 0.02 0.05 -0.10 -0.01 -0.00 0.01 -0.16 0.13 0.09 0.00 -0.00 -0.01 -0.05 -0.01 0.02 -0.01 0.00 0.01 -0.02 0.10 -0.04 0.08 -0.07 -0.07 -0.00 0.00 0.00 0.11 0.02 -0.02 0.00 -0.10 0.04 -0.02 -0.00 -0.01 -0.07 0.08 -0.09 0.10 0.11 0.10 -0.01 0.00 -0.01 0.34 -0.06 -0.03 -0.11 -0.10 0.32 0.00 0.00 -0.00 0.02 0.00 0.12 0.07 -0.09 -0.04 -0.00 -0.02 0.03 0.13 0.23 -0.26 -0.29 -0.08 -0.06 -0.00 0.00 -0.00 0.04 -0.05 0.04 -0.01 -0.00 -0.04 -0.03 0.00 0.01 -0.08 0.17 -0.12 0.23 -0.05 -0.04 0.01 -0.01 -0.02 -0.05 0.06 0.29 -0.01 0.01 0.01 0.14 -0.02 -0.01 -0.01 -0.02 0.02 0.00 -0.01 -0.00 0.02 0.03 -0.05 0.01 0.06 -0.13 0.00 -0.01 -0.00 -0.07 0.12 0.05 -0.03 0.00 0.00 -0.22 -0.29 -0.12 0.05 0.04 -0.10 0.38 -0.10 -0.00 -0.00 -0.01 0.00 -0.02 0.05 0.04 -0.00 0.00 0.00 -0.04 -0.03 0.05 0.02 0.01 -0.00 0.05 -0.10 0.07 -0.14 0.07 0.06 0.00 0.01 -0.00 -0.07 0.00 0.03 0.02 0.04 -0.07 -0.00 0.00 0.01 -0.01 -0.05 0.10 -0.04 -0.07 -0.08 -0.02 0.00 -0.02 0.33 0.02 0.00 -0.01 0.22 0.44 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.10 -0.18 0.21 0.23 0.05 0.04 -0.00 0.00 -0.00 0.04 -0.01 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.07 -0.02 0.08 -0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.07 0.01 -0.08 0.04 -0.07 -0.06 0.01 -0.01 -0.01 -0.10 -0.02 -0.00 -0.00 -0.00 0.08 0.10 -0.05 0.04 0.40 -0.14 0.01 0.01 0.00 0.02 0.03 0.01 -0.00 -0.00 0.00 0.01 0.04 0.06 -0.10 -0.20 -0.11 -0.00 0.05 -0.11 -0.00 -0.02 0.00 0.03 0.16 0.11 -0.00 -0.01 0.00 0.19 -0.18 0.13 -0.01 0.00 -0.00 0.05 0.05 0.01 0.01 -0.03 -0.03 0.01 -0.00 0.01 -0.34 -0.21 -0.13 0.02 0.34 -0.21 0.01 0.00 -0.01 -0.20 0.03 0.10 -0.01 0.03 0.05 0.00 -0.01 0.00 -0.07 0.14 0.07 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 -0.01 0.02 0.03 0.06 -0.01 0.00 -0.01 0.01 0.00 0.06 -0.02 0.01 -0.11 -0.03 0.00 0.01 0.00 -0.04 -0.16 0.14 -0.01 -0.06 -0.20 -0.01 -0.00 0.01 -0.03 0.00 -0.05 0.03 -0.02 -0.01 -0.00 -0.01 -0.00 -0.03 0.03 0.11 -0.00 -0.00 0.01 0.07 0.02 -0.10 0.00 0.00 -0.02 0.00 0.01 0.01 0.03 0.04 -0.11 0.00 0.10 -0.01 0.00 0.00 0.00 -0.03 0.03 0.01 -0.00 -0.00 0.00 0.05 0.09 0.05 -0.04 -0.10 -0.10 -0.07 0.06 -0.09 -0.01 -0.02 0.01 -0.09 0.04 0.05 -0.00 -0.00 -0.00 0.06 -0.05 0.03 0.00 -0.00 -0.00 0.04 0.00 0.02 -0.01 0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.02 -0.00 -0.05 0.00 -0.00 -0.00 -0.14 0.02 0.07 0.00 0.02 0.03 0.00 -0.01 0.00 -0.03 0.10 0.05 0.04 0.07 -0.04 -0.00 -0.00 -0.01 0.00 0.03 -0.01 -0.05 -0.22 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.02 0.03 -0.05 -0.01 -0.01 -0.01 -0.01 0.35 0.35 -0.28 0.03 0.18 0.58 0.01 0.01 0.01 0.01 -0.06 0.01 -0.08 -0.03 -0.07 0.01 0.00 -0.01 -0.00 -0.07 0.11 -0.14 0.07 0.01 -0.03 0.02 -0.04 -0.01 -0.14 -0.15 -0.00 0.00 0.00 -0.04 -0.05 0.02 -0.02 -0.08 0.07 0.01 0.01 0.00 0.06 -0.09 -0.04 -0.01 -0.01 0.01 -0.06 -0.02 0.14 -0.13 -0.24 -0.03 0.16 0.11 -0.33 0.01 0.01 -0.01 -0.01 -0.07 -0.05 -0.01 0.00 -0.00 0.00 0.08 -0.10 0.01 0.00 -0.01 -0.09 -0.10 -0.03 -0.06 0.04 0.03 -0.01 0.00 -0.01 0.21 0.14 0.10 -0.03 -0.19 0.19 0.01 -0.01 -0.02 -0.39 0.06 0.16 0.00 0.06 0.10 -0.01 -0.01 0.00 0.06 0.41 0.19 0.01 0.01 -0.06 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.05 -0.00 0.01 0.01 -0.01 -0.06 0.04 0.08 0.13 -0.14 -0.04 0.00 -0.00 0.00 -0.11 -0.03 0.01 0.01 -0.03 -0.08 0.00 -0.00 -0.00 0.01 -0.04 0.01 -0.05 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.01 0.03 0.09 -0.04 -0.04 -0.00 -0.00 0.02 0.00 0.09 0.09 -0.01 -0.00 0.00 0.08 0.08 -0.11 0.00 0.06 0.00 -0.00 -0.00 0.00 -0.03 0.04 0.02 0.00 0.01 -0.00 -0.14 -0.17 -0.00 0.02 0.02 -0.03 0.15 -0.07 0.08 0.00 -0.02 0.00 -0.11 0.03 0.03 -0.00 -0.00 -0.00 0.03 -0.06 0.06 0.01 0.01 0.01 -0.27 -0.15 -0.12 -0.03 0.02 0.02 0.01 -0.00 -0.01 -0.02 -0.07 -0.09 -0.17 0.34 0.43 -0.00 0.00 0.00 0.05 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 0.02 0.00 -0.03 -0.07 -0.04 -0.06 -0.19 -0.09 -0.01 0.01 -0.00 -0.01 -0.04 0.02 -0.01 -0.12 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.09 0.11 -0.12 0.15 -0.04 0.16 0.00 0.01 0.00 0.00 -0.01 0.00 -0.02 -0.02 -0.03 0.01 0.00 -0.00 -0.00 -0.05 0.08 0.31 -0.13 -0.15 -0.01 0.01 -0.03 0.03 0.31 0.11 0.00 -0.00 0.01 0.05 0.06 0.04 0.01 -0.15 -0.22 -0.01 -0.01 -0.01 0.15 0.18 0.09 -0.00 -0.01 -0.00 0.07 0.13 0.14 0.05 0.14 0.13 -0.09 0.11 -0.20 -0.00 -0.01 -0.01 -0.01 -0.02 -0.02 0.00 0.01 0.01 -0.26 -0.02 0.16 0.02 -0.00 0.01 -0.18 -0.07 -0.09 -0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.02 -0.06 -0.08 -0.13 0.26 0.32 -0.01 -0.01 -0.01 0.05 0.03 -0.12 0.05 0.06 0.06 0.00 -0.02 0.00 -0.02 0.09 0.05 0.09 0.24 0.06 0.00 -0.01 0.00 0.01 0.03 -0.03 0.00 0.10 0.01 -0.00 0.00 0.02 0.05 0.01 -0.06 -0.03 -0.10 -0.03 0.00 0.01 0.00 0.08 -0.04 0.06 -0.13 0.05 -0.09 0.00 -0.01 -0.00 0.01 0.00 0.04 -0.02 0.02 0.03 0.01 0.00 0.00 0.03 -0.07 -0.12 -0.20 0.12 -0.21 -0.11 0.01 0.02 -0.03 -0.25 -0.03 0.00 -0.00 0.01 0.01 0.02 0.04 -0.03 0.07 0.38 0.00 -0.00 0.01 -0.13 0.13 0.06 0.00 0.00 -0.01 0.06 0.06 -0.02 -0.05 -0.18 -0.28 -0.19 -0.06 0.22 -0.00 0.01 -0.01 -0.01 -0.05 -0.05 -0.01 -0.00 -0.02 0.26 -0.11 0.00 0.01 -0.00 0.01 -0.13 -0.08 -0.06 -0.02 0.02 0.03 -0.00 0.00 -0.01 0.18 0.03 -0.05 -0.10 -0.01 0.32 0.01 0.01 0.01 -0.08 -0.03 0.15 -0.05 -0.06 -0.08 0.01 -0.01 -0.00 -0.08 -0.15 -0.07 0.07 0.18 0.03 0.00 -0.00 0.00 0.01 0.02 0.00 0.02 0.07 -0.00 0.00 -0.00 -0.03 -0.07 0.00 0.08 0.04 0.11 0.03 0.00 0.01 0.01 0.09 -0.10 0.11 -0.08 0.01 -0.12 -0.01 -0.00 -0.00 -0.02 0.01 -0.03 0.04 0.01 0.02 -0.00 0.00 -0.00 -0.03 0.06 0.14 -0.14 0.08 -0.11 0.09 -0.02 0.05 -0.00 -0.15 -0.18 0.00 0.01 -0.01 0.03 0.02 -0.04 -0.01 0.12 0.26 -0.02 0.01 -0.01 0.25 -0.27 -0.11 -0.00 -0.01 0.00 0.04 0.05 0.02 -0.11 -0.02 0.35 -0.04 0.02 -0.04 0.00 -0.01 0.00 -0.01 0.05 0.04 0.00 -0.02 -0.00 0.26 0.13 -0.28 0.00 -0.00 -0.00 -0.03 -0.02 -0.02 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.10 -0.02 0.02 -0.06 0.19 0.11 -0.00 0.00 0.00 0.20 -0.04 -0.09 -0.06 -0.03 -0.01 -0.00 -0.00 -0.01 0.13 0.05 0.02 0.01 0.11 0.17 0.00 -0.01 -0.00 0.01 0.04 -0.00 0.01 0.05 -0.00 -0.01 0.00 -0.01 -0.05 -0.03 0.07 0.05 0.07 0.03 0.01 -0.00 -0.00 -0.07 0.10 -0.10 -0.14 0.09 0.00 0.00 -0.00 0.01 -0.02 -0.07 -0.07 -0.04 -0.01 -0.01 -0.01 0.00 0.00 -0.02 0.05 0.09 -0.10 0.04 0.10 0.10 0.04 -0.15 -0.05 -0.13 0.32 0.00 -0.01 -0.01 -0.04 -0.05 -0.05 -0.00 -0.07 -0.06 -0.01 0.01 -0.01 0.32 0.21 0.12 0.01 0.01 -0.01 -0.00 -0.03 -0.07 -0.15 -0.21 0.08 -0.08 -0.09 0.24 0.01 -0.00 0.01 -0.00 0.02 0.02 -0.00 0.01 -0.00 -0.11 -0.13 0.20 -0.00 0.00 0.01 0.02 0.05 0.01 -0.01 -0.05 -0.04 -0.00 0.01 0.01 0.07 -0.03 -0.07 0.06 -0.13 -0.12 0.01 0.01 -0.01 -0.23 -0.01 0.22 -0.04 -0.04 -0.05 0.00 0.01 -0.01 -0.01 -0.16 -0.08 -0.02 -0.03 0.02 0.00 -0.01 -0.00 0.01 0.03 -0.00 0.02 0.08 -0.00 0.01 -0.00 -0.00 0.03 0.02 -0.04 -0.04 0.02 -0.00 0.01 -0.01 -0.00 -0.21 0.15 -0.17 -0.14 0.08 0.00 0.01 -0.00 0.01 -0.01 -0.09 -0.05 -0.07 0.00 0.01 0.00 0.00 0.01 0.02 -0.06 -0.05 0.01 0.03 -0.26 -0.05 0.05 -0.12 -0.05 -0.06 0.38 -0.00 -0.00 0.00 0.01 0.00 0.04 -0.06 -0.47 0.53 -0.00 -0.01 -0.00 0.04 0.15 0.07 -0.01 -0.01 0.01 0.03 0.00 -0.06 0.02 0.02 -0.02 0.06 0.02 -0.09 -0.00 -0.01 -0.00 0.08 0.07 0.05 0.01 0.03 -0.02 -0.04 -0.08 0.13 -0.01 -0.00 0.01 0.06 0.03 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.11 -0.19 -0.21 0.03 0.15 -0.19 -0.00 -0.01 0.00 0.06 0.00 -0.06 -0.02 0.00 0.03 -0.00 -0.00 -0.00 0.05 0.26 0.12 -0.02 -0.09 -0.08 -0.00 0.01 -0.00 -0.00 -0.02 0.02 -0.01 -0.09 -0.00 0.00 0.01 -0.02 -0.07 -0.02 0.10 0.03 0.16 0.04 -0.00 0.00 -0.00 0.04 -0.03 0.03 0.08 -0.04 0.03 -0.00 0.00 0.01 -0.03 -0.04 -0.07 0.01 -0.03 -0.04 -0.01 -0.01 0.01 0.01 0.06 -0.11 0.04 -0.00 -0.11 0.05 0.04 -0.15 0.01 0.03 -0.05 -0.00 -0.01 0.00 -0.05 -0.05 -0.04 0.00 0.31 0.06 -0.02 -0.01 -0.00 0.03 0.26 0.13 -0.00 -0.01 0.00 0.00 0.06 0.16 0.07 0.12 -0.03 0.00 0.10 -0.22 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.23 -0.18 0.09 -0.00 0.00 0.01 -0.02 0.01 -0.01 -0.03 -0.03 -0.03 -0.00 0.01 0.01 0.17 0.05 -0.01 0.09 -0.30 -0.12 -0.01 -0.00 0.01 0.36 -0.01 -0.27 -0.00 0.02 0.04 0.00 -0.01 0.00 -0.06 0.08 0.04 0.08 0.20 0.02 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.05 -0.00 -0.01 0.00 0.00 -0.03 -0.02 0.04 0.05 -0.04 0.00 0.00 0.00 -0.00 -0.18 0.04 -0.06 0.09 -0.05 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 0.11 0.12 -0.02 -0.30 0.03 -0.00 -0.00 -0.00 0.09 0.10 -0.00 -0.02 -0.01 0.00 -0.01 -0.06 -0.00 -0.15 -0.02 0.01 0.00 0.00 -0.15 -0.09 -0.06 -0.01 -0.01 -0.00 0.18 0.20 -0.08 0.02 -0.02 -0.13 -0.19 0.03 0.02 0.01 -0.00 0.01 -0.04 0.02 0.02 0.00 0.01 0.00 -0.12 0.04 0.02 -0.01 -0.00 -0.00 0.02 0.02 0.01 0.06 0.02 0.02 0.00 -0.00 -0.00 -0.06 -0.04 -0.03 -0.02 0.10 -0.00 0.00 0.00 -0.00 -0.11 0.01 0.07 0.01 -0.00 -0.01 0.00 -0.02 -0.01 -0.06 -0.04 -0.02 0.20 0.58 0.21 -0.00 0.01 -0.00 -0.02 -0.05 0.02 -0.03 -0.15 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.01 0.00 0.00 -0.00 -0.30 0.05 -0.08 0.22 -0.12 0.03 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.03 0.00 -0.00 -0.00 0.01 -0.01 -0.04 0.14 -0.11 0.19 -0.02 0.00 0.00 0.01 0.18 0.14 0.01 0.00 -0.01 0.04 0.04 -0.16 -0.01 -0.03 0.09 -0.00 -0.00 -0.00 -0.10 0.03 -0.00 -0.01 -0.01 0.01 0.07 0.03 -0.15 0.04 0.04 -0.10 0.04 0.00 -0.03 0.01 -0.00 0.02 -0.22 -0.11 -0.05 0.00 0.00 -0.01 0.01 -0.08 0.10 -0.01 -0.00 -0.00 0.08 0.03 0.04 0.02 0.02 0.03 0.00 0.01 0.00 -0.05 -0.09 -0.11 -0.00 0.08 -0.04 -0.00 -0.01 0.00 0.04 0.00 -0.05 -0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.16 0.07 -0.01 -0.06 -0.07 0.00 -0.02 0.00 0.01 0.05 -0.04 0.05 0.31 -0.01 0.00 -0.00 -0.00 -0.02 -0.02 0.04 -0.01 0.10 0.03 0.01 -0.01 0.01 -0.14 0.16 -0.16 -0.25 0.13 -0.02 -0.00 -0.01 -0.03 0.07 0.14 0.22 0.00 0.10 0.12 0.01 0.00 -0.03 -0.01 -0.03 0.14 0.01 -0.02 0.13 -0.06 -0.17 0.54 -0.01 0.00 0.13 0.00 -0.00 0.00 0.01 0.01 -0.04 -0.02 -0.20 0.23 0.00 -0.01 0.00 -0.09 -0.02 -0.01 0.01 0.01 -0.02 -0.28 -0.11 0.57 0.05 0.05 -0.05 -0.03 0.06 -0.10 0.00 -0.00 0.01 -0.02 0.02 0.02 0.01 0.00 -0.00 0.01 0.10 -0.12 0.01 0.00 -0.01 -0.02 -0.07 -0.00 -0.10 0.01 -0.01 0.01 -0.00 0.01 -0.17 -0.02 0.05 0.06 0.08 -0.21 0.00 0.01 -0.00 -0.09 0.01 0.06 0.05 0.01 -0.03 0.01 0.00 0.01 -0.12 -0.34 -0.15 0.03 0.08 0.02 0.00 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.10 -0.00 -0.01 0.01 -0.00 -0.00 0.06 -0.03 0.10 -0.27 -0.09 0.00 -0.01 0.00 -0.05 0.07 -0.07 -0.09 0.05 0.01 -0.00 -0.00 -0.01 0.01 0.06 0.06 0.03 0.02 0.02 -0.00 -0.00 -0.01 -0.01 0.04 -0.00 0.03 -0.00 -0.09 0.03 -0.04 0.10 0.00 0.02 0.02 -0.01 -0.00 0.01 0.03 0.06 -0.02 -0.00 0.02 0.06 -0.01 0.00 -0.01 0.28 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.10 -0.05 0.26 -0.05 -0.03 0.08 -0.01 0.01 0.00 -0.09 -0.08 -0.05 0.00 -0.00 -0.00 0.05 0.04 -0.08 -0.00 0.00 0.01 0.00 0.04 -0.01 -0.00 -0.04 -0.04 0.00 0.00 0.00 -0.07 -0.04 -0.02 0.03 0.03 -0.10 0.00 0.00 -0.01 -0.08 -0.01 0.07 -0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.06 -0.02 -0.01 -0.00 0.03 0.08 -0.01 0.02 0.00 -0.03 -0.07 -0.01 -0.06 -0.26 0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.02 -0.01 0.17 -0.19 0.19 0.36 -0.19 0.05 0.02 0.01 -0.02 0.07 -0.04 0.14 -0.16 0.07 0.05 0.00 0.00 -0.02 -0.01 -0.01 0.07 -0.01 0.04 -0.22 -0.05 -0.16 0.50 -0.01 -0.03 0.02 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.04 0.02 0.00 0.02 -0.01 0.07 -0.07 -0.04 0.00 0.00 -0.00 -0.10 -0.05 0.18 -0.12 -0.21 -0.03 0.06 0.05 -0.13 0.00 0.00 -0.00 -0.04 -0.05 -0.03 -0.00 0.01 -0.01 -0.06 -0.25 0.32 0.01 -0.01 -0.02 0.07 -0.10 0.06 -0.08 0.13 0.12 -0.01 0.01 0.00 0.16 -0.08 -0.20 -0.03 -0.06 0.10 -0.00 0.01 0.01 0.21 -0.03 -0.09 -0.05 -0.02 -0.02 0.00 0.01 0.01 -0.02 -0.15 -0.07 -0.04 -0.10 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.06 -0.24 0.02 -0.01 0.01 0.00 -0.00 -0.01 0.00 0.05 -0.11 -0.03 0.00 0.01 -0.00 -0.07 -0.05 0.04 0.09 -0.06 -0.05 0.01 0.01 0.00 -0.01 -0.12 -0.09 -0.07 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.06 0.00 -0.18 0.01 0.49 -0.06 -0.02 0.08 -0.03 -0.14 0.11 -0.02 -0.00 0.00 0.00 0.01 0.07 0.00 -0.04 -0.05 0.01 0.02 -0.01 0.11 -0.18 -0.09 -0.00 -0.00 -0.00 0.02 0.03 0.02 -0.18 -0.28 0.05 -0.01 0.02 -0.04 -0.01 0.00 -0.01 0.06 0.01 0.00 -0.00 0.01 0.00 -0.07 -0.08 0.13 -0.00 -0.00 0.00 -0.06 -0.04 -0.02 -0.01 0.02 0.03 -0.00 0.01 0.01 0.09 -0.08 -0.15 0.03 -0.08 -0.06 -0.00 0.01 0.00 0.17 -0.03 -0.06 -0.07 -0.03 -0.02 -0.00 -0.00 -0.00 0.03 -0.07 -0.03 0.05 0.18 0.14 -0.00 -0.02 -0.01 0.01 0.00 0.04 0.11 0.40 -0.04 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.47 -0.06 0.10 -0.06 0.06 0.13 -0.01 -0.01 -0.00 0.00 0.04 0.03 0.02 0.03 0.06 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.29 -0.14 -0.02 -0.01 0.00 -0.01 0.03 0.29 -0.03 -0.00 -0.00 -0.01 -0.01 -0.01 0.03 -0.00 0.12 0.12 -0.02 -0.01 -0.02 0.06 0.01 0.01 -0.01 0.00 0.01 0.08 0.06 -0.14 0.19 0.45 0.31 0.09 0.05 -0.14 -0.00 0.00 -0.00 0.04 0.01 0.01 -0.00 -0.01 -0.01 0.12 -0.11 0.08 -0.00 -0.01 -0.00 0.04 -0.03 0.03 -0.02 0.06 0.07 -0.01 0.01 0.01 0.20 -0.15 -0.30 -0.01 -0.08 0.06 0.01 -0.01 -0.01 -0.35 0.04 0.18 0.11 0.03 -0.01 0.00 0.00 0.01 -0.05 -0.20 -0.09 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.03 0.12 -0.01 0.01 0.00 -0.00 -0.03 0.02 0.05 0.08 -0.12 -0.04 -0.01 0.00 -0.00 0.07 -0.02 0.02 0.08 -0.03 0.06 -0.01 -0.01 -0.00 0.03 0.14 0.15 0.04 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.04 0.02 0.01 -0.03 0.16 0.05 0.03 -0.12 -0.00 0.03 0.02 0.00 0.00 0.00 -0.01 -0.02 -0.02 0.00 0.02 -0.02 0.00 0.00 -0.01 0.06 -0.03 -0.02 0.02 0.00 -0.02 -0.16 -0.11 0.24 -0.04 -0.03 0.08 -0.17 -0.10 0.29 0.00 -0.00 0.00 0.02 0.03 0.02 -0.00 0.00 -0.00 -0.01 -0.07 0.08 0.01 0.00 -0.01 -0.01 -0.06 0.00 -0.05 0.04 0.03 -0.00 0.00 0.00 0.03 0.00 -0.02 0.00 -0.03 0.01 -0.00 -0.01 -0.00 0.03 0.00 -0.04 -0.01 0.01 0.03 -0.00 -0.01 -0.01 0.12 0.25 0.11 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.02 -0.07 0.04 0.10 0.33 -0.05 -0.00 -0.01 0.00 0.03 0.03 -0.06 -0.07 0.07 0.02 -0.00 0.01 0.01 -0.23 0.07 -0.08 0.38 -0.16 0.15 -0.01 -0.02 -0.01 0.07 0.23 0.26 0.03 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.05 0.00 -0.16 0.06 0.09 0.05 0.04 -0.15 0.00 -0.11 -0.19 -0.00 0.00 -0.01 -0.00 0.00 0.03 0.00 0.08 -0.02 -0.00 -0.00 -0.00 -0.09 -0.07 -0.04 0.02 0.00 -0.02 -0.16 -0.11 0.26 0.13 0.25 0.07 -0.21 -0.12 0.37 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.08 0.09 0.01 0.00 -0.01 -0.08 -0.09 -0.02 -0.05 0.05 0.04 -0.00 0.01 0.01 0.08 -0.06 -0.12 0.03 -0.08 -0.06 -0.00 -0.02 -0.01 -0.11 0.03 0.01 0.05 0.04 0.05 -0.00 -0.01 -0.02 0.09 0.33 0.14 0.04 0.11 0.03 0.01 0.00 0.01 0.01 0.06 -0.05 -0.08 -0.26 0.04 0.00 -0.01 0.00 0.04 0.05 -0.07 -0.08 0.08 0.02 0.00 -0.01 -0.00 0.20 -0.06 0.07 -0.30 0.13 -0.11 0.00 0.01 0.00 -0.02 -0.08 -0.09 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.12 -0.07 0.10 -0.02 -0.02 0.05 -0.00 0.10 0.15 -0.00 -0.01 -0.03 0.01 0.02 0.04 -0.01 -0.01 0.12 -0.01 -0.01 -0.00 0.10 0.35 0.17 0.00 -0.00 -0.00 -0.02 -0.01 0.04 0.05 0.08 -0.03 -0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.03 0.01 0.00 0.00 0.00 -0.03 0.03 -0.14 0.13 -0.01 0.00 -0.01 0.09 0.06 0.03 0.06 -0.02 -0.04 0.01 -0.02 -0.02 -0.19 0.29 0.49 -0.04 0.07 0.11 0.00 -0.00 -0.00 -0.04 0.01 0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.03 0.01 0.01 0.02 -0.03 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.04 0.12 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 0.00 -0.02 0.00 -0.01 0.27 -0.08 0.09 0.08 -0.02 0.08 -0.00 -0.00 -0.00 0.00 0.03 0.03 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.05 -0.08 0.33 0.01 0.00 -0.02 -0.03 0.05 0.33 0.01 0.00 -0.00 -0.01 -0.01 0.04 0.00 -0.03 -0.04 0.00 0.00 -0.00 -0.11 -0.06 -0.04 -0.00 -0.00 0.00 0.02 0.01 -0.03 -0.05 -0.14 -0.16 0.03 0.01 -0.04 -0.00 -0.00 -0.01 0.12 0.10 0.06 -0.00 0.00 0.00 -0.03 0.03 -0.03 0.00 -0.00 0.00 -0.05 -0.01 -0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.04 -0.01 -0.04 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.07 -0.01 -0.03 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.01 -0.03 -0.04 0.00 0.01 0.01 -0.01 0.02 -0.12 -0.11 -0.28 0.05 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.12 -0.06 0.06 -0.09 0.04 -0.04 -0.00 -0.01 -0.02 0.17 0.42 0.59 -0.04 -0.05 -0.08 -0.00 -0.01 0.00 -0.01 0.12 -0.03 -0.02 0.03 -0.10 0.09 0.03 -0.15 -0.04 -0.08 0.33 0.02 0.00 -0.01 0.00 0.01 0.02 0.01 0.00 -0.09 0.00 -0.00 0.02 -0.25 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.10 0.07 -0.26 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.04 0.03 0.01 -0.00 -0.00 0.02 -0.01 0.17 -0.19 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.03 0.02 0.02 -0.01 0.01 0.01 0.09 -0.13 -0.22 0.01 -0.02 -0.02 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.02 0.01 0.01 0.00 -0.00 0.00 -0.05 0.05 0.02 -0.01 -0.06 -0.08 -0.01 -0.00 -0.01 -0.00 -0.05 0.08 0.09 0.25 -0.04 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 0.01 -0.02 0.16 -0.06 0.07 0.28 -0.11 0.14 -0.00 0.00 0.01 -0.07 -0.13 -0.23 0.08 0.02 0.04 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.12 0.08 -0.10 -0.02 -0.02 0.06 -0.07 -0.19 0.54 -0.01 -0.01 -0.01 0.02 0.03 0.01 0.00 -0.01 -0.05 -0.00 -0.01 0.00 0.10 0.25 0.14 0.00 0.01 -0.00 -0.05 -0.03 0.08 -0.04 -0.09 -0.05 -0.05 -0.02 0.08 0.01 0.01 0.01 -0.28 -0.34 -0.21 -0.00 -0.01 0.02 0.01 0.21 -0.25 -0.01 -0.01 -0.01 0.45 0.17 0.23 -0.07 0.03 0.03 -0.01 0.00 -0.01 0.05 -0.13 -0.21 -0.07 0.09 0.13 -0.00 0.00 0.00 0.06 -0.00 -0.04 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 0.05 0.02 0.01 0.03 0.01 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.03 0.01 -0.00 0.00 0.00 0.01 0.01 -0.02 0.04 -0.11 -0.03 -0.00 -0.00 0.00 0.07 -0.04 0.04 -0.04 0.01 -0.04 -0.00 -0.00 0.00 0.02 0.06 0.07 -0.01 -0.02 -0.03 0.01 0.01 0.01 0.00 -0.04 0.07 0.09 -0.05 0.03 0.01 0.08 -0.22 0.01 0.10 -0.03 -0.01 -0.01 -0.02 -0.02 -0.02 -0.01 0.01 0.01 -0.08 -0.00 -0.02 0.00 0.20 0.42 0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.11 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.28 0.34 0.21 -0.00 -0.01 0.02 0.02 0.26 -0.32 0.01 -0.00 -0.00 -0.15 -0.10 -0.07 -0.00 0.05 0.05 -0.01 0.01 0.01 0.11 -0.09 -0.17 0.01 -0.03 -0.01 -0.00 0.00 0.00 0.03 -0.00 -0.01 -0.01 -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 0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.04 0.04 -0.04 -0.06 0.03 0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.03 0.02 0.02 -0.01 -0.01 -0.01 -0.01 0.07 -0.07 0.02 -0.07 0.32 0.02 -0.08 0.19 0.01 0.07 -0.13 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.03 0.00 0.01 -0.00 -0.06 -0.14 -0.07 0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.01 0.02 0.02 -0.05 -0.03 0.10 -0.01 -0.01 -0.02 0.30 0.37 0.23 -0.00 0.00 -0.00 0.00 -0.08 0.09 -0.02 -0.01 -0.00 0.50 0.22 0.24 -0.05 -0.01 -0.01 -0.02 -0.01 -0.02 0.11 0.06 0.02 -0.12 0.05 0.31 -0.00 -0.00 -0.00 0.04 0.00 -0.04 0.01 0.02 0.02 -0.00 -0.00 -0.00 0.02 0.05 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 -0.01 0.01 0.00 0.00 0.02 -0.01 0.10 -0.23 -0.07 0.00 -0.00 0.00 -0.04 0.03 -0.04 -0.02 0.02 0.02 0.00 0.00 -0.00 -0.01 -0.03 -0.03 -0.00 0.02 0.02 -0.01 -0.01 -0.01 -0.01 0.05 -0.07 0.04 0.02 -0.21 0.01 -0.08 0.19 0.01 0.03 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.06 -0.09 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.02 -0.00 -0.09 -0.02 0.31 0.01 0.02 0.02 0.06 0.11 -0.29 -0.00 -0.00 -0.00 0.05 0.06 0.03 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.22 0.08 0.11 -0.05 0.01 0.01 -0.01 -0.00 -0.01 0.05 -0.00 -0.03 -0.04 0.01 0.10 0.01 -0.00 0.00 -0.12 -0.00 0.11 -0.02 -0.04 -0.05 0.00 0.00 0.01 -0.04 -0.12 -0.05 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 -0.01 0.01 -0.04 0.01 -0.31 0.71 0.20 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 -0.05 -0.00 -0.01 0.03 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.03 -0.03 0.00 -0.00 -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.02 -0.02 -0.02 0.03 -0.04 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.05 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.02 0.02 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.05 0.30 -0.44 0.49 0.28 0.36 0.38 -0.01 -0.00 0.01 0.09 -0.03 -0.02 0.03 0.04 -0.09 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.07 -0.10 0.15 -0.21 -0.04 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.12 0.19 -0.45 0.00 -0.03 -0.03 -0.01 0.00 0.00 0.07 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.01 0.01 -0.04 0.02 -0.01 0.01 -0.04 0.01 0.04 0.51 -0.30 -0.16 -0.00 0.00 0.00 0.04 -0.01 0.00 0.00 -0.01 0.00 -0.02 0.11 -0.06 -0.05 0.05 0.06 -0.00 -0.01 0.00 0.06 0.03 0.02 -0.00 0.05 -0.03 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.03 -0.01 -0.00 0.01 0.01 -0.03 -0.01 0.00 0.02 -0.03 -0.01 -0.17 0.18 -0.04 -0.08 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 0.06 0.08 -0.06 0.03 -0.06 -0.11 -0.02 0.02 -0.01 0.06 -0.26 0.18 0.26 -0.04 -0.04 -0.01 0.01 0.01 0.02 -0.13 -0.06 -0.01 0.00 -0.00 0.16 -0.01 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 0.02 0.04 -0.08 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.10 0.03 0.01 -0.01 -0.00 -0.01 0.07 0.11 0.08 -0.02 -0.02 0.07 0.14 -0.07 0.06 -0.01 0.00 0.01 0.09 -0.06 -0.03 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.02 -0.05 0.00 -0.10 0.53 -0.31 -0.25 0.26 0.29 -0.00 -0.01 0.00 0.04 0.04 0.04 0.01 0.06 -0.04 -0.00 0.00 -0.01 0.03 -0.06 0.06 0.03 0.04 0.05 0.00 0.00 -0.00 -0.04 0.01 0.00 -0.02 -0.02 0.04 0.01 -0.00 -0.01 0.03 0.00 0.15 -0.17 0.03 0.07 -0.01 -0.01 0.00 0.04 0.04 -0.09 0.12 0.05 0.05 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.02 -0.02 0.01 -0.06 0.25 -0.17 -0.24 0.04 0.04 0.00 -0.00 0.00 -0.01 0.05 0.01 -0.09 0.04 -0.01 -0.05 0.01 -0.01 0.02 0.11 0.02 -0.00 0.00 -0.00 0.08 0.13 -0.30 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.09 0.03 0.01 0.01 0.00 0.00 -0.04 -0.06 -0.04 -0.01 -0.02 0.06 -0.08 0.04 -0.03 -0.02 0.00 0.02 0.35 -0.21 -0.11 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.03 -0.00 0.05 -0.30 0.18 0.15 -0.15 -0.17 -0.00 0.00 0.00 0.03 -0.00 -0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.02 0.03 -0.04 -0.02 -0.03 -0.03 0.01 -0.00 -0.00 -0.07 0.02 0.01 -0.02 -0.02 0.06 0.01 -0.00 -0.02 0.04 0.00 0.24 -0.26 0.05 0.11 0.01 0.00 -0.00 -0.03 -0.03 0.06 -0.08 -0.03 -0.03 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.01 -0.02 -0.03 0.03 -0.02 0.01 -0.08 0.36 -0.23 -0.34 0.06 0.05 -0.00 -0.00 0.00 -0.00 0.03 -0.01 0.04 -0.01 0.01 -0.02 0.00 -0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 0.01 0.01 -0.03 -0.01 0.03 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.04 0.07 0.03 -0.00 -0.00 -0.01 0.08 -0.02 0.01 -0.00 0.00 0.00 0.03 -0.02 -0.01 0.00 -0.00 -0.00 -0.06 0.02 0.00 -0.01 0.02 -0.00 0.03 -0.18 0.11 0.09 -0.09 -0.10 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.08 -0.13 0.15 0.08 0.10 0.11 -0.00 0.00 0.00 0.03 -0.01 -0.01 0.01 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.01 -0.05 -0.03 0.01 0.23 0.22 -0.44 0.64 0.24 0.23 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.00 0.04 -0.02 0.00 -0.03 0.00 -0.00 -0.01 -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.03 -0.03 0.00 0.02 0.33 -0.13 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.11 0.10 -0.29 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.04 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.02 -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 0.01 -0.02 0.03 -0.03 -0.01 -0.02 -0.03 -0.03 -0.00 0.03 0.44 -0.12 -0.03 0.12 0.15 -0.39 0.02 -0.01 -0.03 0.06 0.01 0.34 -0.38 0.09 0.17 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.05 -0.07 0.05 -0.02 0.05 0.08 -0.00 0.01 -0.01 0.02 -0.07 0.09 0.08 -0.02 -0.02 -0.01 0.00 0.00 0.01 -0.07 -0.02 0.02 -0.01 0.00 0.08 -0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.04 0.03 -0.01 -0.00 0.01 0.18 -0.08 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.08 0.07 -0.18 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.05 0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.03 -0.01 -0.02 -0.02 -0.02 -0.00 0.02 0.33 -0.09 -0.02 0.09 0.11 -0.30 -0.02 0.01 0.03 -0.06 -0.01 -0.36 0.40 -0.09 -0.17 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.00 0.01 0.07 0.09 -0.07 0.03 -0.06 -0.11 0.02 -0.02 0.01 -0.08 0.29 -0.22 -0.28 0.05 0.05 0.01 -0.01 -0.00 -0.03 0.19 0.05 -0.01 0.00 -0.00 -0.22 0.03 -0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.08 0.00 -0.20 -0.16 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.02 0.01 0.01 0.01 0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.09 0.06 0.03 -0.02 0.02 0.01 0.26 -0.08 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.04 -0.01 -0.00 0.01 0.01 -0.04 -0.01 0.00 0.01 -0.02 -0.00 -0.11 0.13 -0.03 -0.05 -0.00 -0.00 0.00 0.02 0.02 -0.04 0.05 0.02 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.05 0.22 -0.13 -0.19 0.03 0.03 -0.04 0.04 0.00 0.09 -0.53 -0.14 -0.01 0.00 -0.00 0.61 -0.07 0.06 0.00 0.01 0.00 0.03 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 0.01 -0.00 -0.01 -0.18 0.08 0.01 0.02 0.01 0.02 -0.14 -0.25 -0.18 -0.07 -0.06 0.17 -0.28 0.14 -0.14 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 -0.01 -0.03 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 -0.02 0.02 -0.03 -0.02 -0.02 -0.02 -0.01 -0.00 0.01 0.14 -0.05 -0.01 0.05 0.05 -0.12 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.03 0.03 -0.06 0.09 0.03 0.03 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.03 0.02 0.01 -0.00 0.00 -0.00 0.01 -0.04 0.02 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.50 0.22 -0.04 0.02 -0.00 0.00 0.09 0.56 0.07 -0.00 0.00 0.00 0.02 0.04 -0.09 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.10 -0.08 -0.04 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 0.05 0.02 0.01 -0.00 0.04 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.01 -0.14 0.16 -0.01 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.05 -0.36 -0.45 0.34 -0.16 0.31 0.57 0.00 -0.00 0.00 -0.01 0.03 -0.03 -0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 0.03 0.00 0.02 -0.01 0.00 -0.03 0.01 -0.01 0.00 -0.03 -0.02 0.01 -0.02 -0.00 0.00 0.01 -0.02 0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.09 0.04 0.01 -0.04 -0.01 -0.03 0.24 0.42 0.30 -0.03 -0.03 0.09 0.47 -0.23 0.22 -0.00 0.00 0.00 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.01 -0.00 0.03 -0.17 0.10 0.08 -0.09 -0.10 0.01 0.01 -0.00 -0.12 -0.06 -0.03 -0.00 -0.11 0.07 0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.01 -0.02 -0.02 -0.01 0.00 0.00 0.10 -0.02 -0.00 0.02 0.00 -0.09 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 -0.03 0.07 -0.10 -0.04 -0.04 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.02 0.02 0.02 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.04 0.01 -0.26 0.12 -0.02 -0.04 0.00 -0.00 0.05 0.29 0.04 0.00 -0.00 -0.00 -0.00 -0.01 0.06 -0.00 -0.05 -0.07 0.01 -0.00 -0.01 -0.10 0.04 0.01 -0.01 -0.00 -0.00 0.04 0.07 0.05 -0.03 -0.03 0.10 0.08 -0.04 0.04 0.01 -0.00 -0.00 -0.09 0.02 0.01 -0.01 0.00 0.00 0.10 -0.04 0.00 -0.00 0.01 -0.00 0.01 -0.09 0.05 0.04 -0.04 -0.04 -0.04 -0.04 0.02 0.63 0.24 0.08 0.01 0.55 -0.34 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.08 -0.02 -0.01 0.02 0.02 -0.08 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.01 -0.02 -0.03 -0.00 0.00 -0.00 0.01 -0.03 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.02 -0.00 0.00 -0.00 -0.04 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.21 -0.17 -0.03 0.00 0.02 0.43 -0.19 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.15 0.14 -0.38 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.01 0.29 -0.08 -0.02 -0.00 0.00 0.00 0.00 -0.05 0.02 0.02 -0.02 -0.02 -0.00 -0.00 0.00 0.06 0.03 0.01 0.00 0.06 -0.03 -0.00 -0.00 -0.00 0.02 -0.04 0.04 0.04 0.04 0.04 0.02 0.00 -0.02 -0.32 0.09 0.02 -0.09 -0.11 0.30 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.01 0.01 0.00 -0.00 0.00 -0.02 0.04 -0.01 -0.03 0.01 0.00 0.01 -0.01 -0.00 -0.02 0.11 0.04 -0.23 0.10 -0.01 -0.12 0.01 -0.01 0.04 0.27 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.42 -0.32 0.01 -0.00 -0.01 -0.21 0.10 0.02 0.00 0.00 0.00 -0.02 -0.04 -0.03 -0.07 -0.05 0.21 -0.04 0.02 -0.02 -0.00 0.00 0.00 0.03 -0.01 -0.00 -0.03 0.03 0.02 0.58 -0.16 -0.05 0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.02 0.02 0.02 0.01 0.01 -0.00 -0.14 -0.04 -0.01 -0.00 -0.11 0.07 0.00 0.00 0.00 -0.03 0.03 -0.03 -0.02 -0.03 -0.03 -0.01 -0.00 0.01 0.13 -0.04 -0.01 0.04 0.05 -0.12 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 -0.05 0.05 0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.07 0.02 0.05 -0.01 -0.01 0.02 -0.01 -0.00 -0.04 0.23 0.07 0.10 -0.05 0.01 -0.24 0.03 -0.02 -0.02 -0.12 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.01 -0.00 0.00 -0.08 0.07 -0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.00 0.00 0.00 -0.01 -0.03 -0.03 0.03 -0.02 -0.05 -0.50 0.32 0.74 0.01 0.04 -0.06 0.00 0.01 -0.00 0.05 -0.15 0.11 -0.09 -0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.02 0.05 -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 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 0.09 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.08 -0.07 0.03 -0.01 0.01 -0.00 0.02 0.11 0.05 -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 -0.08 0.05 0.12 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.05 -0.11 -0.07 -0.00 0.01 -0.01 -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 0.01 0.02 -0.06 -0.05 -0.01 -0.05 -0.17 -0.33 0.88 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.03 0.05 0.20 -0.43 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.10 -0.06 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.17 0.27 0.00 0.00 0.00 -0.01 -0.04 -0.03 -0.00 0.00 0.00 0.03 -0.02 -0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 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 -0.01 -0.01 0.00 -0.00 0.05 -0.00 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.08 0.08 -0.06 -0.10 0.03 -0.03 -0.00 0.01 0.54 0.03 -0.18 -0.01 -0.04 0.03 -0.00 0.01 0.00 0.02 0.01 0.01 0.06 0.10 0.01 -0.02 -0.12 -0.04 -0.49 0.06 -0.05 -0.01 0.00 -0.00 -0.06 0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.09 0.20 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 0.03 -0.05 -0.02 -0.48 0.77 -0.00 -0.00 -0.00 0.01 0.04 0.03 -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 0.04 -0.03 -0.08 -0.01 -0.03 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 0.01 -0.00 0.00 -0.03 0.00 -0.07 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 0.05 0.06 0.03 0.04 -0.02 0.01 -0.00 -0.00 -0.14 -0.01 0.05 0.00 0.01 -0.01 -0.00 0.01 0.00 0.05 0.01 0.01 -0.03 -0.05 -0.01 -0.01 -0.13 -0.04 0.19 -0.02 0.02 -0.04 0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.06 0.13 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.05 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.06 -0.00 -0.01 -0.01 0.07 0.19 0.16 0.00 -0.00 -0.00 -0.02 0.01 0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.08 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.06 -0.00 0.13 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 -0.07 -0.08 0.05 0.08 -0.03 -0.04 -0.00 0.01 0.65 0.04 -0.21 -0.02 -0.04 0.04 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.04 -0.06 -0.01 -0.01 -0.09 -0.03 0.59 -0.08 0.06 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.07 0.01 0.02 -0.01 -0.01 0.02 0.03 0.19 -0.39 -0.00 0.00 -0.00 0.02 -0.02 0.01 0.13 -0.08 0.04 0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.05 0.01 0.03 0.02 -0.17 -0.44 -0.37 -0.00 0.00 0.01 0.07 -0.04 -0.11 -0.00 -0.01 0.01 -0.01 0.02 -0.01 0.10 -0.31 0.23 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.03 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.06 -0.02 0.02 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.03 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.06 -0.06 0.07 0.12 -0.04 0.00 -0.00 -0.00 -0.04 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.03 0.00 -0.00 -0.01 -0.00 0.45 -0.06 0.05 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.11 0.00 -0.01 -0.00 -0.01 0.03 0.04 0.22 -0.46 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.03 0.09 0.07 0.00 -0.00 -0.00 -0.06 0.04 0.09 0.00 0.01 -0.01 0.01 -0.04 0.03 -0.18 0.55 -0.41 0.03 -0.01 0.02 -0.00 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.02 0.01 0.00 0.00 0.01 0.03 -0.00 0.00 -0.10 0.01 -0.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.05 -0.05 0.08 0.14 -0.05 0.01 -0.00 -0.00 -0.17 -0.01 0.06 0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.07 0.15 0.02 0.00 0.00 0.00 0.18 -0.03 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.04 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.06 0.01 0.01 0.01 -0.07 -0.18 -0.15 0.00 -0.00 -0.00 -0.03 0.02 0.04 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.07 0.22 -0.16 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.04 0.10 0.06 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.04 -0.08 0.02 -0.01 0.32 -0.03 0.69 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.00 0.03 0.02 -0.18 -0.31 0.10 0.01 0.00 -0.00 -0.14 -0.01 0.05 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.02 -0.03 -0.01 0.03 0.23 0.07 0.14 -0.02 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.10 0.01 -0.01 -0.01 0.02 -0.02 -0.02 -0.11 0.25 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.22 -0.13 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 0.01 0.01 0.01 -0.08 -0.23 -0.19 0.00 -0.00 -0.00 -0.03 0.02 0.04 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.05 0.15 -0.11 0.02 -0.00 0.01 -0.02 -0.04 -0.02 0.27 0.62 0.36 0.02 -0.08 0.04 0.00 0.00 -0.00 -0.00 -0.03 0.05 -0.03 0.01 -0.01 0.00 -0.00 0.01 0.02 -0.00 0.00 -0.09 0.01 -0.20 0.00 0.00 -0.01 0.01 0.01 0.00 -0.02 -0.04 0.11 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.03 0.05 -0.02 -0.01 -0.00 0.00 0.10 0.01 -0.03 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.04 -0.09 -0.01 -0.01 -0.09 -0.03 -0.12 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.06 -0.01 -0.02 0.00 -0.01 0.02 0.02 0.11 -0.25 -0.01 0.01 -0.00 0.10 -0.09 0.03 -0.05 0.02 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.03 0.04 -0.01 -0.03 -0.02 0.16 0.42 0.35 -0.00 0.00 0.00 0.04 -0.02 -0.06 0.00 -0.00 0.01 -0.00 0.02 -0.01 0.10 -0.29 0.21 -0.05 0.00 -0.02 -0.01 -0.03 -0.02 0.20 0.44 0.25 0.01 -0.05 0.03 -0.00 0.00 -0.00 -0.00 -0.03 0.07 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.06 -0.00 0.12 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.02 0.01 0.01 0.00 -0.00 -0.17 -0.01 0.05 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.04 -0.01 -0.01 0.08 0.17 0.03 0.02 0.12 0.04 0.09 -0.02 0.01 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.03 0.00 0.01 0.00 0.01 -0.01 -0.02 -0.11 0.24 -0.03 0.02 -0.01 0.38 -0.33 0.12 -0.02 0.02 -0.01 0.00 0.06 0.02 -0.00 0.00 -0.00 0.00 -0.02 0.03 0.00 0.01 0.01 -0.04 -0.11 -0.09 0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.04 -0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 0.03 -0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.07 -0.01 0.15 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.03 -0.08 -0.01 -0.01 0.01 0.01 -0.12 -0.12 0.17 0.30 -0.10 -0.00 0.00 0.00 0.05 0.00 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.27 0.57 0.09 0.01 0.06 0.02 -0.10 0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.02 -0.01 0.01 -0.25 0.22 -0.08 0.01 -0.00 0.00 -0.02 -0.12 -0.05 0.00 0.00 -0.00 0.00 -0.04 0.07 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.05 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.00 -0.01 0.11 -0.01 0.24 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 0.06 -0.02 -0.03 0.02 0.01 -0.17 -0.17 0.34 0.59 -0.19 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.11 -0.24 -0.04 0.04 0.31 0.10 -0.19 0.03 -0.02 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.02 -0.03 -0.02 -0.03 -0.02 0.18 -0.18 0.05 0.10 -0.06 0.02 0.16 0.72 0.34 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.01 0.04 0.03 0.00 -0.00 -0.00 -0.03 0.02 0.04 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.09 -0.20 0.13 -0.06 0.03 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.00 -0.00 0.01 0.01 0.00 0.01 0.02 0.04 -0.13 -0.00 -0.01 -0.00 -0.01 0.03 0.04 0.04 0.07 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.13 -0.28 -0.04 0.02 0.20 0.06 -0.05 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.05 0.00 0.01 0.00 0.03 -0.02 0.01 0.08 -0.05 0.01 -0.04 -0.17 -0.08 0.00 0.00 -0.00 0.00 -0.05 0.08 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 0.01 0.02 0.00 0.00 0.00 -0.02 -0.04 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.03 0.01 -0.01 0.01 -0.00 0.02 0.03 -0.01 0.00 -0.13 0.01 -0.27 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.25 0.28 -0.05 -0.08 0.02 -0.01 -0.00 0.00 0.17 0.01 -0.06 -0.01 0.01 -0.01 -0.00 -0.05 -0.01 -0.08 -0.03 -0.02 0.04 0.09 0.01 0.09 0.75 0.24 0.08 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.07 0.04 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 0.05 -0.08 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.03 0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.33 0.04 0.10 -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 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.09 -0.01 0.20 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.05 -0.03 -0.07 0.52 0.58 0.18 0.29 -0.12 0.00 0.00 -0.00 -0.06 -0.00 0.02 0.00 -0.01 0.00 0.00 0.01 0.00 0.02 0.01 0.01 0.00 0.01 0.00 -0.03 -0.23 -0.07 0.07 -0.01 0.01 0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.05 -0.10 -0.03 0.05 -0.00 0.52 -0.43 0.17 -0.08 0.05 -0.02 -0.09 -0.33 -0.17 -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 -0.01 -0.06 0.04 0.10 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.05 -0.01 -0.02 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.06 0.14 -0.03 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.48 -0.08 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.00 -0.01 -0.05 0.03 -0.01 -0.02 -0.00 0.02 -0.00 0.01 0.00 0.05 -0.04 0.02 0.74 -0.45 0.16 -0.04 -0.17 -0.08 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.06 0.16 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 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.07 -0.15 -0.08 0.01 0.01 0.00 0.00 -0.01 0.01 0.00 0.08 -0.17 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.00 0.06 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.02 0.03 -0.01 0.01 -0.00 -0.00 -0.16 -0.01 0.05 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.01 -0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 0.17 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.02 0.01 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.08 0.11 -0.01 -0.00 -0.00 0.01 0.03 0.02 0.00 -0.00 -0.00 -0.04 0.02 0.07 0.00 0.01 -0.01 -0.05 -0.01 -0.02 -0.01 -0.04 0.02 0.86 0.12 0.26 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 0.01 0.03 -0.22 -0.24 -0.04 -0.05 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.03 -0.00 0.00 0.04 0.01 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.96 -0.04 0.08 -0.00 0.00 0.00 0.00 0.01 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.04 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 -0.06 -0.00 -0.01 -0.01 0.04 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.03 0.10 -0.07 -0.15 -0.02 -0.04 -0.00 -0.00 -0.00 0.03 0.08 0.04 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.03 0.08 -0.00 -0.00 -0.00 -0.00 0.03 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.04 0.02 -0.01 0.18 -0.10 0.04 0.06 0.24 0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.05 -0.11 -0.06 0.01 -0.00 0.01 0.02 0.02 -0.05 -0.01 -0.37 0.79 -0.27 0.12 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -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 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.07 0.00 0.00 0.00 0.01 -0.00 0.00 0.05 -0.03 0.01 -0.01 -0.05 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.02 0.00 -0.01 0.01 -0.05 0.03 -0.03 -0.03 -0.12 0.29 0.86 -0.33 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 0.03 0.06 0.01 -0.00 -0.00 0.00 -0.07 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.08 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.03 0.00 -0.00 -0.00 0.01 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 -0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.06 -0.02 -0.01 0.96 0.14 0.17 0.00 0.00 0.00 -0.01 0.09 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.00 -0.52 0.12 0.07 0.00 -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 0.01 0.01 -0.00 -0.01 -0.04 0.03 0.05 -0.01 -0.01 0.07 0.67 -0.50 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.01 -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 -0.00 -0.03 0.08 -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 -0.05 -0.01 -0.04 0.79 0.21 0.56 -0.03 -0.03 0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.78 -0.62 -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 -0.05 0.04 -0.00 -0.02 -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 -0.03 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -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 0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.05 0.01 0.00 0.81 -0.19 -0.10 0.01 0.00 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 -0.02 0.01 -0.00 -0.03 0.02 0.03 -0.01 -0.00 0.04 0.43 -0.32 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 0.03 -0.04 -0.03 0.02 0.72 -0.69 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 -0.01 -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 0.01 -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 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.05 0.03 0.04 0.06 0.06 -0.28 0.80 -0.50 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.08 -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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 252.14791 4556.10762 7262.48663 7644.19870 0.99998 -0.00139 0.00532 0.00185 0.99625 -0.08645 -0.00518 0.08646 0.99624 asymmetric 1 0.01901 0.01193 0.01133 0.39611 0.24850 0.23609 909309.5 46.62 51.65 52.96 69.90 75.96 85.00 87.51 91.16 95.92 103.91 105.30 110.72 121.63 141.63 161.25 189.50 205.30 222.55 241.85 252.47 262.36 266.15 271.24 276.42 283.97 294.03 297.60 301.57 310.39 327.06 333.51 347.75 352.21 358.85 362.79 380.03 392.90 404.03 412.33 431.54 439.51 472.61 568.71 584.84 607.17 624.71 679.39 689.19 696.07 706.75 709.97 727.83 782.92 819.20 828.76 862.01 869.98 878.49 918.86 933.39 943.96 949.48 956.88 976.33 1001.12 1006.64 1041.58 1060.98 1079.63 1097.97 1103.92 1113.89 1131.35 1167.79 1216.95 1227.47 1252.56 1287.38 2302.72 2311.79 2314.95 2317.37 2326.42 2335.25 2339.51 2359.95 2370.32 2375.78 2386.91 2399.60 2403.23 2413.12 4647.04 4698.14 4757.39 4781.38 4800.71 4848.70 4896.84 4931.74 4945.44 4964.55 4999.50 5006.76 5023.38 5032.79 5049.10 5055.49 5073.38 5104.81 5124.51 5156.88 5258.79 5343.38 5507.85 5509.37 5510.23 5510.43 5516.30 5521.99 0.346338 0.381134 0.382078 0.281171 -1070.399178 -1070.364382 -1070.363438 -1070.464345 239.165 119.554 212.378 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 33.891 237.388 113.592 136.012 1 0.594 1.983 5.677 2 0.594 1.982 5.474 3 0.594 1.982 5.424 4 0.595 1.978 4.874 5 0.596 1.976 4.710 6 0.596 1.974 4.488 7 0.597 1.973 4.430 8 0.597 1.972 4.350 9 0.598 1.970 4.249 10 0.598 1.967 4.092 11 0.599 1.967 4.066 12 0.599 1.965 3.967 13 0.601 1.960 3.783 14 0.604 1.950 3.485 15 0.607 1.939 3.233 16 0.612 1.922 2.921 17 0.616 1.911 2.767 18 0.620 1.897 2.614 19 0.625 1.882 2.457 20 0.627 1.873 2.376 21 0.630 1.864 2.304 22 0.631 1.860 2.278 23 0.633 1.856 2.242 24 0.634 1.851 2.207 25 0.637 1.844 2.157 26 0.640 1.834 2.093 27 0.641 1.830 2.071 28 0.642 1.826 2.047 29 0.645 1.817 1.995 30 0.651 1.799 1.900 31 0.653 1.792 1.865 32 0.658 1.776 1.790 33 0.660 1.771 1.768 34 0.662 1.764 1.735 35 0.664 1.759 1.715 36 0.671 1.739 1.634 37 0.676 1.723 1.577 38 0.680 1.709 1.529 39 0.684 1.699 1.494 40 0.692 1.674 1.417 41 0.696 1.663 1.387 42 0.712 1.619 1.268 43 0.762 1.480 0.980 44 0.771 1.456 0.939 45 0.784 1.422 0.885 46 0.795 1.396 0.845 47 0.829 1.312 0.731 48 0.835 1.297 0.713 49 0.840 1.286 0.700 50 0.847 1.270 0.680 51 0.849 1.265 0.675 52 0.861 1.237 0.644 53 0.899 1.152 0.556 54 0.925 1.097 0.505 55 0.932 1.083 0.493 56 0.957 1.034 0.451 57 0.963 1.022 0.442 58 0.970 1.009 0.432 0.943438e+30 29.974713 69.019328 0.105299e+16 15.022425 34.590412 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.569313e+07 6.755351 15.554771 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.2933 -2.4888 7.1798 7.7082 -83.4058 -86.0319 -113.5368 -4.6725 13.7908 -27.9402 10.9190 8.2930 -19.2120 -4.6725 13.7908 -27.9402 -106.2205 -35.3963 37.7196 -8.8884 -10.6029 105.8755 51.6161 2.6368 23.1174 -7.8522 -2881.0525 -1542.0757 -1607.7307 -68.9157 392.9067 -128.4476 -306.7447 80.2701 -152.8521 -689.7981 -882.2459 -459.2092 -134.7603 -13.4194 86.3308 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1070.7455159 9.823E-10 1.363E-5 0.3463377 0.3811341 -1070.3643818 -1070.3634376 -1070.4643452 -17.8836663,16.8235501,1.0601162,15.8118699,12.2721467,-0.2509095 C01 [X(H28O14)] 2.2021149 1.4731547 -1.475612 -1.0820837 -0.1264399 -0.0855124 -0.1240194 -1.0892159 0.0177432 -0.0705104 0.0068655 -1.3501626 0.3800548 0.0193093 0.0560936 -0.0121665 0.3856922 -0.0125528 0.0329061 -0.0625223 0.3172622 0.4059365 0.0677662 0.1168804 0.0382795 0.4335995 0.1066474 0.0445755 0.1419557 0.7896473 -1.2023935 -0.0504389 -0.0636608 -0.0552126 -1.1584995 0.0079733 -0.0296352 0.0297741 -1.1759604 0.7072124 0.2976348 -0.1708078 0.3225701 0.7050839 -0.2094671 -0.1455579 -0.1753491 0.4110444 -1.0970327 -0.0418291 0.1064896 -0.033355 -1.1958306 0.0115307 0.1082779 0.0139678 -0.9573549 0.3806208 0.0861141 0.0418068 0.1317704 0.755036 0.268248 0.0594878 0.2350907 0.5679586 0.4590204 0.100705 0.2003387 0.0840038 0.6117281 0.2855697 0.1541631 0.2262564 0.6250618 0.5901691 -0.2279221 0.0801637 -0.2696292 0.6416186 -0.1371581 0.0586051 -0.1107096 0.4475366 -1.17487 -0.0996509 -0.1152632 -0.0689676 -1.0302008 0.0995884 -0.0887586 0.1210313 -0.8641882 0.6828133 0.3470035 -0.0574724 0.3573847 0.7983782 -0.1471023 -0.0385759 -0.1215237 0.3772579 -1.0858048 -0.0027263 -0.1549906 -0.0181191 -1.1712762 0.0124715 -0.116581 0.0133236 -1.1040124 0.846576 -0.2885584 0.062162 -0.2530561 0.5417723 -0.0639551 0.0910739 -0.0896822 0.3770732 -1.088096 0.0675972 0.0742754 0.1119669 -0.8903867 -0.0624572 0.0700034 -0.0308285 -1.1893798 0.7862996 -0.0807906 -0.4065765 -0.0583808 0.3164532 0.0496494 -0.4000759 0.061547 0.8480913 0.4015324 0.0222875 0.0172927 -0.0225864 0.2822685 0.0034884 0.0173577 -0.0395582 0.4000467 -1.1029297 -0.0723569 0.0921558 -0.0967079 -1.0802834 -0.1228256 0.1142065 -0.1100861 -1.1232133 0.4687821 0.2052528 -0.0241065 0.1831288 0.9629894 -0.0046624 -0.006817 0.0433167 0.3554485 0.529363 -0.0036037 0.2299559 0.0247431 0.3709653 0.0785565 0.197423 0.023995 0.7457036 -0.9463816 0.109952 -0.0232012 0.0629318 -1.0038008 -0.0131259 -0.0084018 -0.0017193 -1.0200988 0.5629559 -0.3096352 0.0832998 -0.3176076 0.6952304 -0.1427903 0.0801627 -0.1424349 0.4636529 0.3239755 -0.085697 -0.028712 -0.0252258 0.3625286 0.0016664 -0.0313955 -0.0179345 0.419405 -1.0830643 0.0372632 -0.0944349 0.0329203 -1.0989511 0.0178249 -0.1089786 0.039354 -0.8086376 0.6939107 0.1644697 -0.0985116 0.1749111 0.5290217 -0.0857701 -0.0556875 -0.0565335 0.3714012 0.4184611 0.0376665 0.0858946 0.0255924 0.5787146 0.2014369 0.0518372 0.1497347 0.5098407 -1.014771 -0.0869323 -0.1848363 -0.0744795 -1.0324711 0.1626641 -0.1563092 0.1832801 -0.8167563 0.3703995 0.0032476 0.0784108 -0.0160275 0.4154797 -0.0292802 0.0257379 -0.0464465 0.3044188 0.8974055 0.1818652 0.1674795 0.1972186 0.4832198 0.0362433 0.1914892 0.0404736 0.3867508 -1.1244497 -0.0203747 0.1245114 -0.0312605 -1.0822782 -0.0062816 0.1421778 0.0116634 -0.899605 0.3842038 -0.015448 -0.0037533 0.0051401 0.4096659 0.0381348 -0.0662292 0.0122364 0.2938037 0.897958 0.2837535 -0.2913562 0.2707238 0.5616453 -0.1195684 -0.2622893 -0.1110559 0.4335935 -0.999679 0.1059314 -0.1191584 0.1025042 -1.10941 -0.022754 -0.1210645 -0.026694 -1.1801203 0.7832346 -0.2108639 -0.0650792 -0.2413363 0.523252 0.0842476 -0.0455741 0.0539573 0.3673875 0.3844942 -0.0363068 0.0854434 -0.0178761 0.7144263 -0.2966269 0.0491403 -0.2725162 0.6362703 -1.1317555 0.1127795 -0.0491895 0.1141527 -0.7984589 0.0256891 -0.0472617 0.0666339 -1.1399619 0.4006775 -0.0359214 -0.0377424 -0.0369995 0.3322828 -0.0751379 -0.0196933 -0.0488852 1.1284203 0.3987824 -0.0285886 -0.002487 -0.0343745 0.3079428 0.0041755 -0.0185258 -0.0551715 0.3888028 -1.080172 -0.0533336 0.0211098 -0.0279877 -1.0754751 0.1538422 0.0121202 0.1376429 -0.8396289 0.429042 0.0291402 0.0461531 0.0004838 0.3676165 -0.0175329 0.0194823 0.0187814 0.5829126 0.5480973 -0.213648 0.1414531 -0.200456 0.6211004 -0.216796 0.1454838 -0.2508434 0.5269162 0.6181687 -0.2817761 0.015712 -0.2682087 0.7026447 -0.060735 0.0349953 -0.1016109 0.3892404 0.4633363 0.0931032 0.1497702 0.063614 0.4061814 0.1791889 0.1372157 0.2412239 1.0041313 156.7437268|1.7921715|158.7531028|2.5592393|0.1548305|157.0171543 0.000000199 -0.000000321 0.000004260 0.000008857 -0.000001716 -0.000004535 0.000013728 -0.000013389 0.000028239 0.000031787 0.000012443 0.000026742 -0.000038887 -0.000014331 -0.000027616 -0.000032064 0.000002483 -0.000011781 -0.000009219 0.000003408 0.000007727 -0.000022783 0.000006117 0.000006589 -0.000001622 -0.000015858 0.000010613 0.000008244 0.000013891 0.000022153 0.000004214 0.000000133 -0.000007417 -0.000022531 0.000005857 -0.000004991 0.000020621 -0.000002936 -0.000001505 0.000012819 0.000017527 0.000024264 -0.000005859 -0.000005914 -0.000014937 -0.000020671 -0.000004208 -0.000011456 -0.000005124 -0.000008361 0.000008404 0.000006380 0.000001582 0.000006855 0.000010549 -0.000010799 -0.000002461 -0.000014134 -0.000019973 0.000016899 -0.000008415 0.000013883 0.000015903 0.000000903 0.000004775 -0.000012401 0.000001708 -0.000014930 -0.000027767 -0.000025555 0.000009251 -0.000010653 -0.000005249 0.000013055 0.000011906 0.000022568 -0.000010950 0.000006344 0.000016592 0.000003578 -0.000021698 -0.000002714 0.000007659 -0.000020821 0.000006463 -0.000012642 -0.000000804 -0.000005584 -0.000000158 0.000006715 -0.000027949 0.000008408 0.000008716 0.000001350 0.000007626 -0.000001621 0.000003209 -0.000000930 -0.000013036 -0.000001847 -0.000001900 -0.000013341 0.000015638 -0.000006143 -0.000001120 0.000006258 0.000001668 0.000014687 0.000015698 0.000005874 0.000001992 0.000019367 0.000001968 -0.000020973 0.000013904 0.000002919 0.000032198 -0.000008202 -0.000008596 -0.000004849 0.000004451 0.000001827 -0.000001237 0.000012900 0.000008123 -0.000024187 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8834,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0287;-2.2141,-.6217,-.0902; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8833,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0288;-2.2141,-.6217,-.0902; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF91/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2O CONF91 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.0778657231 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452833808 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.095348 0.000000 4.494080 5.751835 0.000000 2.753499 5.374586 3.088321 0.000000 1.769489 5.147135 3.414682 0.985214 0.000000 3.786771 7.346658 3.664843 4.433984 3.987316 0.000000 3.284364 6.531421 3.598169 4.298304 3.732804 0.980415 0.000000 3.198958 6.298136 3.059922 0.979116 1.570551 4.141422 4.226233 0.000000 3.305252 7.456017 3.940100 4.011349 3.513828 0.980042 1.542532 3.644750 0.000000 4.220908 0.965202 4.917154 4.441641 4.198021 6.473298 5.692561 5.355027 6.544666 0.000000 4.481365 1.559438 4.487992 4.071424 4.049926 6.572948 5.890279 4.977516 6.630522 0.988033 0.000000 4.269336 4.889593 0.977753 2.765699 3.130513 4.259176 4.012025 3.031034 4.455520 4.069658 3.558773 0.000000 3.560032 4.842522 1.536219 1.783895 2.215787 4.152458 3.925373 2.148534 4.132405 3.944198 3.455377 0.984129 0.000000 2.786290 5.072321 4.054953 4.392960 3.674246 2.771730 1.798031 4.710612 3.079411 4.331043 4.761441 4.060014 3.970751 0.000000 3.158181 4.351431 3.600693 4.282217 3.706119 3.300717 2.376710 4.708370 3.696751 3.634446 4.016893 3.468004 3.534118 0.991798 0.000000 3.391376 5.308866 4.957697 5.291914 4.522327 3.403737 2.446806 5.638539 3.748361 4.690923 5.267718 4.944942 4.896527 0.964879 1.568815 0.000000 4.164614 3.428027 3.203154 4.395690 4.135270 4.501983 3.734593 4.953192 4.938856 2.812925 2.963730 2.769895 3.151415 2.695378 1.709544 3.177846 0.000000 4.034495 3.804777 2.274271 3.699744 3.613758 4.227853 3.616714 4.193384 4.607528 3.066716 2.923735 1.787296 2.256135 2.990289 2.120856 3.688905 0.984534 0.000000 4.040249 2.462592 3.763553 4.341493 4.058427 5.157127 4.353518 5.054125 5.458293 1.851612 2.134819 3.124341 3.319150 3.082630 2.168501 3.496018 0.978174 1.544653 0.000000 4.352147 7.898555 3.439785 2.773943 3.129198 3.778262 4.273593 1.814533 3.261153 6.944315 6.586867 3.887844 3.320627 5.375428 5.527051 6.289149 5.961921 5.171253 6.305349 0.000000 4.557438 7.759687 2.751977 3.058566 3.397213 3.307004 3.838975 2.231193 3.033490 6.818211 6.456490 3.388615 3.047918 5.048951 5.125613 5.969118 5.481743 4.670939 5.950835 0.982458 0.000000 5.250847 8.683394 4.081686 3.471560 3.953807 4.607950 5.177291 2.501155 4.103072 7.740799 7.311134 4.546496 4.026123 6.332804 6.464458 7.246567 6.813351 5.977112 7.154856 0.964643 1.563737 0.000000 2.880678 7.732300 4.762394 3.510696 2.989411 2.838534 3.162448 3.060491 1.867633 6.794195 6.834454 5.076693 4.418794 4.139640 4.756123 4.811747 5.913072 5.505503 6.180149 2.828652 3.193797 3.575311 0.000000 3.247277 7.761777 4.254792 3.034039 2.781448 3.022038 3.452574 2.372899 2.149918 6.802019 6.700961 4.613261 3.941076 4.522985 4.978249 5.310432 5.900949 5.346004 6.191192 1.867515 2.347252 2.604387 0.976302 0.000000 1.931883 6.884432 4.607242 3.004716 2.291486 3.054631 3.075154 2.820165 2.191617 5.960784 6.055257 4.744056 4.017977 3.626074 4.207366 4.298780 5.349464 5.007681 5.496312 3.178967 3.540045 4.011506 0.973608 1.543847 0.000000 4.480236 4.827671 6.784288 4.164640 4.091391 7.958482 7.504289 4.970661 7.469079 4.386329 4.250978 6.048052 5.254111 6.712135 6.544300 7.245148 6.451501 6.213483 5.749159 6.712502 7.188469 7.237963 6.550940 6.471475 5.712116 0.000000 5.288350 4.755491 7.403535 4.972278 4.936531 8.764360 8.259526 5.813943 8.325906 4.497660 4.360366 6.598540 5.883254 7.342640 7.095808 7.825507 6.849115 6.670523 6.063067 7.581818 8.017344 8.095761 7.483459 7.403839 6.628863 0.965054 0.000000 4.419174 4.686650 6.073593 3.534413 3.663660 7.607625 7.204926 4.343729 7.157032 4.162418 3.824161 5.321964 4.539180 6.536756 6.288788 7.167679 6.045893 5.685788 5.402934 6.106780 6.544933 6.591609 6.323167 6.111822 5.541264 0.982775 1.547060 0.000000 4.928848 7.375245 1.868043 3.868215 4.059329 2.719533 3.150993 3.390927 3.024651 6.496220 6.193750 2.810636 2.993596 4.384701 4.302682 5.248489 4.518317 3.766829 5.218073 2.764668 1.811329 3.329240 4.092334 3.548692 4.321442 7.951919 8.695686 7.304364 0.000000 5.846914 8.154789 2.562958 4.807403 5.022621 3.192147 3.727368 4.285975 3.620398 7.307846 6.994149 3.540190 3.862770 5.066802 4.982970 5.863002 5.150383 4.438446 5.927633 3.422149 2.445291 3.807347 4.812915 4.277587 5.149026 8.900651 9.634189 8.233324 0.965090 0.000000 4.423265 7.276034 2.341185 3.951962 3.898188 1.736157 2.231299 3.532304 2.158088 6.387896 6.233904 3.177055 3.258189 3.659705 3.750298 4.476735 4.317178 3.723744 5.040927 2.975629 2.163343 3.691728 3.525310 3.191155 3.764026 7.923867 8.696106 7.377129 0.990737 1.563774 0.000000 2.750790 3.360367 5.878845 3.959242 3.348735 6.290126 5.599871 4.832548 5.975753 2.802590 3.265420 5.220226 4.590136 4.387880 4.287966 4.712569 4.547794 4.657673 3.843956 6.473777 6.699832 7.276326 5.548893 5.774987 4.583038 2.795604 3.237560 3.092148 6.973557 7.912162 6.665724 0.000000 3.094020 2.412714 5.435461 3.949211 3.454281 6.250131 5.507401 4.877952 6.072289 1.824175 2.351395 4.696113 4.202950 4.188739 3.875182 4.535261 3.823971 3.981411 3.023737 6.545309 6.647605 7.359332 5.899611 6.044695 4.964593 3.163305 3.466697 3.244452 6.717474 7.628524 6.471980 0.979690 0.000000 3.203931 3.724054 6.102182 3.837201 3.400186 6.813647 6.212683 4.725136 6.421030 3.198174 3.419779 5.398213 4.682233 5.168470 5.040683 5.585895 5.152243 5.116996 4.433323 6.448752 6.774314 7.166570 5.782615 5.898700 4.841414 1.815695 2.309761 2.200944 7.241209 8.196257 7.035558 0.981078 1.551701 0.000000 4.604536 4.822775 4.806443 2.695106 3.262655 7.018195 6.729903 3.418465 6.668544 4.175862 3.503495 4.060725 3.348876 6.335972 5.958607 7.117013 5.459910 4.860997 4.999510 5.111849 5.428447 5.509807 6.064420 5.618112 5.436833 2.760832 3.207068 1.784813 6.130739 6.995807 6.407039 4.037146 3.879822 3.419056 0.000000 3.862693 4.977914 4.105376 1.719026 2.360909 6.098755 5.867090 2.441081 5.716223 4.191553 3.605385 3.467961 2.627362 5.633408 5.340245 6.462838 5.034375 4.376724 4.703733 4.170572 4.502844 4.632709 5.107816 4.639594 4.519666 3.098763 3.751633 2.228577 5.277253 6.167225 5.512083 3.873111 3.783328 3.398986 0.987504 0.000000 5.372365 5.705975 5.223013 3.188844 3.902158 7.578176 7.387656 3.706962 7.195551 5.093020 4.360361 4.553763 3.873426 7.151196 6.787386 7.968481 6.260914 5.585188 5.860095 5.223946 5.599985 5.456738 6.500063 5.949646 5.970586 3.330215 3.718378 2.372364 6.452163 7.266029 6.832487 4.952472 4.838007 4.275455 0.965427 1.559955 0.000000 5.213087 3.211166 3.939242 3.774271 4.172680 6.837430 6.357007 4.544348 6.878068 2.737344 1.757265 2.970825 2.948319 5.665538 4.913260 6.356624 3.702618 3.208425 3.231294 6.053862 5.903311 6.608338 7.025724 6.649084 6.391769 4.615769 4.763283 3.867323 5.752247 6.487355 6.067567 4.496975 3.755564 4.374741 2.791860 3.006461 3.383181 0.000000 4.971374 3.658027 3.010082 3.417539 3.851995 6.094269 5.670285 4.069526 6.202737 3.044548 2.179528 2.054473 2.215579 5.161787 4.400392 5.914490 3.183206 2.510849 2.957914 5.413251 5.148126 5.983420 6.516112 6.098689 5.968723 5.159998 5.447978 4.386898 4.849647 5.551189 5.206298 4.774649 4.058314 4.766520 3.136459 3.062869 3.687311 0.970504 0.000000 0.980729 4.906200 4.189427 3.196718 2.278939 3.232649 2.550621 3.608760 2.975077 4.048112 4.397338 4.030155 3.513887 1.808123 2.256631 2.434649 3.488718 3.487620 3.498528 4.598098 4.600103 5.547178 3.132167 3.540868 2.320243 5.204681 5.940736 5.101528 4.608263 5.476501 4.002804 3.126713 3.243785 3.767138 5.136751 4.400127 5.941767 5.238689 4.896741 0.000000 4.928235 3.672064 4.105703 3.239156 3.730918 6.859643 6.445597 4.029239 6.762585 3.108705 2.194802 3.178387 2.863435 5.857655 5.229757 6.598930 4.273856 3.709909 3.793489 5.638680 5.639454 6.142850 6.655962 6.240997 6.016488 3.875873 4.091922 3.038612 5.793900 6.587997 6.115467 4.219457 3.646586 3.915655 1.819784 2.148699 2.420619 0.980700 1.540374 5.133439 0.000000 0.986538 4.401203 4.918310 2.999296 2.109193 4.675575 4.078743 3.667229 4.265141 3.588899 3.927347 4.505500 3.795515 3.215026 3.399705 3.707418 4.159820 4.124911 3.806324 5.069993 5.295756 5.935015 3.818451 4.127255 2.852771 3.735913 4.472562 3.788011 5.638499 6.574736 5.210974 1.767970 2.209676 2.280260 4.247284 3.675654 5.092995 4.852491 4.787320 1.563600 4.554299 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1819,-.2176,-2.0724;-3.4342,2.6757,.0525;1.4914,.5755,2.1529;-.0128,-1.4564,.379;.0852,-1.0382,-.5077;3.6125,.7933,-.8278;2.8689,1.3841,-1.0713;.8216,-1.9408,.5457;3.3786,-.0612,-1.2468;-2.6748,2.0809,.0185;-2.6909,1.5715,.865;.5179,.6466,2.095;.277,-.0862,1.4839;1.3632,2.2488,-1.5385;.8387,2.5813,-.7653;1.368,2.9573,-2.1934;-.0669,2.9311,.6419;.1563,2.1482,1.1955;-.9949,2.7726,.3765;2.5455,-2.4243,.8405;2.8975,-1.6323,1.3032;2.8327,-3.1941,1.3459;2.6648,-1.6659,-1.8819;2.6274,-2.0591,-.9891;1.7681,-1.32,-2.0373;-3.8408,-1.975,-1.1772;-4.7701,-1.7567,-1.0357;-3.4428,-1.9992,-.279;3.252,.081,1.7719;4.0345,.2913,2.2962;3.4348,.4152,.8573;-2.52,.2948,-2.1356;-2.6102,.9309,-1.396;-3.0001,-.5058,-1.8339;-2.5238,-1.9069,1.2483;-1.5853,-1.8592,.9445;-2.5789,-2.6809,1.8227;-2.4422,.6588,2.3459;-1.4916,.7764,2.502;.5778,.6691,-1.9347;-2.5247,-.2711,2.0457;-.7878,-.0587,-2.1591; 0.3961147 0.2485018 0.2360929 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.70D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74551591169 -1070.74551591 1 1.067086000674e+03 -5.117077215252e+03 1.686199338753e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT183S Tue Nov 5 07:46:44 2024 -19.13172 -19.13080 -19.12861 -19.12816 -19.12684 -19.12266 -19.12153 -19.12019 -19.11698 -19.11544 -19.11428 -19.11352 -19.11290 -19.11058 -1.03073 -1.02555 -1.02229 -1.01855 -1.01487 -1.01312 -1.01003 -1.00850 -1.00390 -1.00276 -0.99714 -0.99268 -0.99022 -0.98723 -0.55086 -0.54491 -0.53998 -0.53729 -0.53589 -0.53390 -0.53318 -0.53055 -0.52832 -0.52258 -0.52190 -0.52042 -0.51678 -0.51652 -0.44834 -0.43415 -0.42969 -0.42566 -0.42125 -0.40491 -0.40224 -0.40074 -0.39647 -0.38804 -0.38267 -0.38121 -0.37752 -0.36516 -0.33302 -0.33100 -0.32791 -0.32716 -0.32489 -0.32345 -0.32235 -0.32020 -0.31962 -0.31842 -0.31779 -0.31476 -0.31302 -0.31169 -0.00039 0.02522 0.03625 0.04599 0.05893 0.06076 0.07667 0.07740 0.08641 0.09380 0.10881 0.11053 0.11185 0.11562 0.11902 0.12228 0.13459 0.13571 0.13855 0.14153 0.14736 0.15352 0.16104 0.16300 0.16490 0.17625 0.17713 0.18135 0.18813 0.19087 0.19335 0.19522 0.20071 0.20816 0.21208 0.21535 0.21750 0.22341 0.22728 0.23092 0.23482 0.23766 0.24506 0.24848 0.24876 0.25593 0.25932 0.26128 0.26416 0.26794 0.27041 0.27401 0.27531 0.28294 0.28351 0.28554 0.28854 0.28973 0.29272 0.29871 0.30020 0.30340 0.30406 0.31476 0.31934 0.32067 0.33021 0.34635 0.35335 0.36335 0.38144 0.40053 0.42626 0.43229 0.44724 0.45532 0.46558 0.46640 0.47599 0.48075 0.48892 0.50612 0.51206 0.52025 0.52700 0.52978 0.53514 0.54529 0.55305 0.55984 0.56629 0.57584 0.58306 0.58971 0.59385 0.61078 0.61942 0.61979 0.62686 0.63394 0.63472 0.64185 0.65428 0.65600 0.66427 0.66915 0.67409 0.68651 0.69099 0.69900 0.71029 0.73595 0.94078 0.94680 0.96130 0.96589 0.97211 0.97861 0.98578 0.99456 0.99974 1.00326 1.01323 1.02405 1.03014 1.03540 1.03894 1.04657 1.05012 1.05673 1.06462 1.06549 1.06899 1.07303 1.07631 1.08047 1.08404 1.09013 1.09137 1.10149 1.10186 1.11461 1.11659 1.11754 1.12307 1.13238 1.13862 1.14261 1.14815 1.15128 1.16043 1.17817 1.18625 1.20565 1.22934 1.25339 1.26544 1.27370 1.27906 1.28666 1.29340 1.30128 1.31058 1.31613 1.32338 1.32787 1.33250 1.34291 1.34976 1.35631 1.36699 1.37107 1.38214 1.39401 1.39786 1.40265 1.41088 1.41471 1.42320 1.43039 1.44514 1.45329 1.46415 1.46903 1.48064 1.48925 1.49643 1.49954 1.50993 1.52126 1.53647 1.54344 1.55070 1.56583 1.56852 1.58210 1.59606 1.60638 1.61798 1.62635 1.63729 1.64043 1.66076 1.66524 1.68434 1.69097 1.69643 1.70544 1.71171 1.73104 1.73748 1.74849 1.75800 1.76555 1.77514 1.78090 1.79170 1.79541 1.80296 1.81350 1.83135 1.84231 1.86967 1.87947 2.02012 2.03682 2.04445 2.05011 2.05410 2.06103 2.15933 2.17677 2.23634 2.25829 2.26701 2.27246 2.28025 2.30718 2.32435 2.33042 2.35368 2.36477 2.37617 2.38190 2.39589 2.40950 2.41476 2.42984 2.44233 2.45583 2.47753 2.49192 2.52907 2.56281 2.57611 2.58433 2.58928 2.61327 2.67124 2.67815 2.69060 2.69647 2.70432 2.71766 2.73230 2.74381 2.75315 2.76140 2.76823 2.77441 2.78665 2.79629 2.80594 2.83711 2.83741 2.85051 2.87198 2.88493 2.90500 2.93110 3.06987 3.07033 3.07684 3.08493 3.08974 3.09233 3.09864 3.10130 3.10394 3.10493 3.11554 3.12455 3.12860 3.13109 3.13237 3.13523 3.14426 3.14833 3.16127 3.16184 3.16677 3.17131 3.17688 3.18217 3.18879 3.19879 3.20391 3.21844 3.29837 3.30529 3.30704 3.31220 3.31869 3.32982 3.33274 3.34147 3.34642 3.35374 3.35759 3.36538 3.38787 3.41135 3.68568 3.69456 3.69985 3.70488 3.71255 3.72711 3.73052 3.74831 3.75070 3.75152 3.76299 3.77848 3.78799 3.81951 3.90315 3.91191 3.91590 3.92096 3.92488 3.92947 3.93830 3.94683 3.94859 3.95584 3.95899 3.98606 4.00191 4.03951 5.00894 5.01552 5.02408 5.03102 5.03535 5.03957 5.04382 5.04938 5.05584 5.07058 5.07599 5.07943 5.08731 5.13108 5.36291 5.38065 5.39139 5.43448 5.43931 5.44443 5.46118 5.46342 5.47240 5.48513 5.48747 5.51402 5.52944 5.59534 5.65339 5.65958 5.66907 5.67404 5.67607 5.68008 5.68290 5.71510 5.72938 5.74844 5.75593 5.76421 5.78447 5.81313 49.87891 49.89827 49.90709 49.91559 49.92011 49.92355 49.93018 49.93564 49.93740 49.95511 49.95814 49.96587 49.96892 49.99082 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.851697 0.338990 0.439987 -0.796659 0.398318 -0.765028 0.393406 0.413070 0.368582 -0.746516 0.412761 -0.836368 0.375355 -0.787217 0.421091 0.350708 -0.751407 0.392824 0.360965 -0.763411 0.392627 0.369769 -0.729469 0.376836 0.364891 -0.743322 0.317298 0.413952 -0.768126 0.352513 0.415988 -0.791118 0.386603 0.403808 -0.738518 0.413320 0.336106 -0.734550 0.358512 0.396361 0.387841 0.450925 -0.00000 -1.2933 -2.4888 7.1798 7.7082 -83.4058 -86.0319 -113.5368 -4.6725 13.7908 -27.9402 10.9190 8.2930 -19.2120 -4.6725 13.7908 -27.9402 -106.2205 -35.3963 37.7196 -8.8884 -10.6029 105.8755 51.6162 2.6368 23.1174 -7.8522 -2881.0526 -1542.0758 -1607.7306 -68.9158 392.9068 -128.4476 -306.7447 80.2701 -152.8521 -689.7981 -882.2459 -459.2092 -134.7603 -13.4194 86.3308 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF91 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7455159 RMSD=1.277e-09 Dipole=2.2021146,1.4731548,-1.4756121 Quadrupole=-17.8836663,16.8235509,1.0601154,15.8118721,12.2721483,-0.2509102 PG=C01 [X(H28O14)] 0 -1.9345649625 -0.237029894 0.7741140623 0 -0.0559617353 -3.2803039271 -2.8551981262 0 2.5285207295 0.285063899 0.8450998514 0 -0.0725032605 1.4643027889 -0.3303987918 0 -0.7476144209 0.8833503484 0.0907485459 0 0.3716515751 -0.147568661 3.7762799729 0 0.1277928568 -0.9278724189 3.2351023812 0 0.1537764902 2.1460894804 0.3349078695 0 -0.3192042369 0.5125953432 3.5585998815 0 -0.0657124895 -2.5572936981 -2.2158416003 0 0.5668037455 -1.8812315561 -2.5609099192 0 2.2495062618 -0.0106245208 -0.0441246006 0 1.4141112126 0.4879425167 -0.1926378175 0 -0.4368632764 -2.1879246726 2.0834315645 0 0.2405302804 -2.4385409114 1.4037314575 0 -0.8382113754 -3.0105249601 2.3887852923 0 1.4125127313 -2.6418533929 0.1758626601 0 1.7565209935 -1.7220956107 0.1050750822 0 0.8874354876 -2.758314345 -0.6411775985 0 0.723312983 3.0531321666 1.7996376794 0 1.4665094458 2.4884583176 2.106273894 0 1.0426965743 3.9633482418 1.8056790431 0 -1.5458387848 1.7269567635 2.8453345226 0 -0.8425486368 2.2990679299 2.4830665078 0 -1.816921102 1.1652303015 2.0977449564 0 -2.6261799698 0.7482895032 -3.5413619103 0 -2.6676439474 0.3693875331 -4.4279531546 0 -1.7023483907 1.0683014985 -3.4414861551 0 2.4796205582 1.0531593676 2.5472232809 0 3.2220881476 1.1487596944 3.1563221313 0 1.7761235966 0.5638933406 3.0444862521 0 -2.5288166536 -1.3333098873 -1.6777993221 0 -1.6859707406 -1.7833877001 -1.894207562 0 -2.6003310665 -0.6107020234 -2.3375251631 0 -0.0321961672 1.5394521833 -3.0241555107 0 -0.0622536024 1.6306233137 -2.0413287138 0 0.2633543094 2.394131516 -3.3621222111 0 1.7371891177 -0.616937728 -2.9069413144 0 2.1552528927 -0.4821547303 -2.041531791 0 -1.4534901443 -0.957367237 1.2340166462 0 1.1727411528 0.1757373299 -3.0287497228 0 -2.2141174776 -0.6217432439 -0.0902370595 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8833,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0288;-2.2141,-.6217,-.0902; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF91/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2O CONF91 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.0778657231 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452833808 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.095348 0.000000 4.494080 5.751835 0.000000 2.753499 5.374586 3.088321 0.000000 1.769489 5.147135 3.414682 0.985214 0.000000 3.786771 7.346658 3.664843 4.433984 3.987316 0.000000 3.284364 6.531421 3.598169 4.298304 3.732804 0.980415 0.000000 3.198958 6.298136 3.059922 0.979116 1.570551 4.141422 4.226233 0.000000 3.305252 7.456017 3.940100 4.011349 3.513828 0.980042 1.542532 3.644750 0.000000 4.220908 0.965202 4.917154 4.441641 4.198021 6.473298 5.692561 5.355027 6.544666 0.000000 4.481365 1.559438 4.487992 4.071424 4.049926 6.572948 5.890279 4.977516 6.630522 0.988033 0.000000 4.269336 4.889593 0.977753 2.765699 3.130513 4.259176 4.012025 3.031034 4.455520 4.069658 3.558773 0.000000 3.560032 4.842522 1.536219 1.783895 2.215787 4.152458 3.925373 2.148534 4.132405 3.944198 3.455377 0.984129 0.000000 2.786290 5.072321 4.054953 4.392960 3.674246 2.771730 1.798031 4.710612 3.079411 4.331043 4.761441 4.060014 3.970751 0.000000 3.158181 4.351431 3.600693 4.282217 3.706119 3.300717 2.376710 4.708370 3.696751 3.634446 4.016893 3.468004 3.534118 0.991798 0.000000 3.391376 5.308866 4.957697 5.291914 4.522327 3.403737 2.446806 5.638539 3.748361 4.690923 5.267718 4.944942 4.896527 0.964879 1.568815 0.000000 4.164614 3.428027 3.203154 4.395690 4.135270 4.501983 3.734593 4.953192 4.938856 2.812925 2.963730 2.769895 3.151415 2.695378 1.709544 3.177846 0.000000 4.034495 3.804777 2.274271 3.699744 3.613758 4.227853 3.616714 4.193384 4.607528 3.066716 2.923735 1.787296 2.256135 2.990289 2.120856 3.688905 0.984534 0.000000 4.040249 2.462592 3.763553 4.341493 4.058427 5.157127 4.353518 5.054125 5.458293 1.851612 2.134819 3.124341 3.319150 3.082630 2.168501 3.496018 0.978174 1.544653 0.000000 4.352147 7.898555 3.439785 2.773943 3.129198 3.778262 4.273593 1.814533 3.261153 6.944315 6.586867 3.887844 3.320627 5.375428 5.527051 6.289149 5.961921 5.171253 6.305349 0.000000 4.557438 7.759687 2.751977 3.058566 3.397213 3.307004 3.838975 2.231193 3.033490 6.818211 6.456490 3.388615 3.047918 5.048951 5.125613 5.969118 5.481743 4.670939 5.950835 0.982458 0.000000 5.250847 8.683394 4.081686 3.471560 3.953807 4.607950 5.177291 2.501155 4.103072 7.740799 7.311134 4.546496 4.026123 6.332804 6.464458 7.246567 6.813351 5.977112 7.154856 0.964643 1.563737 0.000000 2.880678 7.732300 4.762394 3.510696 2.989411 2.838534 3.162448 3.060491 1.867633 6.794195 6.834454 5.076693 4.418794 4.139640 4.756123 4.811747 5.913072 5.505503 6.180149 2.828652 3.193797 3.575311 0.000000 3.247277 7.761777 4.254792 3.034039 2.781448 3.022038 3.452574 2.372899 2.149918 6.802019 6.700961 4.613261 3.941076 4.522985 4.978249 5.310432 5.900949 5.346004 6.191192 1.867515 2.347252 2.604387 0.976302 0.000000 1.931883 6.884432 4.607242 3.004716 2.291486 3.054631 3.075154 2.820165 2.191617 5.960784 6.055257 4.744056 4.017977 3.626074 4.207366 4.298780 5.349464 5.007681 5.496312 3.178967 3.540045 4.011506 0.973608 1.543847 0.000000 4.480236 4.827671 6.784288 4.164640 4.091391 7.958482 7.504289 4.970661 7.469079 4.386329 4.250978 6.048052 5.254111 6.712135 6.544300 7.245148 6.451501 6.213483 5.749159 6.712502 7.188469 7.237963 6.550940 6.471475 5.712116 0.000000 5.288350 4.755491 7.403535 4.972278 4.936531 8.764360 8.259526 5.813943 8.325906 4.497660 4.360366 6.598540 5.883254 7.342640 7.095808 7.825507 6.849115 6.670523 6.063067 7.581818 8.017344 8.095761 7.483459 7.403839 6.628863 0.965054 0.000000 4.419174 4.686650 6.073593 3.534413 3.663660 7.607625 7.204926 4.343729 7.157032 4.162418 3.824161 5.321964 4.539180 6.536756 6.288788 7.167679 6.045893 5.685788 5.402934 6.106780 6.544933 6.591609 6.323167 6.111822 5.541264 0.982775 1.547060 0.000000 4.928848 7.375245 1.868043 3.868215 4.059329 2.719533 3.150993 3.390927 3.024651 6.496220 6.193750 2.810636 2.993596 4.384701 4.302682 5.248489 4.518317 3.766829 5.218073 2.764668 1.811329 3.329240 4.092334 3.548692 4.321442 7.951919 8.695686 7.304364 0.000000 5.846914 8.154789 2.562958 4.807403 5.022621 3.192147 3.727368 4.285975 3.620398 7.307846 6.994149 3.540190 3.862770 5.066802 4.982970 5.863002 5.150383 4.438446 5.927633 3.422149 2.445291 3.807347 4.812915 4.277587 5.149026 8.900651 9.634189 8.233324 0.965090 0.000000 4.423265 7.276034 2.341185 3.951962 3.898188 1.736157 2.231299 3.532304 2.158088 6.387896 6.233904 3.177055 3.258189 3.659705 3.750298 4.476735 4.317178 3.723744 5.040927 2.975629 2.163343 3.691728 3.525310 3.191155 3.764026 7.923867 8.696106 7.377129 0.990737 1.563774 0.000000 2.750790 3.360367 5.878845 3.959242 3.348735 6.290126 5.599871 4.832548 5.975753 2.802590 3.265420 5.220226 4.590136 4.387880 4.287966 4.712569 4.547794 4.657673 3.843956 6.473777 6.699832 7.276326 5.548893 5.774987 4.583038 2.795604 3.237560 3.092148 6.973557 7.912162 6.665724 0.000000 3.094020 2.412714 5.435461 3.949211 3.454281 6.250131 5.507401 4.877952 6.072289 1.824175 2.351395 4.696113 4.202950 4.188739 3.875182 4.535261 3.823971 3.981411 3.023737 6.545309 6.647605 7.359332 5.899611 6.044695 4.964593 3.163305 3.466697 3.244452 6.717474 7.628524 6.471980 0.979690 0.000000 3.203931 3.724054 6.102182 3.837201 3.400186 6.813647 6.212683 4.725136 6.421030 3.198174 3.419779 5.398213 4.682233 5.168470 5.040683 5.585895 5.152243 5.116996 4.433323 6.448752 6.774314 7.166570 5.782615 5.898700 4.841414 1.815695 2.309761 2.200944 7.241209 8.196257 7.035558 0.981078 1.551701 0.000000 4.604536 4.822775 4.806443 2.695106 3.262655 7.018195 6.729903 3.418465 6.668544 4.175862 3.503495 4.060725 3.348876 6.335972 5.958607 7.117013 5.459910 4.860997 4.999510 5.111849 5.428447 5.509807 6.064420 5.618112 5.436833 2.760832 3.207068 1.784813 6.130739 6.995807 6.407039 4.037146 3.879822 3.419056 0.000000 3.862693 4.977914 4.105376 1.719026 2.360909 6.098755 5.867090 2.441081 5.716223 4.191553 3.605385 3.467961 2.627362 5.633408 5.340245 6.462838 5.034375 4.376724 4.703733 4.170572 4.502844 4.632709 5.107816 4.639594 4.519666 3.098763 3.751633 2.228577 5.277253 6.167225 5.512083 3.873111 3.783328 3.398986 0.987504 0.000000 5.372365 5.705975 5.223013 3.188844 3.902158 7.578176 7.387656 3.706962 7.195551 5.093020 4.360361 4.553763 3.873426 7.151196 6.787386 7.968481 6.260914 5.585188 5.860095 5.223946 5.599985 5.456738 6.500063 5.949646 5.970586 3.330215 3.718378 2.372364 6.452163 7.266029 6.832487 4.952472 4.838007 4.275455 0.965427 1.559955 0.000000 5.213087 3.211166 3.939242 3.774271 4.172680 6.837430 6.357007 4.544348 6.878068 2.737344 1.757265 2.970825 2.948319 5.665538 4.913260 6.356624 3.702618 3.208425 3.231294 6.053862 5.903311 6.608338 7.025724 6.649084 6.391769 4.615769 4.763283 3.867323 5.752247 6.487355 6.067567 4.496975 3.755564 4.374741 2.791860 3.006461 3.383181 0.000000 4.971374 3.658027 3.010082 3.417539 3.851995 6.094269 5.670285 4.069526 6.202737 3.044548 2.179528 2.054473 2.215579 5.161787 4.400392 5.914490 3.183206 2.510849 2.957914 5.413251 5.148126 5.983420 6.516112 6.098689 5.968723 5.159998 5.447978 4.386898 4.849647 5.551189 5.206298 4.774649 4.058314 4.766520 3.136459 3.062869 3.687311 0.970504 0.000000 0.980729 4.906200 4.189427 3.196718 2.278939 3.232649 2.550621 3.608760 2.975077 4.048112 4.397338 4.030155 3.513887 1.808123 2.256631 2.434649 3.488718 3.487620 3.498528 4.598098 4.600103 5.547178 3.132167 3.540868 2.320243 5.204681 5.940736 5.101528 4.608263 5.476501 4.002804 3.126713 3.243785 3.767138 5.136751 4.400127 5.941767 5.238689 4.896741 0.000000 4.928235 3.672064 4.105703 3.239156 3.730918 6.859643 6.445597 4.029239 6.762585 3.108705 2.194802 3.178387 2.863435 5.857655 5.229757 6.598930 4.273856 3.709909 3.793489 5.638680 5.639454 6.142850 6.655962 6.240997 6.016488 3.875873 4.091922 3.038612 5.793900 6.587997 6.115467 4.219457 3.646586 3.915655 1.819784 2.148699 2.420619 0.980700 1.540374 5.133439 0.000000 0.986538 4.401203 4.918310 2.999296 2.109193 4.675575 4.078743 3.667229 4.265141 3.588899 3.927347 4.505500 3.795515 3.215026 3.399705 3.707418 4.159820 4.124911 3.806324 5.069993 5.295756 5.935015 3.818451 4.127255 2.852771 3.735913 4.472562 3.788011 5.638499 6.574736 5.210974 1.767970 2.209676 2.280260 4.247284 3.675654 5.092995 4.852491 4.787320 1.563600 4.554299 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1819,-.2176,-2.0724;-3.4342,2.6757,.0525;1.4914,.5755,2.1529;-.0128,-1.4564,.379;.0852,-1.0382,-.5077;3.6125,.7933,-.8278;2.8689,1.3841,-1.0713;.8216,-1.9408,.5457;3.3786,-.0612,-1.2468;-2.6748,2.0809,.0185;-2.6909,1.5715,.865;.5179,.6466,2.095;.277,-.0862,1.4839;1.3632,2.2488,-1.5385;.8387,2.5813,-.7653;1.368,2.9573,-2.1934;-.0669,2.9311,.6419;.1563,2.1482,1.1955;-.9949,2.7726,.3765;2.5455,-2.4243,.8405;2.8975,-1.6323,1.3032;2.8327,-3.1941,1.3459;2.6648,-1.6659,-1.8819;2.6274,-2.0591,-.9891;1.7681,-1.32,-2.0373;-3.8408,-1.975,-1.1772;-4.7701,-1.7567,-1.0357;-3.4428,-1.9992,-.279;3.252,.081,1.7719;4.0345,.2913,2.2962;3.4348,.4152,.8573;-2.52,.2948,-2.1356;-2.6102,.9309,-1.396;-3.0001,-.5058,-1.8339;-2.5238,-1.9069,1.2483;-1.5853,-1.8592,.9445;-2.5789,-2.6809,1.8227;-2.4422,.6588,2.3459;-1.4916,.7764,2.502;.5778,.6691,-1.9347;-2.5247,-.2711,2.0457;-.7878,-.0587,-2.1591; 0.3961147 0.2485018 0.2360929 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.70D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 490 490 490 490 490 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74551591169 -1070.74551591 1 1.067086000674e+03 -5.117077215252e+03 1.686199338753e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 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. PT8023.900S Tue Nov 5 08:05:51 2024 -19.13172 -19.13080 -19.12861 -19.12816 -19.12684 -19.12266 -19.12153 -19.12019 -19.11698 -19.11544 -19.11428 -19.11352 -19.11290 -19.11058 -1.03073 -1.02555 -1.02229 -1.01855 -1.01487 -1.01312 -1.01003 -1.00850 -1.00390 -1.00276 -0.99714 -0.99268 -0.99022 -0.98723 -0.55086 -0.54491 -0.53998 -0.53729 -0.53589 -0.53390 -0.53318 -0.53055 -0.52832 -0.52258 -0.52190 -0.52042 -0.51678 -0.51652 -0.44834 -0.43415 -0.42969 -0.42566 -0.42125 -0.40491 -0.40224 -0.40074 -0.39647 -0.38804 -0.38267 -0.38121 -0.37752 -0.36516 -0.33302 -0.33100 -0.32791 -0.32716 -0.32489 -0.32345 -0.32235 -0.32020 -0.31962 -0.31842 -0.31779 -0.31476 -0.31302 -0.31169 -0.00039 0.02522 0.03625 0.04599 0.05893 0.06076 0.07667 0.07740 0.08641 0.09380 0.10881 0.11053 0.11185 0.11562 0.11902 0.12228 0.13459 0.13571 0.13855 0.14153 0.14736 0.15352 0.16104 0.16300 0.16490 0.17625 0.17713 0.18135 0.18813 0.19087 0.19335 0.19522 0.20071 0.20816 0.21208 0.21535 0.21750 0.22341 0.22728 0.23092 0.23482 0.23766 0.24506 0.24848 0.24876 0.25593 0.25932 0.26128 0.26416 0.26794 0.27041 0.27401 0.27531 0.28294 0.28351 0.28554 0.28854 0.28973 0.29272 0.29871 0.30020 0.30340 0.30406 0.31476 0.31934 0.32067 0.33021 0.34635 0.35335 0.36335 0.38144 0.40053 0.42626 0.43229 0.44724 0.45532 0.46558 0.46640 0.47599 0.48075 0.48892 0.50612 0.51206 0.52025 0.52700 0.52978 0.53514 0.54529 0.55305 0.55984 0.56629 0.57584 0.58306 0.58971 0.59385 0.61078 0.61942 0.61979 0.62686 0.63394 0.63472 0.64185 0.65428 0.65600 0.66427 0.66915 0.67409 0.68651 0.69099 0.69900 0.71029 0.73595 0.94078 0.94680 0.96130 0.96589 0.97211 0.97861 0.98578 0.99456 0.99974 1.00326 1.01323 1.02405 1.03014 1.03540 1.03894 1.04657 1.05012 1.05673 1.06462 1.06549 1.06899 1.07303 1.07631 1.08047 1.08404 1.09013 1.09137 1.10149 1.10186 1.11461 1.11659 1.11754 1.12307 1.13238 1.13862 1.14261 1.14815 1.15128 1.16043 1.17817 1.18625 1.20565 1.22934 1.25339 1.26544 1.27370 1.27906 1.28666 1.29340 1.30128 1.31058 1.31613 1.32338 1.32787 1.33250 1.34291 1.34976 1.35631 1.36699 1.37107 1.38214 1.39401 1.39786 1.40265 1.41088 1.41471 1.42320 1.43039 1.44514 1.45329 1.46415 1.46903 1.48064 1.48925 1.49643 1.49954 1.50993 1.52126 1.53647 1.54344 1.55070 1.56583 1.56852 1.58210 1.59606 1.60638 1.61798 1.62635 1.63729 1.64043 1.66076 1.66524 1.68434 1.69097 1.69643 1.70544 1.71171 1.73104 1.73748 1.74849 1.75800 1.76555 1.77514 1.78090 1.79170 1.79541 1.80296 1.81350 1.83135 1.84231 1.86967 1.87947 2.02012 2.03682 2.04445 2.05011 2.05410 2.06103 2.15933 2.17677 2.23634 2.25829 2.26701 2.27246 2.28025 2.30718 2.32435 2.33042 2.35368 2.36477 2.37617 2.38190 2.39589 2.40950 2.41476 2.42984 2.44233 2.45583 2.47753 2.49192 2.52907 2.56281 2.57611 2.58433 2.58928 2.61327 2.67124 2.67815 2.69060 2.69647 2.70432 2.71766 2.73230 2.74381 2.75315 2.76140 2.76823 2.77441 2.78665 2.79629 2.80594 2.83711 2.83741 2.85051 2.87198 2.88493 2.90500 2.93110 3.06987 3.07033 3.07684 3.08493 3.08974 3.09233 3.09864 3.10130 3.10394 3.10493 3.11554 3.12455 3.12860 3.13109 3.13237 3.13523 3.14426 3.14833 3.16127 3.16184 3.16677 3.17131 3.17688 3.18217 3.18879 3.19879 3.20391 3.21844 3.29837 3.30529 3.30704 3.31220 3.31869 3.32982 3.33274 3.34147 3.34642 3.35374 3.35759 3.36538 3.38787 3.41135 3.68568 3.69456 3.69985 3.70488 3.71255 3.72711 3.73052 3.74831 3.75070 3.75152 3.76299 3.77848 3.78799 3.81951 3.90315 3.91191 3.91590 3.92096 3.92488 3.92947 3.93830 3.94683 3.94859 3.95584 3.95899 3.98606 4.00191 4.03951 5.00894 5.01552 5.02408 5.03102 5.03535 5.03957 5.04382 5.04938 5.05584 5.07058 5.07599 5.07943 5.08731 5.13108 5.36291 5.38065 5.39139 5.43448 5.43931 5.44443 5.46118 5.46342 5.47240 5.48513 5.48747 5.51402 5.52944 5.59534 5.65339 5.65958 5.66907 5.67404 5.67607 5.68008 5.68290 5.71510 5.72938 5.74844 5.75593 5.76421 5.78447 5.81313 49.87891 49.89827 49.90709 49.91559 49.92011 49.92355 49.93018 49.93564 49.93740 49.95511 49.95814 49.96587 49.96892 49.99082 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.851697 0.338990 0.439987 -0.796659 0.398318 -0.765028 0.393406 0.413070 0.368582 -0.746516 0.412761 -0.836368 0.375355 -0.787217 0.421091 0.350708 -0.751407 0.392824 0.360965 -0.763411 0.392627 0.369769 -0.729469 0.376836 0.364891 -0.743322 0.317298 0.413952 -0.768126 0.352513 0.415988 -0.791118 0.386603 0.403808 -0.738518 0.413320 0.336106 -0.734550 0.358512 0.396361 0.387841 0.450925 -0.00000 -1.2933 -2.4888 7.1798 7.7082 -83.4058 -86.0319 -113.5368 -4.6725 13.7908 -27.9402 10.9190 8.2930 -19.2120 -4.6725 13.7908 -27.9402 -106.2205 -35.3963 37.7196 -8.8884 -10.6029 105.8755 51.6162 2.6368 23.1174 -7.8522 -2881.0526 -1542.0758 -1607.7306 -68.9158 392.9068 -128.4476 -306.7447 80.2701 -152.8521 -689.7981 -882.2459 -459.2092 -134.7603 -13.4194 86.3308 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF91 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7455159 RMSD=1.277e-09 Dipole=2.2021146,1.4731548,-1.4756121 Quadrupole=-17.8836663,16.8235509,1.0601154,15.8118721,12.2721483,-0.2509102 PG=C01 [X(H28O14)] 0 -1.9345649625 -0.237029894 0.7741140623 0 -0.0559617353 -3.2803039271 -2.8551981262 0 2.5285207295 0.285063899 0.8450998514 0 -0.0725032605 1.4643027889 -0.3303987918 0 -0.7476144209 0.8833503484 0.0907485459 0 0.3716515751 -0.147568661 3.7762799729 0 0.1277928568 -0.9278724189 3.2351023812 0 0.1537764902 2.1460894804 0.3349078695 0 -0.3192042369 0.5125953432 3.5585998815 0 -0.0657124895 -2.5572936981 -2.2158416003 0 0.5668037455 -1.8812315561 -2.5609099192 0 2.2495062618 -0.0106245208 -0.0441246006 0 1.4141112126 0.4879425167 -0.1926378175 0 -0.4368632764 -2.1879246726 2.0834315645 0 0.2405302804 -2.4385409114 1.4037314575 0 -0.8382113754 -3.0105249601 2.3887852923 0 1.4125127313 -2.6418533929 0.1758626601 0 1.7565209935 -1.7220956107 0.1050750822 0 0.8874354876 -2.758314345 -0.6411775985 0 0.723312983 3.0531321666 1.7996376794 0 1.4665094458 2.4884583176 2.106273894 0 1.0426965743 3.9633482418 1.8056790431 0 -1.5458387848 1.7269567635 2.8453345226 0 -0.8425486368 2.2990679299 2.4830665078 0 -1.816921102 1.1652303015 2.0977449564 0 -2.6261799698 0.7482895032 -3.5413619103 0 -2.6676439474 0.3693875331 -4.4279531546 0 -1.7023483907 1.0683014985 -3.4414861551 0 2.4796205582 1.0531593676 2.5472232809 0 3.2220881476 1.1487596944 3.1563221313 0 1.7761235966 0.5638933406 3.0444862521 0 -2.5288166536 -1.3333098873 -1.6777993221 0 -1.6859707406 -1.7833877001 -1.894207562 0 -2.6003310665 -0.6107020234 -2.3375251631 0 -0.0321961672 1.5394521833 -3.0241555107 0 -0.0622536024 1.6306233137 -2.0413287138 0 0.2633543094 2.394131516 -3.3621222111 0 1.7371891177 -0.616937728 -2.9069413144 0 2.1552528927 -0.4821547303 -2.041531791 0 -1.4534901443 -0.957367237 1.2340166462 0 1.1727411528 0.1757373299 -3.0287497228 0 -2.2141174776 -0.6217432439 -0.0902370595 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9346,-.237,.7741;-.056,-3.2803,-2.8552;2.5285,.2851,.8451;-.0725,1.4643,-.3304;-.7476,.8833,.0907;.3717,-.1476,3.7763;.1278,-.9279,3.2351;.1538,2.1461,.3349;-.3192,.5126,3.5586;-.0657,-2.5573,-2.2158;.5668,-1.8812,-2.5609;2.2495,-.0106,-.0441;1.4141,.4879,-.1926;-.4369,-2.1879,2.0834;.2405,-2.4385,1.4037;-.8382,-3.0105,2.3888;1.4125,-2.6419,.1759;1.7565,-1.7221,.1051;.8874,-2.7583,-.6412;.7233,3.0531,1.7996;1.4665,2.4885,2.1063;1.0427,3.9633,1.8057;-1.5458,1.727,2.8453;-.8425,2.2991,2.4831;-1.8169,1.1652,2.0977;-2.6262,.7483,-3.5414;-2.6676,.3694,-4.428;-1.7023,1.0683,-3.4415;2.4796,1.0532,2.5472;3.2221,1.1488,3.1563;1.7761,.5639,3.0445;-2.5288,-1.3333,-1.6778;-1.686,-1.7834,-1.8942;-2.6003,-.6107,-2.3375;-.0322,1.5395,-3.0242;-.0623,1.6306,-2.0413;.2634,2.3941,-3.3621;1.7372,-.6169,-2.9069;2.1553,-.4822,-2.0415;-1.4535,-.9574,1.234;1.1727,.1757,-3.0288;-2.2141,-.6217,-.0902; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF91/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2O CONF91 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 798 A 798 1120 882 70 70 1293.0778657231 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452833808 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 5.095348 0.000000 4.494080 5.751835 0.000000 2.753499 5.374586 3.088321 0.000000 1.769489 5.147135 3.414682 0.985214 0.000000 3.786771 7.346658 3.664843 4.433984 3.987316 0.000000 3.284364 6.531421 3.598169 4.298304 3.732804 0.980415 0.000000 3.198958 6.298136 3.059922 0.979116 1.570551 4.141422 4.226233 0.000000 3.305252 7.456017 3.940100 4.011349 3.513828 0.980042 1.542532 3.644750 0.000000 4.220908 0.965202 4.917154 4.441641 4.198021 6.473298 5.692561 5.355027 6.544666 0.000000 4.481365 1.559438 4.487992 4.071424 4.049926 6.572948 5.890279 4.977516 6.630522 0.988033 0.000000 4.269336 4.889593 0.977753 2.765699 3.130513 4.259176 4.012025 3.031034 4.455520 4.069658 3.558773 0.000000 3.560032 4.842522 1.536219 1.783895 2.215787 4.152458 3.925373 2.148534 4.132405 3.944198 3.455377 0.984129 0.000000 2.786290 5.072321 4.054953 4.392960 3.674246 2.771730 1.798031 4.710612 3.079411 4.331043 4.761441 4.060014 3.970751 0.000000 3.158181 4.351431 3.600693 4.282217 3.706119 3.300717 2.376710 4.708370 3.696751 3.634446 4.016893 3.468004 3.534118 0.991798 0.000000 3.391376 5.308866 4.957697 5.291914 4.522327 3.403737 2.446806 5.638539 3.748361 4.690923 5.267718 4.944942 4.896527 0.964879 1.568815 0.000000 4.164614 3.428027 3.203154 4.395690 4.135270 4.501983 3.734593 4.953192 4.938856 2.812925 2.963730 2.769895 3.151415 2.695378 1.709544 3.177846 0.000000 4.034495 3.804777 2.274271 3.699744 3.613758 4.227853 3.616714 4.193384 4.607528 3.066716 2.923735 1.787296 2.256135 2.990289 2.120856 3.688905 0.984534 0.000000 4.040249 2.462592 3.763553 4.341493 4.058427 5.157127 4.353518 5.054125 5.458293 1.851612 2.134819 3.124341 3.319150 3.082630 2.168501 3.496018 0.978174 1.544653 0.000000 4.352147 7.898555 3.439785 2.773943 3.129198 3.778262 4.273593 1.814533 3.261153 6.944315 6.586867 3.887844 3.320627 5.375428 5.527051 6.289149 5.961921 5.171253 6.305349 0.000000 4.557438 7.759687 2.751977 3.058566 3.397213 3.307004 3.838975 2.231193 3.033490 6.818211 6.456490 3.388615 3.047918 5.048951 5.125613 5.969118 5.481743 4.670939 5.950835 0.982458 0.000000 5.250847 8.683394 4.081686 3.471560 3.953807 4.607950 5.177291 2.501155 4.103072 7.740799 7.311134 4.546496 4.026123 6.332804 6.464458 7.246567 6.813351 5.977112 7.154856 0.964643 1.563737 0.000000 2.880678 7.732300 4.762394 3.510696 2.989411 2.838534 3.162448 3.060491 1.867633 6.794195 6.834454 5.076693 4.418794 4.139640 4.756123 4.811747 5.913072 5.505503 6.180149 2.828652 3.193797 3.575311 0.000000 3.247277 7.761777 4.254792 3.034039 2.781448 3.022038 3.452574 2.372899 2.149918 6.802019 6.700961 4.613261 3.941076 4.522985 4.978249 5.310432 5.900949 5.346004 6.191192 1.867515 2.347252 2.604387 0.976302 0.000000 1.931883 6.884432 4.607242 3.004716 2.291486 3.054631 3.075154 2.820165 2.191617 5.960784 6.055257 4.744056 4.017977 3.626074 4.207366 4.298780 5.349464 5.007681 5.496312 3.178967 3.540045 4.011506 0.973608 1.543847 0.000000 4.480236 4.827671 6.784288 4.164640 4.091391 7.958482 7.504289 4.970661 7.469079 4.386329 4.250978 6.048052 5.254111 6.712135 6.544300 7.245148 6.451501 6.213483 5.749159 6.712502 7.188469 7.237963 6.550940 6.471475 5.712116 0.000000 5.288350 4.755491 7.403535 4.972278 4.936531 8.764360 8.259526 5.813943 8.325906 4.497660 4.360366 6.598540 5.883254 7.342640 7.095808 7.825507 6.849115 6.670523 6.063067 7.581818 8.017344 8.095761 7.483459 7.403839 6.628863 0.965054 0.000000 4.419174 4.686650 6.073593 3.534413 3.663660 7.607625 7.204926 4.343729 7.157032 4.162418 3.824161 5.321964 4.539180 6.536756 6.288788 7.167679 6.045893 5.685788 5.402934 6.106780 6.544933 6.591609 6.323167 6.111822 5.541264 0.982775 1.547060 0.000000 4.928848 7.375245 1.868043 3.868215 4.059329 2.719533 3.150993 3.390927 3.024651 6.496220 6.193750 2.810636 2.993596 4.384701 4.302682 5.248489 4.518317 3.766829 5.218073 2.764668 1.811329 3.329240 4.092334 3.548692 4.321442 7.951919 8.695686 7.304364 0.000000 5.846914 8.154789 2.562958 4.807403 5.022621 3.192147 3.727368 4.285975 3.620398 7.307846 6.994149 3.540190 3.862770 5.066802 4.982970 5.863002 5.150383 4.438446 5.927633 3.422149 2.445291 3.807347 4.812915 4.277587 5.149026 8.900651 9.634189 8.233324 0.965090 0.000000 4.423265 7.276034 2.341185 3.951962 3.898188 1.736157 2.231299 3.532304 2.158088 6.387896 6.233904 3.177055 3.258189 3.659705 3.750298 4.476735 4.317178 3.723744 5.040927 2.975629 2.163343 3.691728 3.525310 3.191155 3.764026 7.923867 8.696106 7.377129 0.990737 1.563774 0.000000 2.750790 3.360367 5.878845 3.959242 3.348735 6.290126 5.599871 4.832548 5.975753 2.802590 3.265420 5.220226 4.590136 4.387880 4.287966 4.712569 4.547794 4.657673 3.843956 6.473777 6.699832 7.276326 5.548893 5.774987 4.583038 2.795604 3.237560 3.092148 6.973557 7.912162 6.665724 0.000000 3.094020 2.412714 5.435461 3.949211 3.454281 6.250131 5.507401 4.877952 6.072289 1.824175 2.351395 4.696113 4.202950 4.188739 3.875182 4.535261 3.823971 3.981411 3.023737 6.545309 6.647605 7.359332 5.899611 6.044695 4.964593 3.163305 3.466697 3.244452 6.717474 7.628524 6.471980 0.979690 0.000000 3.203931 3.724054 6.102182 3.837201 3.400186 6.813647 6.212683 4.725136 6.421030 3.198174 3.419779 5.398213 4.682233 5.168470 5.040683 5.585895 5.152243 5.116996 4.433323 6.448752 6.774314 7.166570 5.782615 5.898700 4.841414 1.815695 2.309761 2.200944 7.241209 8.196257 7.035558 0.981078 1.551701 0.000000 4.604536 4.822775 4.806443 2.695106 3.262655 7.018195 6.729903 3.418465 6.668544 4.175862 3.503495 4.060725 3.348876 6.335972 5.958607 7.117013 5.459910 4.860997 4.999510 5.111849 5.428447 5.509807 6.064420 5.618112 5.436833 2.760832 3.207068 1.784813 6.130739 6.995807 6.407039 4.037146 3.879822 3.419056 0.000000 3.862693 4.977914 4.105376 1.719026 2.360909 6.098755 5.867090 2.441081 5.716223 4.191553 3.605385 3.467961 2.627362 5.633408 5.340245 6.462838 5.034375 4.376724 4.703733 4.170572 4.502844 4.632709 5.107816 4.639594 4.519666 3.098763 3.751633 2.228577 5.277253 6.167225 5.512083 3.873111 3.783328 3.398986 0.987504 0.000000 5.372365 5.705975 5.223013 3.188844 3.902158 7.578176 7.387656 3.706962 7.195551 5.093020 4.360361 4.553763 3.873426 7.151196 6.787386 7.968481 6.260914 5.585188 5.860095 5.223946 5.599985 5.456738 6.500063 5.949646 5.970586 3.330215 3.718378 2.372364 6.452163 7.266029 6.832487 4.952472 4.838007 4.275455 0.965427 1.559955 0.000000 5.213087 3.211166 3.939242 3.774271 4.172680 6.837430 6.357007 4.544348 6.878068 2.737344 1.757265 2.970825 2.948319 5.665538 4.913260 6.356624 3.702618 3.208425 3.231294 6.053862 5.903311 6.608338 7.025724 6.649084 6.391769 4.615769 4.763283 3.867323 5.752247 6.487355 6.067567 4.496975 3.755564 4.374741 2.791860 3.006461 3.383181 0.000000 4.971374 3.658027 3.010082 3.417539 3.851995 6.094269 5.670285 4.069526 6.202737 3.044548 2.179528 2.054473 2.215579 5.161787 4.400392 5.914490 3.183206 2.510849 2.957914 5.413251 5.148126 5.983420 6.516112 6.098689 5.968723 5.159998 5.447978 4.386898 4.849647 5.551189 5.206298 4.774649 4.058314 4.766520 3.136459 3.062869 3.687311 0.970504 0.000000 0.980729 4.906200 4.189427 3.196718 2.278939 3.232649 2.550621 3.608760 2.975077 4.048112 4.397338 4.030155 3.513887 1.808123 2.256631 2.434649 3.488718 3.487620 3.498528 4.598098 4.600103 5.547178 3.132167 3.540868 2.320243 5.204681 5.940736 5.101528 4.608263 5.476501 4.002804 3.126713 3.243785 3.767138 5.136751 4.400127 5.941767 5.238689 4.896741 0.000000 4.928235 3.672064 4.105703 3.239156 3.730918 6.859643 6.445597 4.029239 6.762585 3.108705 2.194802 3.178387 2.863435 5.857655 5.229757 6.598930 4.273856 3.709909 3.793489 5.638680 5.639454 6.142850 6.655962 6.240997 6.016488 3.875873 4.091922 3.038612 5.793900 6.587997 6.115467 4.219457 3.646586 3.915655 1.819784 2.148699 2.420619 0.980700 1.540374 5.133439 0.000000 0.986538 4.401203 4.918310 2.999296 2.109193 4.675575 4.078743 3.667229 4.265141 3.588899 3.927347 4.505500 3.795515 3.215026 3.399705 3.707418 4.159820 4.124911 3.806324 5.069993 5.295756 5.935015 3.818451 4.127255 2.852771 3.735913 4.472562 3.788011 5.638499 6.574736 5.210974 1.767970 2.209676 2.280260 4.247284 3.675654 5.092995 4.852491 4.787320 1.563600 4.554299 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1819,-.2176,-2.0724;-3.4342,2.6757,.0525;1.4914,.5755,2.1529;-.0128,-1.4564,.379;.0852,-1.0382,-.5077;3.6125,.7933,-.8278;2.8689,1.3841,-1.0713;.8216,-1.9408,.5457;3.3786,-.0612,-1.2468;-2.6748,2.0809,.0185;-2.6909,1.5715,.865;.5179,.6466,2.095;.277,-.0862,1.4839;1.3632,2.2488,-1.5385;.8387,2.5813,-.7653;1.368,2.9573,-2.1934;-.0669,2.9311,.6419;.1563,2.1482,1.1955;-.9949,2.7726,.3765;2.5455,-2.4243,.8405;2.8975,-1.6323,1.3032;2.8327,-3.1941,1.3459;2.6648,-1.6659,-1.8819;2.6274,-2.0591,-.9891;1.7681,-1.32,-2.0373;-3.8408,-1.975,-1.1772;-4.7701,-1.7567,-1.0357;-3.4428,-1.9992,-.279;3.252,.081,1.7719;4.0345,.2913,2.2962;3.4348,.4152,.8573;-2.52,.2948,-2.1356;-2.6102,.9309,-1.396;-3.0001,-.5058,-1.8339;-2.5238,-1.9069,1.2483;-1.5853,-1.8592,.9445;-2.5789,-2.6809,1.8227;-2.4422,.6588,2.3459;-1.4916,.7764,2.502;.5778,.6691,-1.9347;-2.5247,-.2711,2.0457;-.7878,-.0587,-2.1591; 0.3961147 0.2485018 0.2360929 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 798 RedAO= T EigKep= 8.58D-05 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 882 882 882 882 882 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.75651707228 -1070.78252015662 -0.026003084340 -1070.78262352283 -0.000103366210 -1070.78264165095 -0.000018128118 -1070.78265125658 -0.000009605634 -1070.78265134057 -0.000000083988 -1070.78265135284 -0.000000012276 -1070.78265135343 -0.000000000586 -1070.78265135 8 1.066990492462e+03 -5.117393452861e+03 1.686573949132e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 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. PT3269.300S Tue Nov 5 08:12:49 2024 -19.13152 -19.13057 -19.12825 -19.12784 -19.12652 -19.12251 -19.12142 -19.11991 -19.11692 -19.11523 -19.11408 -19.11331 -19.11278 -19.11044 -1.02984 -1.02464 -1.02140 -1.01765 -1.01395 -1.01212 -1.00909 -1.00749 -1.00286 -1.00172 -0.99613 -0.99165 -0.98919 -0.98622 -0.54987 -0.54392 -0.53895 -0.53619 -0.53485 -0.53287 -0.53214 -0.52947 -0.52731 -0.52161 -0.52086 -0.51936 -0.51575 -0.51548 -0.44832 -0.43414 -0.42972 -0.42570 -0.42130 -0.40490 -0.40243 -0.40092 -0.39658 -0.38805 -0.38274 -0.38140 -0.37764 -0.36534 -0.33329 -0.33121 -0.32812 -0.32735 -0.32503 -0.32367 -0.32260 -0.32045 -0.31978 -0.31858 -0.31796 -0.31503 -0.31322 -0.31193 -0.00132 0.02378 0.03457 0.04477 0.05708 0.05898 0.07504 0.07631 0.08498 0.09261 0.10747 0.10937 0.11075 0.11448 0.11798 0.12062 0.13343 0.13448 0.13727 0.13962 0.14536 0.15126 0.15933 0.16093 0.16307 0.17404 0.17506 0.17923 0.18597 0.18753 0.18995 0.19277 0.19811 0.20454 0.20789 0.21145 0.21498 0.21898 0.22369 0.22699 0.23184 0.23404 0.24124 0.24295 0.24513 0.24911 0.25530 0.25749 0.26013 0.26485 0.26730 0.27088 0.27196 0.27903 0.28077 0.28181 0.28430 0.28552 0.28795 0.29241 0.29629 0.29913 0.30167 0.30864 0.31179 0.31292 0.32002 0.33580 0.33951 0.35631 0.36849 0.37590 0.40176 0.41349 0.43047 0.44129 0.44846 0.45018 0.45456 0.46091 0.46354 0.47785 0.48177 0.49124 0.49587 0.50551 0.50769 0.51011 0.51733 0.52176 0.52573 0.53226 0.53879 0.53962 0.54535 0.55248 0.55841 0.56253 0.56545 0.57197 0.57499 0.58809 0.59098 0.59488 0.60226 0.60901 0.61294 0.61781 0.62048 0.63174 0.63240 0.64207 0.64561 0.66254 0.67106 0.67392 0.68062 0.68406 0.69122 0.70475 0.70741 0.71246 0.72178 0.72680 0.73583 0.74741 0.75377 0.76018 0.76728 0.77395 0.78098 0.78734 0.79553 0.80280 0.80552 0.81897 0.82041 0.82532 0.83545 0.83667 0.84076 0.84695 0.85452 0.85936 0.86536 0.86847 0.87591 0.88022 0.88560 0.89029 0.89108 0.89293 0.90288 0.90944 0.91032 0.91798 0.92355 0.93024 0.93166 0.93451 0.94051 0.94561 0.94974 0.95773 0.96302 0.96887 0.97263 0.97840 0.98554 0.98879 0.99169 0.99413 1.00066 1.00928 1.01208 1.01624 1.01859 1.03034 1.03269 1.03557 1.04304 1.04718 1.04882 1.05410 1.05972 1.06612 1.06815 1.07435 1.07901 1.08245 1.08701 1.08992 1.09546 1.10122 1.10924 1.11194 1.11364 1.12178 1.12503 1.12784 1.13465 1.13789 1.14380 1.14653 1.15851 1.16278 1.16897 1.17366 1.18405 1.19177 1.19853 1.20685 1.21549 1.21754 1.22395 1.23109 1.24024 1.24586 1.24770 1.25976 1.26415 1.27192 1.27924 1.28256 1.29109 1.29649 1.29911 1.31434 1.31743 1.32036 1.32877 1.33641 1.34701 1.35232 1.36471 1.37125 1.37572 1.37899 1.39601 1.40113 1.41223 1.41841 1.42721 1.43640 1.44420 1.44987 1.45380 1.46896 1.47796 1.48182 1.48721 1.49349 1.51174 1.51556 1.52151 1.52779 1.53033 1.54189 1.54997 1.55685 1.56689 1.57201 1.58111 1.58267 1.59320 1.60083 1.60459 1.61183 1.61634 1.63067 1.64143 1.64782 1.66361 1.67935 1.68250 1.70881 1.71464 1.72417 1.73613 1.73944 1.77140 1.78544 1.78759 1.79851 1.82127 1.83257 1.85965 1.88303 1.89050 1.91342 1.92314 1.93566 1.94736 1.97441 2.00045 2.02391 2.03218 2.05318 2.06671 2.08397 2.10473 2.12894 2.15236 2.16577 2.18686 2.20389 2.20882 2.22696 2.23131 2.24358 2.26797 2.27903 2.28247 2.28589 2.30875 2.31075 2.32532 2.34149 2.36074 2.37017 2.39075 2.42753 2.71134 2.73095 2.73250 2.73537 2.74144 2.75864 2.76526 2.76878 2.77586 2.78792 2.79519 2.82164 2.82949 2.83885 2.85157 2.86039 2.87490 2.88395 2.90255 2.91033 2.92460 2.94089 2.95637 2.97288 3.00234 3.01969 3.08448 3.10292 3.11493 3.12883 3.14374 3.17735 3.18339 3.18511 3.18733 3.20506 3.21724 3.22299 3.22536 3.22896 3.24547 3.24787 3.26598 3.27400 3.28315 3.29539 3.30116 3.30938 3.31837 3.32470 3.33014 3.33250 3.34240 3.35522 3.35861 3.36670 3.37708 3.38815 3.39263 3.40032 3.40774 3.41199 3.41876 3.42792 3.43480 3.43961 3.44499 3.45077 3.45556 3.46354 3.46985 3.47957 3.48369 3.49172 3.49513 3.49903 3.50643 3.51352 3.52921 3.53304 3.53784 3.54315 3.54529 3.55235 3.56276 3.56788 3.57533 3.58685 3.59534 3.60120 3.60709 3.61827 3.62370 3.63334 3.64726 3.67308 3.68890 3.71676 3.78850 3.80601 3.81595 3.83181 3.86629 3.87449 3.90157 3.92184 3.92953 3.96531 3.99285 4.00029 4.01308 4.01984 4.02335 4.04116 4.05042 4.06064 4.07834 4.08039 4.11388 4.13218 4.13827 4.14575 4.15025 4.15761 4.17119 4.18057 4.18501 4.19566 4.20226 4.20503 4.20949 4.21609 4.22774 4.24043 4.25876 4.26516 4.27908 4.28495 4.29578 4.31483 4.31835 4.33790 4.35662 4.35761 4.36591 4.36918 4.37198 4.39382 4.41075 4.42115 4.42989 4.45163 4.46564 4.48757 4.63675 4.64563 4.64788 4.65341 4.65777 4.66887 4.71556 4.72982 4.75085 4.75673 4.78053 4.79066 4.81211 4.83980 4.85236 4.86099 4.86433 4.87877 4.88097 4.88456 4.88597 4.89734 4.90836 4.93279 4.93807 4.94250 4.95764 5.00271 5.03130 5.03959 5.03974 5.05175 5.05339 5.06048 5.06217 5.06762 5.11370 5.14656 5.16874 5.17175 5.17693 5.19470 5.19986 5.20396 5.21408 5.23340 5.23702 5.24098 5.24175 5.24666 5.26046 5.26561 5.27064 5.27585 5.28256 5.28876 5.29269 5.29969 5.30591 5.31389 5.32185 5.33367 5.33735 5.34195 5.35530 5.36034 5.36246 5.37166 5.37431 5.37715 5.38523 5.38870 5.39977 5.40147 5.40936 5.41715 5.41879 5.42400 5.42590 5.43624 5.43802 5.44270 5.44611 5.45081 5.45699 5.46383 5.47027 5.49680 5.50238 5.50555 5.51499 5.51949 5.53714 5.54654 5.56012 5.57139 5.57212 5.57820 5.58398 5.58523 5.58901 5.59121 5.59482 5.59687 5.59994 5.60233 5.60758 5.61177 5.61862 5.62556 5.64063 5.65151 5.66986 5.67545 5.69294 5.69593 5.70216 5.71676 5.72122 5.72990 5.74183 5.75813 5.76076 5.77561 5.78906 5.79967 5.80232 5.81459 5.84452 5.85320 5.86614 5.89017 5.92265 5.93371 5.93899 5.95704 5.96582 5.99083 6.00791 6.04015 6.93967 6.94841 6.95571 6.95961 6.96649 6.97786 6.99219 6.99366 6.99921 7.00661 7.01050 7.01448 7.02420 7.02778 7.03444 7.04818 7.05751 7.06205 7.06547 7.07952 7.08359 7.10806 7.11710 7.12385 7.14646 7.15396 7.17273 7.19829 14.36662 14.37099 14.37463 14.37831 14.38034 14.38469 14.38636 14.38759 14.39006 14.39267 14.39696 14.40079 14.40129 14.40583 14.41019 14.41138 14.41841 14.42014 14.42370 14.42737 14.43115 14.43237 14.44467 14.44712 14.45150 14.45234 14.45955 14.45999 14.46738 14.47286 14.47776 14.48126 14.48957 14.49143 14.49853 14.49917 14.50514 14.50766 14.52431 14.53275 14.57116 14.59885 14.67060 14.67499 14.67790 14.67837 14.68146 14.68632 14.68882 14.68974 14.69954 14.70606 14.71162 14.71740 14.72036 14.74091 15.05559 15.05629 15.05845 15.06093 15.06929 15.07295 15.08026 15.08120 15.08295 15.08404 15.08860 15.09146 15.12637 15.14364 50.00726 50.02481 50.02819 50.03978 50.04454 50.04781 50.05652 50.06355 50.07615 50.07806 50.09477 50.09919 50.11210 50.14944 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.913499 0.301102 0.412976 -0.886864 0.478838 -0.849860 0.431196 0.420033 0.407001 -0.783066 0.488679 -0.911449 0.492851 -0.802894 0.501194 0.306793 -0.891678 0.464350 0.413194 -0.726143 0.421222 0.320358 -0.758369 0.385320 0.355734 -0.794553 0.293848 0.490410 -0.765675 0.313070 0.476584 -0.868505 0.437661 0.442255 -0.794741 0.493628 0.292664 -0.776826 0.344631 0.431181 0.430433 0.476915 -0.00000 -1.1961 -2.4005 6.9294 7.4303 -82.5219 -85.0786 -111.7474 -4.5911 13.3798 -27.0302 10.5941 8.0373 -18.6314 -4.5911 13.3798 -27.0302 -101.4400 -33.6182 35.7667 -8.4100 -10.4401 102.8861 50.0121 2.3891 22.2397 -7.7294 -2864.8513 -1527.1608 -1588.3632 -67.8779 379.6772 -127.3103 -300.1292 78.9678 -145.8501 -684.4303 -866.6599 -454.7015 -128.2431 -12.9037 84.2532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GASCONES LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF91 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7826514 RMSD=6.262e-09 Dipole=2.1306627,1.4257366,-1.4047603 Quadrupole=-17.3219235,16.3094439,1.0124796,15.3047351,11.8941026,-0.1874963 PG=C01 [X(H28O14)] 0 -1.9345649625 -0.237029894 0.7741140623 0 -0.0559617353 -3.2803039271 -2.8551981262 0 2.5285207295 0.285063899 0.8450998514 0 -0.0725032605 1.4643027889 -0.3303987918 0 -0.7476144209 0.8833503484 0.0907485459 0 0.3716515751 -0.147568661 3.7762799729 0 0.1277928568 -0.9278724189 3.2351023812 0 0.1537764902 2.1460894804 0.3349078695 0 -0.3192042369 0.5125953432 3.5585998815 0 -0.0657124895 -2.5572936981 -2.2158416003 0 0.5668037455 -1.8812315561 -2.5609099192 0 2.2495062618 -0.0106245208 -0.0441246006 0 1.4141112126 0.4879425167 -0.1926378175 0 -0.4368632764 -2.1879246726 2.0834315645 0 0.2405302804 -2.4385409114 1.4037314575 0 -0.8382113754 -3.0105249601 2.3887852923 0 1.4125127313 -2.6418533929 0.1758626601 0 1.7565209935 -1.7220956107 0.1050750822 0 0.8874354876 -2.758314345 -0.6411775985 0 0.723312983 3.0531321666 1.7996376794 0 1.4665094458 2.4884583176 2.106273894 0 1.0426965743 3.9633482418 1.8056790431 0 -1.5458387848 1.7269567635 2.8453345226 0 -0.8425486368 2.2990679299 2.4830665078 0 -1.816921102 1.1652303015 2.0977449564 0 -2.6261799698 0.7482895032 -3.5413619103 0 -2.6676439474 0.3693875331 -4.4279531546 0 -1.7023483907 1.0683014985 -3.4414861551 0 2.4796205582 1.0531593676 2.5472232809 0 3.2220881476 1.1487596944 3.1563221313 0 1.7761235966 0.5638933406 3.0444862521 0 -2.5288166536 -1.3333098873 -1.6777993221 0 -1.6859707406 -1.7833877001 -1.894207562 0 -2.6003310665 -0.6107020234 -2.3375251631 0 -0.0321961672 1.5394521833 -3.0241555107 0 -0.0622536024 1.6306233137 -2.0413287138 0 0.2633543094 2.394131516 -3.3621222111 0 1.7371891177 -0.616937728 -2.9069413144 0 2.1552528927 -0.4821547303 -2.041531791 0 -1.4534901443 -0.957367237 1.2340166462 0 1.1727411528 0.1757373299 -3.0287497228 0 -2.2141174776 -0.6217432439 -0.0902370595