Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF160 water EM64L-G16RevC.01 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 75 75 510 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(H30O15)] C1[X(H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 239.99100000000004 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3464,-1.2767,-1.4094;-2.2965,-2.5264,-.7618;1.2136,2.4529,1.3522;-.7263,1.0688,-2.1756;-1.2929,1.3612,-1.4364;3.8068,.5428,-1.7338;3.105,1.2108,-1.8462;.0975,1.5841,-2.0629;3.4252,-.2817,-2.1072;-1.5006,-3.0764,-.5981;-1.3155,-2.9707,.351;2.03,2.7948,.9384;2.6651,2.0638,1.0476;-2.1608,1.9287,.0363;-2.8458,1.322,.4015;-2.5613,2.8039,.0265;-2.1631,-.3541,3.1815;-1.5235,.3434,2.9575;-1.715,-1.1754,2.8968;-.2289,1.4805,1.9757;.2075,.6591,1.6534;-.8853,1.7007,1.2843;-3.5929,-1.3863,-1.15;-3.11,-.7628,-1.7022;-3.7284,-.9033,-.3113;1.0732,-.7639,1.1246;2.0115,-.4829,1.1403;.8493,-.9031,.1727;1.6704,2.3885,-1.7044;1.8047,3.2283,-2.1551;1.7511,2.5903,-.739;3.5435,.4056,.9188;3.7142,.4014,-.0582;4.3804,.1873,1.34;-3.8221,.113,1.1482;-3.2687,-.1011,1.944;-4.6646,.4377,1.4822;2.6376,-1.7181,-2.753;1.7686,-1.6144,-2.3042;2.4655,-1.4903,-3.6723;-.7555,-2.5093,2.1174;.0237,-1.9716,1.8613;-.3399,-1.958,-1.2083;-.4152,-3.2046,2.6891;-.1235,-.4601,-1.7099; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372134/Gau-198652.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372134/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF160/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 15-agua/ CONF160 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 43 44 45 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 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 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 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 -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 R49 R50 R51 R52 1 1 1 1 2 2 3 3 4 4 4 5 6 6 6 7 8 9 10 10 11 12 12 13 14 14 14 15 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 38 38 41 41 28 39 43 45 10 23 12 20 5 8 45 14 7 9 33 29 29 38 11 43 41 13 31 32 15 16 22 35 18 19 36 41 21 22 26 24 25 35 27 28 42 32 30 31 33 34 36 37 39 40 42 44 1.7017 1.7138 0.9878 0.9889 0.9811 1.7696 0.9771 1.848 0.9762 0.9782 1.7082 1.8012 0.9754 0.9822 1.684 1.8615 1.8026 1.7609 0.9727 1.7234 1.9097 0.9745 1.7127 1.881 0.9852 0.9624 1.799 1.724 0.9725 0.9779 1.6786 1.8186 0.9844 0.9785 1.7475 0.9627 0.9773 1.7809 0.9796 0.9878 1.7614 1.7848 0.9625 0.9896 0.9919 0.962 0.9928 0.9627 0.9836 0.9626 0.9807 0.9624 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 28 28 28 39 39 43 5 5 8 7 7 9 2 2 11 3 3 13 12 5 5 5 15 15 16 18 18 19 3 3 21 2 2 24 21 21 21 27 27 28 26 7 7 7 8 8 30 13 13 13 27 27 33 15 15 15 25 25 36 9 9 39 11 11 11 19 19 42 26 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 12 12 12 13 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 27 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 41 41 41 41 41 42 39 43 45 43 45 45 8 45 45 9 33 33 11 43 43 13 31 31 32 15 16 22 16 22 22 19 36 36 21 22 22 24 25 25 27 28 42 28 42 42 32 8 30 31 30 31 31 27 33 34 33 34 34 25 36 37 36 37 37 39 40 40 19 42 44 42 44 44 41 106.4634 99.6419 103.9856 123.1623 113.4781 107.5296 104.1149 105.4494 98.2188 104.5672 97.6198 106.6473 104.8479 97.0943 98.4434 103.5669 103.7037 97.2514 163.3353 116.3594 118.5992 100.6947 105.933 99.0748 114.6668 103.5339 98.9284 102.3374 88.9999 99.6021 104.7081 100.1139 103.3965 103.9898 103.6584 107.1079 97.8521 105.836 139.5219 99.8671 164.36 112.0244 114.1325 98.0745 114.7018 110.8687 105.5149 91.6935 98.7124 125.1927 105.5383 125.4134 106.2953 90.887 100.529 114.1674 120.2984 121.5257 106.4059 98.1508 103.7179 104.6456 114.7657 97.1183 118.5896 97.4115 117.5127 105.69 163.4354 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 A99 A100 A101 A102 A103 A104 A105 A106 A107 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 1 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 1 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 45 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 45 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 4 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 4 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 3 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 3 -1 -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 -2 174.8299 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 169.2987 181.6766 174.532 180.0696 176.3508 171.6386 173.1872 170.4905 181.9678 177.0995 173.0408 185.883 176.9202 176.1781 174.2827 173.3741 175.959 173.852 174.9283 175.1078 173.5247 169.5207 172.5622 180.6833 185.7548 173.1005 185.073 177.0904 185.397 179.6952 182.305 186.3772 187.7038 185.3438 177.2565 188.2861 174.3078 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 28 28 39 39 43 43 28 28 39 39 45 45 39 39 39 43 43 43 45 45 45 28 28 43 43 45 45 8 8 8 45 45 45 5 5 5 45 45 45 9 9 9 33 33 33 7 7 7 9 9 9 7 7 33 33 11 11 43 43 2 2 2 43 43 43 13 13 31 31 3 31 3 3 3 13 13 13 12 12 12 5 5 15 15 16 16 5 5 5 16 16 16 22 22 22 18 18 18 19 19 19 18 18 18 36 36 36 3 3 3 22 22 22 2 2 2 24 24 24 21 28 42 21 27 28 26 26 26 11 19 44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 27 27 27 41 41 41 4 4 4 4 4 4 10 10 10 10 10 10 26 26 26 26 26 26 26 26 26 38 38 38 38 38 38 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 23 23 23 23 41 41 41 41 41 41 20 20 20 20 13 13 29 29 29 29 29 29 32 32 32 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 41 41 26 26 26 26 26 26 35 35 35 35 35 35 27 27 27 42 42 42 32 32 32 42 42 42 5 8 5 8 5 8 2 11 2 11 2 11 21 27 42 21 27 42 21 27 42 9 40 9 40 9 40 15 16 22 15 16 22 7 30 31 7 30 31 8 30 31 8 30 31 13 27 34 13 27 34 39 40 39 40 24 25 24 25 19 42 44 19 42 44 21 22 21 22 32 32 7 8 30 7 8 30 27 33 34 3 21 3 21 3 21 25 36 37 25 36 37 25 36 37 15 25 37 15 25 37 11 42 44 11 42 44 27 28 42 27 28 42 15 36 37 15 36 37 32 32 32 41 41 41 13 33 34 26 26 26 -46.338 59.9855 -158.8218 -52.4983 59.0428 165.3663 105.4044 -0.3526 -140.7956 113.4475 -0.7621 -106.519 134.5443 22.5119 -125.2303 -97.0986 150.869 3.1268 13.3032 -98.7292 113.5286 -46.2754 -151.7623 -159.527 94.9861 65.9802 -39.5066 -154.0692 75.4421 -49.1127 -52.7832 176.7281 52.1733 132.3329 -94.5929 25.3695 25.3434 158.4176 -81.62 10.4218 -124.8013 125.0325 -96.8773 127.8997 17.7335 -19.5314 73.1636 -149.7814 -126.3107 -33.6157 103.4392 -45.3669 61.5807 56.4543 163.4019 112.0397 5.5703 12.5428 -93.9266 -6.7071 -106.648 142.534 91.1312 -8.8096 -119.6277 -28.6363 -132.7259 70.1574 -33.9323 65.8246 -40.2192 -116.9601 -1.2663 126.1254 -11.5988 104.0949 -128.5134 -45.6291 60.3722 177.4645 56.5966 -35.2312 175.2323 83.4045 -72.9623 -164.7901 -13.7003 107.0219 -140.1545 124.4226 -114.8552 -2.0317 -117.319 3.4031 116.2267 4.5189 98.8301 -113.77 -100.7949 -6.4837 140.9162 -96.3168 3.3579 114.5456 4.1699 103.8446 -144.9678 25.073 -86.3634 170.2801 124.3287 12.8923 -90.4642 98.1542 -3.1566 -143.7195 -4.7295 -106.0402 113.3969 -49.5376 63.0196 -169.6248 56.2094 178.1331 -52.7806 34.5925 -64.9344 171.3523 54.2727 -61.9565 176.684 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 525 A 510 A 780 525 1456.1520277396 45 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= 510 RedAO= T EigKep= 1.20D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Berny optimization. local minimum Step number 38 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00080 0.00104 0.00210 0.00264 0.00314 0.00332 0.00366 0.00390 0.00425 0.00474 0.00518 0.00579 0.00636 0.00641 0.00688 0.00744 0.00802 0.00968 0.01012 0.01189 0.01317 0.01406 0.01458 0.01605 0.01735 0.01903 0.02137 0.02260 0.02569 0.02644 0.02765 0.03148 0.03259 0.03328 0.03477 0.03638 0.03732 0.03818 0.03884 0.03981 0.04173 0.04201 0.04276 0.04417 0.04435 0.04525 0.04661 0.04695 0.04763 0.04924 0.04994 0.05105 0.05180 0.05252 0.05337 0.05411 0.05465 0.05497 0.05632 0.05683 0.05717 0.05767 0.05931 0.06071 0.06140 0.06190 0.06264 0.06326 0.06363 0.06411 0.06502 0.06623 0.06643 0.06681 0.06830 0.06878 0.07016 0.07090 0.07137 0.07173 0.07354 0.07430 0.07549 0.07739 0.07866 0.08057 0.08335 0.08393 0.08715 0.09164 0.09746 0.09851 0.10180 0.10492 0.10945 0.11331 0.12559 0.12974 0.13598 0.38731 0.40083 0.40731 0.42103 0.43188 0.44508 0.46043 0.46776 0.47620 0.48563 0.48706 0.48947 0.49216 0.49434 0.49743 0.50209 0.50536 0.51053 0.51190 0.51457 0.51636 0.52718 0.53042 0.54918 0.54933 0.54959 0.54979 0.55023 0.55080 0.57225 -9.62887357e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 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 A99 A100 A101 A102 A103 A104 A105 A106 A107 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 3.32283 3.28939 1.85803 1.86397 1.85478 3.42071 1.85094 3.51820 1.84986 1.85389 3.32934 3.42024 1.85025 1.85608 3.29118 3.48286 3.42480 3.39807 1.84801 3.41270 3.51584 1.84869 3.31940 3.50577 1.85761 1.82354 3.43589 3.36577 1.84962 1.85070 3.28103 3.47838 1.86150 1.85209 3.36477 1.82589 1.85257 3.38496 1.85182 1.86247 3.38762 3.42292 1.82429 1.86921 1.87020 1.82298 1.87090 1.82317 1.86114 1.82335 1.85628 1.82404 1.77688 1.72514 1.76042 2.18768 2.05472 1.86677 1.82628 1.95293 1.72394 1.83278 1.70782 1.86684 1.83958 1.58630 1.69688 1.81503 1.80181 1.69963 2.89900 2.06856 2.08692 1.59321 1.85895 1.76368 2.06335 1.80415 1.72748 1.84855 1.52888 1.77205 1.84769 1.78131 1.81262 1.82667 1.81872 1.86639 1.66709 1.84973 2.45377 1.74876 2.92759 1.95808 2.02151 1.72147 1.99198 1.89407 1.84802 1.53583 1.75831 2.22506 1.82322 2.18755 1.86333 1.45052 1.76250 2.11557 2.04182 2.16709 1.86703 1.73440 1.93016 1.83796 1.92728 1.75029 2.05834 1.72215 2.08391 1.85014 2.82099 3.03570 2.94583 3.15242 3.09052 3.16393 3.10397 3.03459 2.91388 2.94623 3.23734 3.16540 3.08554 3.28160 3.03270 3.02613 3.00000 3.02132 3.03181 3.02213 2.99201 3.07412 3.08117 2.96983 3.05283 3.20278 3.24464 3.00742 3.21528 3.07212 3.25084 3.18230 3.11292 3.23957 3.31044 3.25956 3.04480 3.26742 3.02705 -0.85312 1.03826 -2.71256 -0.82118 0.94092 2.83229 1.84695 0.00611 -2.54677 1.89558 0.06230 -1.77853 2.39260 0.43584 -2.19295 -1.63933 2.68709 0.05831 0.25561 -1.70115 1.95326 -0.88457 -2.87014 -2.77610 1.52152 0.98704 -0.99853 -2.71216 1.23016 -0.91904 -0.88322 3.05910 0.90990 2.35955 -1.57290 0.49272 0.36084 2.71157 -1.50599 0.22040 -2.15627 2.18423 -1.66615 2.24036 0.29768 -0.31117 1.23870 -2.66104 -2.17881 -0.62894 1.75451 -0.65918 1.26347 1.12522 3.04788 1.68539 -0.19727 0.01371 -1.86895 0.07388 -1.71008 2.59876 1.66892 -0.11504 -2.08938 -0.49401 -2.32561 1.23215 -0.59944 1.29777 -0.54666 -2.04488 -0.03839 2.15232 -0.20298 1.80351 -2.28896 -0.95066 0.87046 2.98278 1.05071 -0.55713 3.13478 1.52694 -1.15087 -2.75871 -0.28034 1.74984 -2.48616 2.22325 -2.02977 0.01742 -1.90116 0.12901 2.17620 -0.00183 1.47409 -2.21469 -1.84339 -0.36748 2.22693 -1.67837 0.11521 2.08228 0.08364 1.87722 -2.43889 0.36914 -1.58531 2.89972 2.12606 0.17162 -1.62654 1.99084 0.27199 -2.14455 0.14553 -1.57332 2.29332 -0.85837 1.10771 -2.91199 0.99353 3.09473 -0.89745 0.64857 -1.10689 3.02558 0.84672 -1.12087 2.99671 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 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 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -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 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 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 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 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 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00018 0.00014 -0.00002 -0.00003 0.00000 -0.00008 -0.00001 0.00005 0.00001 0.00001 0.00022 0.00001 -0.00002 -0.00003 0.00007 0.00045 0.00007 0.00023 0.00001 0.00019 -0.00014 -0.00001 0.00024 0.00008 0.00003 0.00001 0.00014 -0.00018 0.00002 0.00001 -0.00019 -0.00009 0.00002 -0.00002 -0.00012 0.00002 0.00002 -0.00022 -0.00002 0.00002 0.00000 0.00032 0.00000 -0.00003 -0.00001 0.00000 0.00002 -0.00000 -0.00002 -0.00000 0.00001 0.00000 -0.00020 0.00015 0.00000 -0.00019 0.00017 0.00006 0.00004 0.00015 -0.00006 -0.00002 -0.00011 0.00013 0.00002 -0.00006 -0.00012 -0.00001 0.00020 -0.00006 0.00002 -0.00016 -0.00002 -0.00009 -0.00004 0.00010 0.00027 -0.00001 0.00006 -0.00000 -0.00001 -0.00001 0.00000 0.00003 -0.00007 -0.00008 -0.00004 -0.00007 0.00017 0.00004 -0.00022 0.00012 -0.00003 0.00016 0.00002 -0.00008 0.00009 -0.00024 -0.00003 -0.00000 0.00014 0.00006 -0.00022 -0.00000 -0.00000 0.00027 0.00005 -0.00025 0.00007 -0.00018 0.00007 -0.00001 0.00009 0.00001 0.00013 0.00006 -0.00007 -0.00009 -0.00005 0.00001 -0.00008 -0.00010 -0.00022 0.00004 0.00011 0.00029 -0.00015 -0.00007 -0.00016 0.00006 0.00022 -0.00008 -0.00023 0.00024 -0.00001 -0.00001 -0.00006 0.00012 -0.00003 -0.00026 -0.00013 0.00013 -0.00013 0.00011 0.00030 0.00005 -0.00013 -0.00010 0.00006 0.00013 0.00017 -0.00006 0.00017 -0.00006 0.00006 -0.00007 0.00001 -0.00002 0.00001 -0.00025 -0.00024 0.00000 0.00001 -0.00014 -0.00013 -0.00009 -0.00010 -0.00028 -0.00029 -0.00015 -0.00016 0.00007 0.00004 0.00023 -0.00017 -0.00020 -0.00000 -0.00008 -0.00012 0.00008 0.00011 -0.00002 0.00016 0.00003 0.00008 -0.00005 0.00021 0.00046 0.00023 0.00017 0.00042 0.00019 -0.00017 0.00001 -0.00008 -0.00037 -0.00020 -0.00029 0.00033 0.00002 0.00009 0.00021 -0.00010 -0.00003 0.00002 0.00002 -0.00014 0.00007 0.00007 -0.00009 0.00018 0.00018 0.00005 0.00006 -0.00043 -0.00032 -0.00024 -0.00013 -0.00003 0.00001 -0.00004 -0.00013 -0.00008 -0.00014 -0.00026 -0.00025 -0.00032 -0.00031 -0.00001 -0.00020 0.00012 0.00022 0.00013 0.00012 0.00022 0.00013 0.00035 0.00013 0.00031 0.00016 0.00016 -0.00001 -0.00001 0.00011 0.00011 -0.00000 0.00009 0.00010 -0.00023 -0.00014 -0.00013 0.00012 0.00021 0.00022 -0.00026 0.00007 -0.00006 -0.00027 0.00006 -0.00007 -0.00008 -0.00002 -0.00007 -0.00002 0.00004 -0.00001 0.00006 0.00003 -0.00014 0.00008 0.00004 -0.00012 0.00036 0.00022 0.00015 0.00041 0.00027 0.00019 0.00032 0.00024 0.00027 -0.00019 -0.00019 -0.00017 -0.00040 -0.00054 -0.00031 0.00029 0.00016 0.00025 0.00006 0.00010 0.00000 -0.00001 0.00001 -0.00018 0.00000 0.00001 0.00002 -0.00000 0.00023 -0.00016 -0.00001 0.00001 0.00012 0.00002 0.00005 -0.00009 0.00001 0.00002 -0.00011 -0.00000 -0.00007 0.00000 0.00001 -0.00000 0.00002 -0.00024 -0.00000 -0.00002 -0.00006 0.00030 -0.00000 -0.00001 0.00002 0.00000 0.00000 0.00005 -0.00001 -0.00002 0.00001 0.00011 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00008 0.00007 0.00002 -0.00006 -0.00002 -0.00003 -0.00005 -0.00013 -0.00003 -0.00000 0.00002 -0.00000 0.00001 0.00010 -0.00008 -0.00001 -0.00008 0.00003 0.00004 -0.00002 -0.00011 0.00004 0.00005 0.00003 0.00003 0.00001 -0.00015 -0.00007 -0.00010 -0.00001 0.00001 0.00006 -0.00005 0.00001 -0.00004 0.00003 0.00009 -0.00003 0.00001 -0.00003 -0.00008 -0.00000 -0.00003 0.00002 0.00003 -0.00001 -0.00002 0.00004 -0.00008 0.00004 -0.00005 0.00003 -0.00001 -0.00013 0.00013 -0.00012 0.00007 0.00003 -0.00000 -0.00021 0.00005 -0.00002 0.00002 -0.00003 0.00000 0.00009 -0.00007 0.00001 -0.00007 -0.00016 0.00010 -0.00003 0.00005 -0.00007 0.00005 0.00016 -0.00002 -0.00007 0.00001 -0.00000 0.00026 0.00001 0.00010 -0.00000 -0.00001 0.00006 -0.00011 0.00012 -0.00011 -0.00006 0.00021 -0.00002 -0.00023 -0.00026 -0.00008 -0.00016 0.00003 0.00014 -0.00014 -0.00003 -0.00008 0.00008 -0.00003 -0.00002 0.00003 0.00010 -0.00001 0.00023 0.00014 0.00009 0.00000 0.00035 0.00026 0.00007 0.00005 0.00018 0.00017 0.00005 0.00004 -0.00009 -0.00003 -0.00001 -0.00009 -0.00003 -0.00001 -0.00010 -0.00005 -0.00002 0.00010 0.00013 -0.00006 -0.00003 0.00018 0.00021 -0.00022 -0.00007 -0.00013 -0.00026 -0.00010 -0.00017 -0.00017 -0.00013 -0.00015 0.00004 0.00008 0.00006 -0.00015 -0.00018 -0.00015 -0.00015 -0.00018 -0.00015 0.00003 0.00006 0.00004 0.00003 0.00005 0.00003 -0.00016 -0.00026 -0.00009 -0.00019 0.00002 0.00003 0.00011 0.00011 -0.00003 -0.00014 -0.00016 0.00009 -0.00003 -0.00004 -0.00001 -0.00000 0.00001 0.00002 -0.00022 -0.00014 0.00009 0.00011 0.00015 0.00008 0.00010 0.00014 0.00017 0.00012 0.00006 -0.00009 0.00004 -0.00009 0.00004 0.00003 0.00016 0.00003 0.00009 0.00010 -0.00002 0.00004 0.00006 0.00001 0.00006 0.00008 -0.00005 -0.00014 0.00000 -0.00000 -0.00009 0.00005 0.00017 0.00017 0.00021 -0.00002 -0.00002 0.00003 0.00011 0.00013 0.00015 0.00011 0.00013 0.00014 0.00019 0.00008 -0.00001 0.00009 -0.00002 -0.00011 0.00009 0.00010 -0.00002 -0.00019 -0.00012 -0.00023 -0.00015 -0.00008 -0.00003 0.00016 0.00012 0.00015 -0.00013 0.00025 -0.00002 -0.00004 0.00001 -0.00026 -0.00001 0.00006 0.00003 0.00001 0.00045 -0.00015 -0.00003 -0.00001 0.00019 0.00047 0.00012 0.00013 0.00002 0.00021 -0.00024 -0.00001 0.00017 0.00008 0.00004 0.00000 0.00016 -0.00042 0.00002 -0.00001 -0.00025 0.00021 0.00002 -0.00003 -0.00010 0.00002 0.00002 -0.00016 -0.00002 0.00000 0.00001 0.00043 0.00000 -0.00001 -0.00002 0.00000 0.00003 -0.00000 -0.00002 -0.00000 -0.00000 0.00000 -0.00011 0.00022 0.00003 -0.00025 0.00015 0.00003 -0.00002 0.00001 -0.00009 -0.00002 -0.00009 0.00012 0.00003 0.00004 -0.00020 -0.00002 0.00012 -0.00003 0.00006 -0.00018 -0.00013 -0.00005 0.00001 0.00013 0.00029 0.00000 -0.00009 -0.00007 -0.00011 -0.00001 0.00001 0.00009 -0.00012 -0.00008 -0.00007 -0.00005 0.00025 0.00001 -0.00021 0.00009 -0.00011 0.00016 -0.00001 -0.00005 0.00012 -0.00025 -0.00005 0.00004 0.00006 0.00010 -0.00027 0.00003 -0.00001 0.00014 0.00018 -0.00037 0.00015 -0.00015 0.00007 -0.00022 0.00014 -0.00001 0.00015 0.00003 -0.00007 -0.00000 -0.00011 0.00002 -0.00015 -0.00026 -0.00012 0.00002 0.00015 0.00022 -0.00009 0.00009 -0.00017 -0.00001 0.00023 -0.00008 0.00003 0.00025 0.00009 -0.00001 -0.00007 0.00018 -0.00013 -0.00014 -0.00024 0.00007 0.00008 0.00009 0.00007 -0.00021 -0.00021 -0.00026 0.00010 0.00027 0.00002 -0.00009 0.00010 0.00001 0.00003 -0.00009 0.00004 0.00007 0.00001 -0.00002 -0.00010 0.00010 0.00002 0.00021 0.00013 -0.00002 -0.00005 -0.00009 -0.00012 -0.00009 -0.00012 -0.00002 0.00001 0.00023 -0.00025 -0.00023 -0.00001 -0.00019 -0.00016 0.00006 0.00020 0.00011 0.00010 0.00000 0.00026 0.00016 -0.00001 0.00040 0.00011 -0.00009 0.00031 0.00002 -0.00034 -0.00012 -0.00024 -0.00033 -0.00012 -0.00023 0.00018 -0.00015 -0.00005 0.00006 -0.00028 -0.00018 0.00005 0.00008 -0.00010 0.00009 0.00012 -0.00006 0.00002 -0.00008 -0.00004 -0.00013 -0.00041 -0.00029 -0.00014 -0.00002 -0.00006 -0.00013 -0.00020 -0.00004 -0.00011 -0.00018 -0.00027 -0.00025 -0.00030 -0.00029 -0.00023 -0.00034 0.00021 0.00032 0.00028 0.00020 0.00031 0.00027 0.00051 0.00025 0.00037 0.00008 0.00021 -0.00010 0.00003 0.00014 0.00027 0.00003 0.00018 0.00020 -0.00025 -0.00010 -0.00007 0.00012 0.00027 0.00030 -0.00032 -0.00006 -0.00006 -0.00028 -0.00002 -0.00002 0.00008 0.00014 0.00014 -0.00003 0.00002 0.00002 0.00018 0.00016 0.00001 0.00019 0.00017 0.00002 0.00055 0.00030 0.00014 0.00050 0.00025 0.00009 0.00041 0.00033 0.00025 -0.00038 -0.00031 -0.00040 -0.00054 -0.00061 -0.00035 0.00045 0.00028 0.00040 3.32270 3.28964 1.85801 1.86393 1.85479 3.42045 1.85093 3.51826 1.84989 1.85390 3.32979 3.42009 1.85023 1.85606 3.29137 3.48333 3.42492 3.39821 1.84803 3.41292 3.51560 1.84868 3.31957 3.50585 1.85765 1.82354 3.43605 3.36535 1.84964 1.85070 3.28079 3.47859 1.86152 1.85206 3.36466 1.82592 1.85259 3.38480 1.85180 1.86247 3.38763 3.42335 1.82429 1.86920 1.87018 1.82298 1.87094 1.82317 1.86112 1.82335 1.85627 1.82404 1.77677 1.72536 1.76045 2.18743 2.05487 1.86680 1.82626 1.95294 1.72385 1.83275 1.70773 1.86696 1.83961 1.58634 1.69667 1.81501 1.80193 1.69959 2.89905 2.06839 2.08679 1.59316 1.85896 1.76381 2.06365 1.80416 1.72739 1.84848 1.52877 1.77204 1.84770 1.78140 1.81250 1.82660 1.81865 1.86635 1.66734 1.84974 2.45356 1.74885 2.92747 1.95824 2.02150 1.72141 1.99211 1.89383 1.84797 1.53587 1.75838 2.22515 1.82295 2.18758 1.86332 1.45065 1.76267 2.11520 2.04197 2.16694 1.86710 1.73418 1.93031 1.83795 1.92744 1.75033 2.05828 1.72215 2.08380 1.85016 2.82085 3.03545 2.94571 3.15243 3.09067 3.16415 3.10388 3.03468 2.91370 2.94622 3.23757 3.16532 3.08557 3.28185 3.03278 3.02612 2.99993 3.02151 3.03168 3.02199 2.99177 3.07419 3.08125 2.96992 3.05290 3.20257 3.24443 3.00717 3.21538 3.07239 3.25087 3.18221 3.11301 3.23959 3.31047 3.25947 3.04484 3.26749 3.02706 -0.85314 1.03816 -2.71246 -0.82116 0.94113 2.83242 1.84693 0.00606 -2.54686 1.89546 0.06221 -1.77865 2.39258 0.43584 -2.19272 -1.63959 2.68686 0.05830 0.25543 -1.70131 1.95331 -0.88436 -2.87003 -2.77600 1.52152 0.98730 -0.99837 -2.71217 1.23055 -0.91893 -0.88331 3.05941 0.90992 2.35922 -1.57302 0.49248 0.36051 2.71145 -1.50623 0.22059 -2.15643 2.18418 -1.66609 2.24009 0.29751 -0.31112 1.23878 -2.66113 -2.17872 -0.62882 1.75445 -0.65916 1.26339 1.12519 3.04774 1.68498 -0.19756 0.01357 -1.86897 0.07382 -1.71021 2.59856 1.66888 -0.11514 -2.08956 -0.49428 -2.32586 1.23185 -0.59973 1.29754 -0.54700 -2.04467 -0.03807 2.15260 -0.20278 1.80382 -2.28870 -0.95015 0.87071 2.98315 1.05079 -0.55692 3.13468 1.52697 -1.15074 -2.75844 -0.28031 1.75001 -2.48596 2.22300 -2.02986 0.01735 -1.90104 0.12928 2.17649 -0.00214 1.47403 -2.21475 -1.84367 -0.36750 2.22691 -1.67828 0.11536 2.08243 0.08361 1.87725 -2.43887 0.36932 -1.58515 2.89973 2.12625 0.17179 -1.62653 1.99140 0.27230 -2.14441 0.14603 -1.57307 2.29341 -0.85796 1.10805 -2.91174 0.99315 3.09442 -0.89785 0.64803 -1.10750 3.02524 0.84717 -1.12059 2.99711 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000004 0.000894 0.000217 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.795432e-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 R49 R50 R51 R52 1 1 1 1 2 2 3 3 4 4 4 5 6 6 6 7 8 9 10 10 11 12 12 13 14 14 14 15 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 38 38 41 41 28 39 43 45 10 23 12 20 5 8 45 14 7 9 33 29 29 38 11 43 41 13 31 32 15 16 22 35 18 19 36 41 21 22 26 24 25 35 27 28 42 32 30 31 33 34 36 37 39 40 42 44 1.7584 1.7407 0.9832 0.9864 0.9815 1.8102 0.9795 1.8617 0.9789 0.981 1.7618 1.8099 0.9791 0.9822 1.7416 1.8431 1.8123 1.7982 0.9779 1.8059 1.8605 0.9783 1.7566 1.8552 0.983 0.965 1.8182 1.7811 0.9788 0.9793 1.7362 1.8407 0.9851 0.9801 1.7806 0.9662 0.9803 1.7912 0.9799 0.9856 1.7927 1.8113 0.9654 0.9891 0.9897 0.9647 0.99 0.9648 0.9849 0.9649 0.9823 0.9652 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 28 28 28 39 39 43 5 5 8 7 7 9 2 2 11 3 3 13 12 5 5 5 15 15 16 18 18 19 3 3 21 2 2 24 21 21 21 27 27 28 26 7 7 7 8 8 30 13 13 13 27 27 33 15 15 15 25 25 36 9 9 39 11 11 11 19 19 42 26 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 12 12 12 13 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 27 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 41 41 41 41 41 42 39 43 45 43 45 45 8 45 45 9 33 33 11 43 43 13 31 31 32 15 16 22 16 22 22 19 36 36 21 22 22 24 25 25 27 28 42 28 42 42 32 8 30 31 30 31 31 27 33 34 33 34 34 25 36 37 36 37 37 39 40 40 19 42 44 42 44 44 41 101.8076 98.8431 100.8648 125.3447 117.7266 106.9582 104.638 111.8944 98.7747 105.0103 97.8508 106.9622 105.4001 90.8884 97.2239 103.9935 103.2362 97.3814 166.1002 118.52 119.5719 91.2841 106.5102 101.0515 118.2214 103.3704 98.9775 105.9141 87.5986 101.5312 105.8647 102.0615 103.8552 104.6606 104.2049 106.9365 95.5171 105.9816 140.5906 100.1967 167.7383 112.1899 115.8238 98.6327 114.1322 108.5224 105.8838 87.9965 100.744 127.4863 104.4627 125.3374 106.761 83.1084 100.9837 121.2131 116.9876 124.1652 106.9731 99.3736 110.5902 105.3076 110.4252 100.2843 117.9344 98.672 119.3993 106.0054 161.6311 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 A99 A100 A101 A102 A103 A104 A105 A106 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 1 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 45 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 4 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 3 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 -1 -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 -2 173.933 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 168.7835 180.6202 177.0739 181.2796 177.8444 173.8693 166.9529 168.8064 185.4858 181.3643 176.7885 188.0218 173.7606 173.3847 171.8875 173.109 173.7099 173.1553 171.4295 176.1339 176.5383 170.1587 174.914 183.5058 185.9044 172.3126 184.2223 176.0195 186.2596 182.3324 178.3571 185.6139 189.6741 186.7589 174.4541 187.2093 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 28 28 39 39 43 43 28 28 39 39 45 45 39 39 39 43 43 43 45 45 45 28 28 43 43 45 45 8 8 8 45 45 45 5 5 5 45 45 45 9 9 9 33 33 33 7 7 7 9 9 9 7 7 33 33 11 11 43 43 2 2 2 43 43 43 13 13 31 31 3 31 3 3 3 13 13 13 12 12 12 5 5 15 15 16 16 5 5 5 16 16 16 22 22 22 18 18 18 19 19 19 18 18 18 36 36 36 3 3 3 22 22 22 2 2 2 24 24 24 21 28 42 21 27 28 26 26 26 11 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 27 27 27 41 41 4 4 4 4 4 4 10 10 10 10 10 10 26 26 26 26 26 26 26 26 26 38 38 38 38 38 38 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 23 23 23 23 41 41 41 41 41 41 20 20 20 20 13 13 29 29 29 29 29 29 32 32 32 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 41 41 26 26 26 26 26 26 35 35 35 35 35 35 27 27 27 42 42 42 32 32 32 42 42 5 8 5 8 5 8 2 11 2 11 2 11 21 27 42 21 27 42 21 27 42 9 40 9 40 9 40 15 16 22 15 16 22 7 30 31 7 30 31 8 30 31 8 30 31 13 27 34 13 27 34 39 40 39 40 24 25 24 25 19 42 44 19 42 44 21 22 21 22 32 32 7 8 30 7 8 30 27 33 34 3 21 3 21 3 21 25 36 37 25 36 37 25 36 37 15 25 37 15 25 37 11 42 44 11 42 44 27 28 42 27 28 42 15 36 37 15 36 37 32 32 32 41 41 41 13 33 34 26 26 -48.8799 59.4878 -155.418 -47.0502 53.9106 162.2784 105.8225 0.3503 -145.9191 108.6088 3.5697 -101.9025 137.0857 24.9716 -125.6466 -93.927 153.9589 3.3407 14.6456 -97.4685 111.9133 -50.682 -164.4467 -159.0587 87.1766 56.5531 -57.2116 -155.3952 70.483 -52.6571 -50.6047 175.2734 52.1334 135.1924 -90.1204 28.2308 20.6746 155.3618 -86.287 12.6282 -123.5453 125.1474 -95.4631 128.3633 17.0561 -17.8289 70.9723 -152.4662 -124.8369 -36.0357 100.5258 -37.7681 72.3917 64.4706 174.6304 96.5655 -11.3027 0.7853 -107.0829 4.233 -97.9804 148.898 95.6223 -6.591 -119.7127 -28.3049 -133.2475 70.5972 -34.3454 74.3566 -31.321 -117.163 -2.1997 123.319 -11.6301 103.3333 -131.148 -54.469 49.8739 170.9008 60.2012 -31.9211 179.6095 87.4873 -65.94 -158.0623 -16.062 100.2583 -142.4466 127.3826 -116.2971 0.9981 -108.9287 7.3916 124.6868 -0.1048 84.4592 -126.8922 -105.6187 -21.0548 127.5938 -96.1634 6.6013 119.3059 4.7923 107.557 -139.7384 21.1502 -90.8314 166.1417 121.8144 9.8328 -93.1941 114.0669 15.584 -122.8739 8.3384 -90.1445 131.3976 -49.1812 63.4673 -166.8447 56.9251 177.3148 -51.4199 37.1605 -63.4201 173.3532 48.5132 -64.2211 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0492401872 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3464,-1.2767,-1.4094;-2.2965,-2.5264,-.7618;1.2136,2.4528,1.3522;-.7263,1.0688,-2.1756;-1.2929,1.3612,-1.4364;3.8068,.5428,-1.7338;3.105,1.2108,-1.8462;.0976,1.5841,-2.063;3.4252,-.2817,-2.1072;-1.5006,-3.0764,-.5981;-1.3155,-2.9708,.351;2.03,2.7949,.9384;2.6651,2.0638,1.0476;-2.1608,1.9287,.0363;-2.8458,1.322,.4015;-2.5613,2.8038,.0265;-2.1631,-.3541,3.1815;-1.5235,.3434,2.9575;-1.715,-1.1754,2.8968;-.2289,1.4805,1.9757;.2075,.6591,1.6534;-.8853,1.7007,1.2843;-3.5929,-1.3863,-1.15;-3.11,-.7628,-1.7022;-3.7284,-.9033,-.3112;1.0732,-.7639,1.1246;2.0115,-.4829,1.1403;.8493,-.9031,.1727;1.6704,2.3885,-1.7044;1.8047,3.2283,-2.1551;1.7511,2.5903,-.739;3.5435,.4055,.9188;3.7142,.4014,-.0582;4.3804,.1873,1.34;-3.8221,.113,1.1482;-3.2687,-.1011,1.944;-4.6646,.4377,1.4822;2.6376,-1.7181,-2.7531;1.7686,-1.6144,-2.3042;2.4655,-1.4903,-3.6723;-.7555,-2.5093,2.1174;.0237,-1.9716,1.8613;-.3399,-1.958,-1.2083;-.4152,-3.2046,2.6891;-.1235,-.4601,-1.7099; 0.000000 2.994330 0.000000 4.721033 6.448426 0.000000 2.690626 4.170174 4.257194 0.000000 3.105903 4.071304 3.905132 0.976223 0.000000 3.923022 6.900339 4.460523 4.584850 5.173517 0.000000 3.740106 6.657232 3.917881 3.848069 4.419552 0.975367 0.000000 2.945112 4.931644 3.696376 0.978221 1.541329 3.866709 3.038320 0.000000 3.310023 6.291834 4.933183 4.366187 5.040809 0.982204 1.548539 3.815320 0.000000 2.703405 0.981148 6.460854 4.502324 4.520793 6.523533 6.414758 5.140067 5.861039 0.000000 2.954773 1.548558 6.067446 4.800965 4.686223 6.552016 6.469438 5.345177 5.979008 0.972748 0.000000 4.992441 7.065729 0.977070 4.502559 4.328554 3.920403 3.379199 3.769372 4.548348 7.021189 6.691732 0.000000 4.751075 6.997261 1.533333 4.783356 4.725422 3.369410 3.048768 4.061757 4.003971 6.817877 6.455824 0.974533 0.000000 4.318741 4.528088 3.659638 2.773081 1.801165 6.377070 5.638155 3.102579 6.378469 5.088167 4.981823 4.373432 4.932644 0.000000 4.496964 4.057691 4.319839 3.346305 2.406370 7.030170 6.362113 3.847771 6.941955 4.706805 4.557598 5.121574 5.598021 0.985210 0.000000 5.212284 5.394735 4.016268 3.350646 2.414561 6.983120 6.176756 3.594855 7.064828 6.007681 5.916367 4.680973 5.376418 0.962446 1.554843 0.000000 5.312756 4.504010 4.756802 5.726064 5.002396 7.784838 7.448442 6.030879 7.694479 4.704796 3.946771 5.703419 5.806177 3.886330 3.317189 4.481668 0.000000 5.019092 4.760878 3.810311 5.245020 4.516036 7.103519 6.726880 5.419578 7.108593 4.933311 4.221448 4.765874 4.914525 3.384148 3.039538 3.965000 0.972484 0.000000 4.775270 3.943120 4.911902 5.634121 5.038685 7.408431 7.170948 5.958138 7.229193 3.984206 3.140684 5.798554 5.753106 4.244592 3.706986 4.978860 0.977916 1.532043 0.000000 4.403649 5.274818 1.847964 4.201203 3.576091 5.561125 5.078815 4.053136 5.755672 5.385772 4.861449 2.811752 3.094676 2.773924 3.058001 3.315262 2.925874 1.983157 3.179735 0.000000 3.625974 4.717050 2.078570 3.962493 3.505842 4.943817 4.576791 3.831348 5.037955 4.684097 4.146274 2.897243 2.894856 3.136284 3.365918 3.861788 2.996891 2.190159 2.933866 0.984369 0.000000 4.199802 4.903689 2.230625 3.520701 2.771865 5.697847 5.095360 3.490492 5.832054 5.171308 4.783153 3.132998 3.576811 1.798999 2.183149 2.368101 3.074794 2.247018 3.400081 0.978505 1.554208 0.000000 3.949404 1.769586 6.640947 3.911170 3.594525 7.669302 7.217486 4.824581 7.168767 2.745696 3.154410 7.311649 7.476357 3.800972 3.209339 4.472747 4.676716 4.913784 4.466223 5.413403 5.146467 4.773494 0.000000 3.506693 2.157908 6.193770 3.043249 2.807814 7.039049 6.522483 3.990851 6.565469 3.026854 3.508694 6.785938 6.993090 3.341771 2.973431 4.001272 4.991373 5.045051 4.823513 5.182640 4.928267 4.465074 0.962709 0.000000 4.236727 2.210855 6.201158 4.047013 3.510794 7.803505 7.315858 4.888170 7.401829 3.125323 3.245787 6.956824 7.178314 3.255560 2.497799 3.901208 3.866690 4.135253 3.797248 4.812429 4.668286 4.172529 0.977284 1.528656 0.000000 2.685648 4.244950 3.227809 4.181929 4.083235 4.165405 4.105294 4.077473 4.026129 3.865212 3.342830 3.689805 3.245962 4.346659 4.497970 5.209992 3.856399 3.365740 3.329254 2.730687 1.747491 3.152028 5.228178 5.048759 5.013645 0.000000 3.147003 5.133427 3.049660 4.571502 4.578084 3.540558 3.603270 4.265773 3.547621 4.699220 4.228575 3.284064 2.630974 4.944018 5.234159 5.740559 4.648653 4.059721 4.177521 3.093877 2.195848 3.630496 6.121345 5.864107 5.935515 0.979587 0.000000 1.701654 3.661203 3.575812 3.447585 3.507897 3.804190 3.692234 3.427813 3.495643 3.292317 2.998881 3.956678 3.586846 4.135131 4.319404 5.039411 4.292895 3.865145 3.751103 3.177246 2.246102 3.320335 4.660121 4.383083 4.603287 0.987772 1.569514 0.000000 3.908162 6.385981 3.091171 2.776245 3.147753 2.823432 1.861533 1.802602 3.220455 6.414335 6.470041 2.697914 2.944160 4.233185 5.095876 4.590842 6.788896 6.009682 6.732983 4.239653 4.050383 3.992092 6.500676 5.725648 6.474896 4.277544 4.056309 3.877151 0.000000 4.793508 7.202579 3.640240 3.327048 3.687485 3.376117 2.420089 2.371900 3.866300 7.286812 7.378601 3.131796 3.514703 4.713408 5.638841 4.899081 7.553496 6.748128 7.569794 4.924757 4.863757 4.625853 7.172056 6.347287 7.147384 5.218132 4.967442 4.837334 0.962509 0.000000 4.168514 6.524114 2.163494 3.242865 3.356057 3.067213 2.227568 2.345105 3.594824 6.534868 6.443381 1.712655 2.074668 4.042552 4.903131 4.385044 6.273786 5.425439 6.277997 3.538566 3.440305 3.440301 6.673891 5.983444 6.512588 3.896538 3.611672 3.721331 0.989575 1.554102 0.000000 4.297933 6.747302 3.131730 5.314750 5.463600 2.669179 2.913066 4.706884 3.105366 6.314100 5.944032 2.828417 1.880974 5.969801 6.475354 6.619429 6.185594 5.462115 5.836425 4.062410 3.425277 4.628755 7.643253 7.245971 7.490479 2.740877 1.784807 3.086722 3.784421 4.521102 3.276284 0.000000 3.997995 6.722756 3.528580 4.964556 5.281257 1.684045 2.054982 4.300946 2.179094 6.291320 6.069327 3.091700 2.255461 6.071089 6.640200 6.720212 6.753452 6.044158 6.379278 4.566092 3.910621 4.964499 7.601460 7.115354 7.560387 3.119641 2.262263 3.156366 3.291739 4.004312 3.018013 0.991880 0.000000 5.096617 7.507451 3.893782 6.262154 6.424347 3.146972 3.581306 5.645699 3.607707 6.999542 6.587415 3.533431 2.559120 6.893465 7.374650 7.533839 6.819151 6.123459 6.436966 4.829244 4.211104 5.479147 8.499984 8.140241 8.346785 3.447992 2.469965 3.875536 4.632229 5.300715 4.124262 0.961966 1.563538 0.000000 5.084238 3.597509 5.556509 4.641700 3.825522 8.166453 7.626060 5.276303 7.954726 4.314071 4.053199 6.440755 6.774986 2.700531 1.724046 3.176219 2.665555 2.934305 3.026130 3.932711 4.097768 3.341281 2.753523 3.065678 1.780900 4.973277 5.863983 4.879219 6.594136 7.230280 6.384296 7.375003 7.637745 8.205085 0.000000 5.069169 3.761439 5.192653 4.980355 4.179582 8.000195 7.530657 5.497945 7.826464 4.294247 3.819342 6.121566 6.379715 2.997822 2.140893 3.551925 1.678608 2.066434 2.115545 3.426779 3.570208 3.059779 3.365945 3.709106 2.437437 4.467905 5.354601 4.553988 6.625964 7.322988 6.296064 6.907484 7.281639 7.678273 0.992758 0.000000 6.034139 4.407856 6.215344 5.411864 4.554019 9.061895 8.487799 6.046523 8.879559 5.165949 4.910545 7.118210 7.520500 3.253079 2.293028 3.484484 3.126022 3.471496 3.647282 4.583268 4.880142 3.989638 3.376937 3.741375 2.427170 5.873098 6.747901 5.823735 7.354723 7.928952 7.122396 8.227445 8.519300 9.049529 0.962653 1.565923 0.000000 2.692549 5.381816 6.023098 4.406412 5.163794 2.741807 3.101488 4.222936 1.760925 4.859384 5.179899 5.861995 5.361781 6.641191 7.018610 7.429873 7.754110 7.360382 7.152682 6.388177 5.565379 6.356062 6.442040 5.920534 6.866813 4.288902 4.132302 3.524515 4.347339 5.051573 4.837840 4.337440 3.593534 4.839507 7.765378 7.717611 8.712472 0.000000 1.713835 4.442485 5.497220 3.666171 4.356602 3.022085 3.158697 3.616815 2.135284 3.966831 4.289668 5.479430 5.056424 5.785523 6.102077 6.610685 6.865792 6.508155 6.275222 5.646716 4.823716 5.559697 5.489111 4.988873 5.890238 3.600534 3.633674 2.736030 4.048760 4.845125 4.486594 4.197413 3.590702 4.831917 6.794043 6.761015 7.741682 0.983589 0.000000 3.107507 5.676348 6.508504 4.356180 5.220671 3.112926 3.322545 4.201070 2.198042 5.262713 5.716156 6.309552 5.911741 6.844418 7.260413 7.575546 8.347987 7.951623 7.792856 6.927087 6.171002 6.780684 6.563316 5.957931 7.071467 5.047463 4.937810 4.211965 4.421472 5.000338 5.075973 5.082805 4.266068 5.621769 8.083397 8.145741 9.006859 0.962595 1.540393 0.000000 3.895094 3.265679 5.393066 5.588707 5.281880 6.705270 6.667229 5.912610 6.347275 2.872438 1.909659 6.105918 5.810187 5.099195 4.689563 5.988499 2.785383 3.071383 1.818627 4.026820 3.343804 4.293570 4.470816 4.814891 4.161241 2.715847 3.566036 2.989462 6.669233 7.597870 6.359803 5.330444 5.760491 5.852554 4.149732 3.485022 4.936504 5.988350 5.169337 6.703246 0.000000 3.359245 3.545618 4.609829 5.109123 4.869807 5.792958 5.776443 5.296060 5.493221 3.097208 2.252267 5.253161 4.891216 4.828567 4.605663 5.731781 3.023416 2.992434 2.174694 3.463155 2.645252 3.826857 4.742391 4.896881 4.465359 1.761422 2.585956 2.162083 5.868197 6.807461 5.527738 4.350629 4.789108 4.890102 4.432198 3.787478 5.284688 5.309345 4.530280 6.067511 0.980694 0.000000 0.987760 2.085792 5.331530 3.201075 3.460810 4.870881 4.723968 3.669983 4.218382 1.723429 2.099706 5.728405 5.504070 4.468967 4.430462 5.397657 5.016658 4.904200 4.399447 4.687580 3.916435 4.460574 3.303383 3.057116 3.660477 2.977504 3.636062 2.105788 4.814519 5.691526 5.027906 5.019188 4.829666 5.777324 4.686996 4.686443 5.628577 3.362982 2.401026 3.763022 3.396602 3.091091 0.000000 4.592899 3.988419 6.037183 6.482650 6.215807 7.171493 7.242700 6.765895 6.804236 3.464126 2.516310 6.711026 6.319829 6.036220 5.624127 6.913545 3.379796 3.726815 2.418785 4.742780 4.048316 5.124153 5.304975 5.701544 5.027462 3.258863 3.961729 3.637071 7.411846 8.353224 7.072893 5.642582 6.132174 6.026851 4.998838 4.281248 5.725382 6.414563 5.677206 7.190610 0.962363 1.548665 4.092607 0.000000 0.988940 3.144858 4.432807 1.708195 2.181602 4.056358 3.637883 2.086287 3.575408 3.158659 3.459962 4.716588 4.663789 3.592578 3.878719 4.428481 5.300660 4.938639 4.926067 4.166629 3.560105 3.770248 3.634273 3.001799 3.892043 3.091791 3.561269 2.164957 3.366431 4.185760 3.709736 4.594238 4.266002 5.477818 4.709219 4.834462 5.622884 3.208537 2.294712 3.408085 4.387105 3.880684 1.594402 5.193144 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4737,1.8625,-.1212;2.4528,2.4886,-.0239;-1.2472,-2.7924,.0269;-.3148,.5368,-2.4572;.3768,-.1415,-2.3364;-4.1759,.5719,.015;-3.7341,.1368,-.7378;-1.153,.0467,-2.3382;-3.7531,1.4567,.0718;1.9137,2.7977,.7355;2.0343,2.1172,1.4201;-2.2115,-2.8178,-.1285;-2.5784,-2.33,.6312;1.5202,-1.4869,-1.9806;2.4123,-1.2276,-1.6525;1.6713,-2.1543,-2.6574;3.1158,-1.676,1.558;2.2901,-2.0934,1.2586;2.8107,-.8672,2.0153;.5096,-2.3934,.4385;.2026,-1.5608,.8646;.8258,-2.118,-.4456;3.2317,1.871,-1.4878;2.4578,1.7201,-2.0402;3.5171,.9724,-1.2305;-.4194,-.1393,1.6684;-1.3377,-.3885,1.9013;-.4976,.57,.9854;-2.6624,-.8389,-1.906;-3.1368,-1.2144,-2.6546;-2.4644,-1.6023,-1.3083;-3.0226,-.9758,1.8587;-3.5015,-.3646,1.2414;-3.5936,-1.0874,2.6248;3.8418,-.7314,-.8264;3.6527,-1.0746,.0857;4.6428,-1.1753,-1.1233;-2.9029,2.9978,.1239;-1.9863,2.6549,.0249;-3.1057,3.3993,-.7271;1.9984,.6396,2.6293;1.0732,.3639,2.4568;.3832,2.2826,.1336;2.0453,.8165,3.5741;-.3416,1.4242,-.9978; 0.3558381 0.2222235 0.2034724 -19.12976 -19.12962 -19.12931 -19.12639 -19.12418 -19.12413 -19.12000 -19.11965 -19.11617 -19.11428 -19.11294 -19.11290 -19.11222 -19.11192 -19.11192 -1.03274 -1.02691 -1.02395 -1.01936 -1.01783 -1.01632 -1.01404 -1.00938 -1.00687 -1.00261 -1.00109 -0.99840 -0.99286 -0.98904 -0.98371 -0.54922 -0.54690 -0.54082 -0.53547 -0.53481 -0.53386 -0.53235 -0.53128 -0.52860 -0.52618 -0.52442 -0.52366 -0.52258 -0.52104 -0.51896 -0.44241 -0.43891 -0.43065 -0.42763 -0.42070 -0.41077 -0.40511 -0.40478 -0.40192 -0.39628 -0.38773 -0.38238 -0.38032 -0.37803 -0.36565 -0.33244 -0.32967 -0.32765 -0.32636 -0.32529 -0.32373 -0.32227 -0.32030 -0.31916 -0.31816 -0.31802 -0.31567 -0.31374 -0.31204 -0.31173 -0.00124 0.02460 0.03689 0.04024 0.05786 0.05926 0.06673 0.07992 0.08760 0.09449 0.10065 0.10359 0.10975 0.11232 0.11295 0.12192 0.12542 0.13066 0.13497 0.13953 0.14591 0.14976 0.15332 0.15506 0.16011 0.17151 0.17466 0.17789 0.18008 0.18428 0.18699 0.19442 0.19485 0.19816 0.20023 0.21143 0.21372 0.21901 0.22209 0.22302 0.22961 0.23520 0.23789 0.24141 0.24301 0.25008 0.25075 0.25251 0.25876 0.26118 0.26358 0.26767 0.27122 0.27353 0.27685 0.28131 0.28349 0.28746 0.29043 0.29668 0.29777 0.29930 0.30038 0.30355 0.30554 0.31105 0.31278 0.31443 0.32169 0.32470 0.33347 0.34292 0.34542 0.37270 0.37682 0.39987 0.41282 0.42942 0.44025 0.45179 0.46431 0.47018 0.47681 0.47717 0.48285 0.48398 0.49549 0.49954 0.51546 0.52141 0.52789 0.53444 0.54533 0.55371 0.55610 0.56523 0.57006 0.57647 0.58324 0.58420 0.59487 0.60596 0.61376 0.61709 0.61996 0.62941 0.63604 0.64265 0.64905 0.65513 0.66205 0.67444 0.67948 0.68510 0.69599 0.70103 0.71217 0.71915 0.73011 0.73921 0.93314 0.94829 0.95526 0.95996 0.96987 0.98226 0.98504 0.98980 0.99647 0.99883 1.00765 1.00935 1.01643 1.02796 1.03128 1.03474 1.04582 1.04769 1.05072 1.05996 1.06364 1.06943 1.07572 1.07852 1.08588 1.09248 1.09304 1.09865 1.10268 1.11105 1.11824 1.11981 1.11981 1.12614 1.13405 1.13953 1.14590 1.15223 1.16133 1.17337 1.17842 1.18298 1.19255 1.19726 1.21252 1.23927 1.25431 1.26241 1.27262 1.27715 1.28538 1.29272 1.29720 1.30312 1.31409 1.31824 1.33264 1.33741 1.34060 1.34812 1.35183 1.36141 1.36544 1.37819 1.38332 1.39239 1.40132 1.40690 1.41291 1.41842 1.42167 1.42960 1.43905 1.45635 1.46706 1.47432 1.48139 1.48841 1.49374 1.50243 1.51289 1.52792 1.53689 1.54246 1.54806 1.55692 1.56582 1.56935 1.57321 1.58379 1.59395 1.59607 1.61366 1.61987 1.62115 1.63184 1.65817 1.66178 1.67997 1.68927 1.69761 1.70645 1.71254 1.71926 1.72369 1.72809 1.74042 1.75266 1.75493 1.76172 1.77877 1.78675 1.80015 1.80983 1.81637 1.82886 1.84429 1.85367 1.86633 1.90302 2.03292 2.03704 2.04284 2.04671 2.05517 2.06815 2.07152 2.21560 2.25005 2.25836 2.26661 2.27950 2.30519 2.30883 2.32509 2.33048 2.33821 2.34748 2.36366 2.37937 2.38424 2.40154 2.42206 2.42879 2.45853 2.46988 2.48174 2.50082 2.50376 2.53862 2.55545 2.58479 2.59321 2.60533 2.62459 2.65007 2.67049 2.70853 2.71170 2.71575 2.71916 2.73189 2.73982 2.74284 2.74818 2.75934 2.76544 2.77927 2.78982 2.80066 2.81175 2.82647 2.84009 2.84910 2.86081 2.86529 2.88086 2.88786 2.93388 2.94896 3.07353 3.07813 3.07874 3.08247 3.08973 3.09246 3.10079 3.10195 3.10775 3.11118 3.11651 3.12161 3.12960 3.13689 3.13834 3.14239 3.14555 3.15196 3.15658 3.15926 3.16632 3.16682 3.17415 3.17546 3.18928 3.20084 3.20812 3.21232 3.21770 3.23291 3.29526 3.30341 3.30951 3.31497 3.32558 3.33018 3.33506 3.33829 3.34747 3.35496 3.35891 3.36400 3.37911 3.38958 3.40158 3.67505 3.69072 3.70737 3.70941 3.71881 3.72521 3.73051 3.73589 3.74182 3.75583 3.75871 3.76905 3.79514 3.80642 3.83867 3.91511 3.92119 3.92321 3.93042 3.93468 3.94096 3.94510 3.95160 3.95490 3.95588 3.96692 3.96891 3.98579 3.99524 4.02462 5.00843 5.01873 5.02515 5.02987 5.03547 5.03835 5.04410 5.04783 5.06390 5.07381 5.07918 5.08350 5.14461 5.15906 5.19300 5.39065 5.40027 5.40160 5.42142 5.43006 5.44649 5.45529 5.46468 5.47454 5.49231 5.49966 5.50955 5.53040 5.54253 5.56086 5.65416 5.66260 5.66962 5.67487 5.68698 5.70004 5.70525 5.72364 5.72996 5.73733 5.76210 5.76376 5.76452 5.78547 5.79420 49.89024 49.89772 49.91032 49.91922 49.92441 49.93090 49.93431 49.93961 49.94645 49.94736 49.96127 49.96682 49.97201 49.98183 50.00850 1-A. 2.2225 -5.0841 -2.6299 6.1403 -108.2888 -132.8404 -79.8604 -11.5096 -4.9627 10.1081 -1.2923 -25.8438 27.1361 -11.5096 -4.9627 10.1081 75.7831 -16.4817 47.1525 -13.7193 -77.3779 -43.6919 -21.9118 -31.0202 -58.7644 63.2775 -4079.7942 -2391.0011 -1153.7044 -113.1864 -135.9631 -232.6568 -35.6089 28.2573 160.6649 -1147.7120 -665.0916 -527.1804 92.7252 1.9644 47.6940 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7988,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; 0.000000 2.954911 0.000000 4.800142 6.338237 0.000000 2.739918 4.087815 4.160864 0.000000 3.245500 4.043474 3.833121 0.978904 0.000000 3.994872 6.909534 4.490582 4.612913 5.237176 0.000000 3.795648 6.625800 3.932043 3.855236 4.456715 0.979113 0.000000 2.996959 4.853047 3.609044 0.981036 1.551148 3.877636 3.033875 0.000000 3.373507 6.322865 4.958675 4.425348 5.138451 0.982194 1.556118 3.854521 0.000000 2.780448 0.981506 6.466027 4.548172 4.614454 6.671675 6.525338 5.193715 6.024652 0.000000 3.013857 1.558680 6.028285 4.790240 4.730709 6.651232 6.528881 5.340363 6.092134 0.977927 0.000000 5.087434 6.982060 0.979476 4.454286 4.299818 3.953431 3.409455 3.725703 4.578397 7.058260 6.676171 0.000000 4.831494 6.911113 1.542666 4.734887 4.706538 3.409901 3.085380 4.016212 4.030220 6.850913 6.435903 0.978282 0.000000 4.575773 4.570393 3.752275 2.787628 1.809913 6.556273 5.781463 3.153516 6.582251 5.242193 5.121716 4.484566 5.066132 0.000000 4.793898 4.165200 4.418655 3.377180 2.437428 7.241403 6.528399 3.909067 7.181922 4.906391 4.758353 5.236672 5.743034 0.983005 0.000000 5.453711 5.468264 4.103987 3.374285 2.435330 7.118573 6.280158 3.637879 7.228914 6.178361 6.073042 4.774855 5.488993 0.964975 1.560967 0.000000 5.329963 4.367694 4.687423 5.547701 4.862470 7.791633 7.413699 5.879504 7.703542 4.598935 3.844994 5.637702 5.747849 3.888097 3.368788 4.541866 0.000000 5.002547 4.581671 3.724679 5.010982 4.317558 7.074274 6.655087 5.214584 7.077899 4.814480 4.102711 4.683235 4.842959 3.354463 3.062332 3.993242 0.978776 0.000000 4.802863 3.824584 4.863464 5.493559 4.948493 7.441625 7.163198 5.841408 7.262407 3.884127 3.039708 5.754383 5.711669 4.312107 3.835456 5.089053 0.979350 1.536378 0.000000 4.426468 5.089479 1.861749 3.999009 3.399677 5.587409 5.069413 3.884146 5.771255 5.305098 4.760510 2.827613 3.121927 2.794308 3.101406 3.367478 2.853746 1.895158 3.127651 0.000000 3.631031 4.545767 2.069486 3.755857 3.350983 4.953530 4.545776 3.648276 5.035902 4.619933 4.064599 2.889461 2.898341 3.214426 3.485201 3.950332 2.967810 2.142293 2.919743 0.985062 0.000000 4.260670 4.756668 2.270723 3.331005 2.594053 5.738964 5.101032 3.340756 5.871607 5.136441 4.735524 3.174491 3.627321 1.818196 2.226512 2.428243 3.034847 2.183644 3.389152 0.980084 1.568041 0.000000 3.713608 1.810164 6.308265 3.485752 3.227890 7.387790 6.879667 4.415625 6.924711 2.781079 3.211241 6.984629 7.160078 3.558224 3.084720 4.295651 4.574388 4.692785 4.406110 5.058989 4.811347 4.417133 0.000000 3.187077 2.222888 5.728772 2.547349 2.379425 6.628032 6.062673 3.498579 6.203441 3.075122 3.510084 6.326301 6.532575 3.082396 2.871430 3.823315 4.793222 4.712148 4.658490 4.704122 4.449356 4.002320 0.966221 0.000000 4.158889 2.255585 5.972862 3.731602 3.224530 7.661806 7.117043 4.594299 7.295821 3.186970 3.340437 6.740273 6.980460 3.041625 2.369640 3.758317 3.813882 3.979165 3.798635 4.546160 4.442669 3.895837 0.980337 1.540816 0.000000 2.737503 4.211327 3.208259 4.110824 4.095592 4.154400 4.068672 3.998097 4.008774 3.921443 3.375647 3.654748 3.190250 4.568861 4.779897 5.416211 3.905476 3.387374 3.391825 2.761195 1.780558 3.230936 5.063231 4.729488 4.976336 0.000000 3.224395 5.117606 3.006643 4.500654 4.576207 3.532581 3.563885 4.178914 3.538303 4.791085 4.290148 3.217673 2.547082 5.134844 5.479214 5.905561 4.685154 4.068639 4.235986 3.121802 2.233161 3.691988 5.931553 5.510135 5.871168 0.979943 0.000000 1.758365 3.649635 3.605713 3.441045 3.600886 3.794733 3.670582 3.410075 3.474620 3.373173 3.052968 3.976158 3.577612 4.420330 4.658756 5.304165 4.346734 3.886323 3.811513 3.221077 2.272483 3.422936 4.502876 4.088936 4.587520 0.985575 1.569546 0.000000 3.997037 6.352625 3.111325 2.791104 3.185625 2.812012 1.843050 1.812325 3.230300 6.519028 6.524639 2.739275 2.981566 4.363751 5.235109 4.688348 6.750680 5.930889 6.723719 4.222635 4.009834 3.992492 6.144372 5.261943 6.248753 4.264578 4.021194 3.907115 0.000000 4.867302 7.150672 3.681557 3.327099 3.693490 3.379075 2.424635 2.376353 3.883927 7.377289 7.422094 3.206142 3.588776 4.791705 5.722378 4.942076 7.506174 6.664122 7.553440 4.912106 4.828847 4.615338 6.778054 5.861952 6.879871 5.212266 4.944165 4.869062 0.965370 0.000000 4.284989 6.497434 2.198343 3.233885 3.376023 3.067391 2.218675 2.324196 3.613327 6.643174 6.503539 1.756550 2.117555 4.186477 5.056036 4.494578 6.258088 5.374648 6.290786 3.557337 3.437934 3.478239 6.344878 5.531365 6.308820 3.906902 3.591516 3.778792 0.989144 1.559816 0.000000 4.447131 6.785541 3.157468 5.337700 5.533158 2.718640 2.950267 4.712797 3.152640 6.469298 6.052457 2.814638 1.855175 6.198872 6.742875 6.810796 6.241582 5.498461 5.914122 4.157141 3.523576 4.746044 7.465340 6.906275 7.438758 2.776727 1.811329 3.138211 3.813846 4.566776 3.306900 0.000000 4.154119 6.779897 3.567820 5.028091 5.386970 1.741616 2.111336 4.345764 2.235181 6.471988 6.197393 3.105165 2.259570 6.316842 6.921361 6.924434 6.804531 6.067759 6.452901 4.648196 3.986460 5.075217 7.418086 6.781030 7.507605 3.143240 2.270630 3.201198 3.339117 4.065791 3.062605 0.989667 0.000000 5.236590 7.540523 3.928112 6.291855 6.494756 3.231882 3.652033 5.663228 3.677359 7.143587 6.682837 3.535722 2.559402 7.117504 7.636029 7.722000 6.868509 6.160949 6.504750 4.928391 4.312916 5.597564 8.330856 7.807228 8.300476 3.472185 2.496561 3.909082 4.680977 5.372349 4.171163 0.964679 1.568657 0.000000 5.273859 3.627190 5.635762 4.629155 3.835542 8.333289 7.750394 5.299548 8.137482 4.382390 4.151081 6.535782 6.883776 2.742285 1.781087 3.278781 2.715602 2.972421 3.123653 3.957597 4.176839 3.379232 2.770125 3.129911 1.791244 5.193762 6.061289 5.132963 6.709700 7.309804 6.519970 7.600947 7.871506 8.422616 0.000000 5.219324 3.723783 5.251971 4.915028 4.139507 8.142783 7.628666 5.473020 7.978486 4.301621 3.856701 6.192396 6.465220 3.030573 2.196449 3.643571 1.736249 2.122012 2.214987 3.448629 3.648527 3.094334 3.326104 3.657407 2.407959 4.669896 5.535870 4.774323 6.712352 7.381093 6.406921 7.112957 7.488467 7.875814 0.990040 0.000000 6.218633 4.375539 6.406435 5.474661 4.652102 9.279005 8.676668 6.156084 9.096037 5.149405 4.927584 7.323230 7.719296 3.403672 2.425706 3.734069 3.214468 3.592140 3.733025 4.715045 5.030768 4.148916 3.422109 3.879756 2.465837 6.109923 6.973110 6.086133 7.566355 8.117206 7.361135 8.501955 8.801027 9.310879 0.964780 1.571193 0.000000 2.718121 5.440023 6.055279 4.569914 5.357611 2.778752 3.164916 4.363913 1.798183 5.013071 5.270767 5.908537 5.379105 6.906788 7.319204 7.673515 7.740707 7.309383 7.147952 6.384745 5.533892 6.402123 6.295500 5.702029 6.842193 4.226621 4.086377 3.457184 4.445827 5.160487 4.924384 4.357439 3.633961 4.853967 7.972345 7.871645 8.923581 0.000000 1.740669 4.486751 5.560316 3.801023 4.540994 3.077399 3.220284 3.734028 2.186395 4.115356 4.391033 5.556815 5.112017 6.057166 6.411202 6.860967 6.882291 6.487484 6.301829 5.668367 4.821265 5.623943 5.324651 4.749168 5.860434 3.592670 3.650728 2.715582 4.146011 4.939110 4.590985 4.287658 3.696281 4.916701 7.007652 6.929006 7.955001 0.984873 0.000000 3.177537 5.759256 6.706839 4.711043 5.590289 3.262148 3.548869 4.552461 2.320519 5.408565 5.809770 6.533682 6.087231 7.258236 7.686561 7.982146 8.415269 7.996183 7.848952 7.053949 6.251094 6.964901 6.474644 5.845320 7.116384 5.064422 4.973299 4.228073 4.723062 5.318993 5.352815 5.200847 4.409948 5.715210 8.382123 8.383703 9.315101 0.964877 1.550069 0.000000 3.920852 3.235090 5.345118 5.516515 5.279362 6.736685 6.664526 5.845379 6.378817 2.831460 1.860502 6.059070 5.752142 5.263134 4.929683 6.171477 2.806175 3.070184 1.840680 3.984617 3.320453 4.309454 4.505306 4.724794 4.272517 2.742425 3.604462 3.011412 6.676723 7.602842 6.383323 5.385576 5.817103 5.889849 4.337492 3.649398 5.071241 5.962190 5.181441 6.700856 0.000000 3.416794 3.531217 4.574809 5.059740 4.893261 5.829432 5.782858 5.246737 5.528887 3.114266 2.253651 5.215308 4.838003 5.032171 4.882102 5.940258 3.054036 3.000897 2.213201 3.448297 2.645324 3.875105 4.719844 4.739148 4.537860 1.792651 2.624583 2.193285 5.888683 6.828875 5.562847 4.403873 4.844550 4.922668 4.647849 3.979749 5.469547 5.286397 4.554772 6.083543 0.982299 0.000000 0.983228 2.068739 5.366129 3.245058 3.587855 4.938256 4.769818 3.710247 4.286915 1.805924 2.159132 5.780861 5.540821 4.702664 4.717214 5.627587 5.005414 4.857258 4.396166 4.664099 3.881019 4.483295 3.159321 2.866611 3.647577 3.007251 3.691387 2.142462 4.887627 5.751829 5.119418 5.139218 4.960813 5.886723 4.865688 4.814156 5.776166 3.406468 2.444754 3.825392 3.402783 3.127340 0.000000 4.619691 3.961786 6.013730 6.422676 6.223348 7.226616 7.262784 6.712752 6.853719 3.411278 2.464894 6.685552 6.284738 6.205981 5.862170 7.102242 3.425391 3.764131 2.462544 4.736497 4.065651 5.165394 5.363126 5.630259 5.154203 3.304292 4.029800 3.661238 7.437285 8.378668 7.116223 5.720086 6.206545 6.086623 5.175510 4.439881 5.839592 6.381566 5.686742 7.158362 0.965238 1.555461 4.093031 0.000000 0.986370 3.055768 4.459680 1.761811 2.312675 4.114703 3.682651 2.143302 3.637208 3.192703 3.459173 4.772941 4.703658 3.796071 4.106098 4.623382 5.232682 4.831588 4.871398 4.107441 3.475036 3.751022 3.296030 2.579689 3.711932 3.073854 3.564960 2.172236 3.449332 4.254064 3.802723 4.693769 4.388049 5.572930 4.826366 4.900657 5.761299 3.292179 2.366532 3.603461 4.348550 3.870914 1.582848 5.160627 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5212,1.9238,-.4086;2.3815,2.4671,-.3062;-1.1207,-2.763,.4374;-.1906,.1044,-2.4305;.5089,-.5523,-2.2365;-4.2183,.4241,-.2048;-3.7039,-.0956,-.8559;-1.0316,-.3729,-2.2652;-3.8377,1.3287,-.2435;1.9291,2.9385,.4262;1.994,2.3419,1.1983;-2.0843,-2.8661,.2953;-2.4865,-2.2722,.9605;1.7383,-1.8055,-1.7961;2.6348,-1.5081,-1.5236;1.8659,-2.5701,-2.3707;3.1131,-1.2865,1.8037;2.2953,-1.7378,1.5112;2.7872,-.4323,2.1547;.6265,-2.1947,.7378;.2526,-1.3262,1.0138;.9514,-2.0677,-.1781;2.9114,1.5538,-1.7765;2.0701,1.2404,-2.1336;3.3407,.7512,-1.4122;-.5204,.1388,1.6669;-1.4308,-.1481,1.8885;-.6106,.7738,.9186;-2.5827,-1.1969,-1.8187;-2.9932,-1.685,-2.5434;-2.392,-1.8659,-1.1155;-3.1099,-.8255,1.9403;-3.5997,-.3259,1.2402;-3.6799,-.8451,2.7183;4.0176,-.7462,-.6992;3.798,-.9318,.2481;4.9194,-1.0561,-.8453;-3.0378,2.9391,-.2529;-2.1012,2.6524,-.3556;-3.248,3.4178,-1.0639;1.8752,1.1075,2.5853;.9591,.7797,2.4504;.3198,2.3709,-.1649;1.9082,1.4403,3.4908;-.3187,1.3215,-1.1631; 0.3533205 0.2198176 0.2025843 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= 523 523 523 523 523 MxSgAt= 45 MxSgA2= 45. 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= 510 RedAO= T EigKep= 1.24D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 518 518 518 518 518 MxSgAt= 45 MxSgA2= 45. 1 8.74393221e-01 -2.00024271e+00 -1.03466898e+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 43 44 45 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 8 1 1 1 1 0.000459939 -0.000577773 -0.000683514 -0.001709738 0.000566642 -0.000405790 -0.002772610 -0.000955331 0.001647686 -0.000996015 -0.001040731 -0.002856822 -0.002058818 0.001240001 0.002244253 0.002547220 0.000274282 -0.000256245 -0.002346384 0.002407201 -0.000230446 0.002455932 0.001536070 0.000334932 -0.000164639 -0.001331906 -0.000899997 0.000116470 -0.002574253 -0.001455568 0.000964596 -0.000184457 0.003790918 0.000970107 0.002788912 -0.000221271 0.001999450 -0.002726975 0.000439033 0.001507063 -0.001040048 -0.001025822 -0.001153667 -0.000554732 0.000492587 -0.000896675 0.002657777 -0.000416243 -0.001899551 -0.000243368 0.002188446 0.002704035 0.002900211 -0.001053200 0.001299741 -0.002536205 -0.000431404 -0.000221125 0.001105750 0.002294114 0.000839185 -0.001518835 -0.000121807 -0.001602046 0.000465633 -0.001088594 -0.000963830 -0.002732995 -0.001152924 0.001362638 0.002089644 -0.002737514 -0.000735569 0.002053947 0.003136346 -0.000395730 -0.000497620 0.001927143 0.000646530 0.000850049 -0.000226486 0.000481459 -0.000726184 -0.000952854 0.000005549 -0.002355348 -0.001186803 0.000229269 0.002293699 -0.001776354 0.000355938 0.000561158 0.000750560 -0.001194542 0.001223072 0.001226689 0.000584842 -0.000076375 -0.000483128 0.002233506 -0.000760597 0.001485117 -0.000032140 -0.001181999 -0.001528072 -0.000098183 -0.000086869 0.000617898 -0.002549340 0.000671378 0.000620120 0.002944323 -0.001282748 0.000103305 -0.002947092 0.000248841 0.001608478 -0.000035484 -0.000169141 -0.002891082 -0.002862275 0.000038291 -0.001420141 0.002291220 0.001645878 -0.000551603 0.000369254 0.000545782 -0.000321321 0.000528292 -0.002370743 0.001731109 -0.000261102 -0.000638984 -0.000263730 0.003790918 0.001530005 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.22918543273 -1147.22918592523 -0.000000492495 -1147.22918592303 0.000000002201 -1147.22918593234 -0.000000009311 -1147.22918593250 -0.000000000162 -1147.22918593 5 1.143311825866e+03 -5.611754092219e+03 1.870914546620e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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) PT49888.600S Thu Jul 18 19:26:37 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 43 44 45 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 O H H H H -0.903402 0.411955 0.395166 -0.769738 0.379089 -0.783335 0.362402 0.398713 0.429223 -0.798679 0.380850 -0.749780 0.357233 -0.774088 0.437132 0.341247 -0.761704 0.378964 0.388360 -0.826765 0.398537 0.421089 -0.710556 0.309178 0.413265 -0.828989 0.424543 0.424890 -0.743833 0.330189 0.420987 -0.793727 0.425183 0.350691 -0.794970 0.438483 0.344923 -0.765352 0.433887 0.316298 -0.738252 0.401561 0.464378 0.345587 0.419163 -0.00000 -19.13195 -19.13152 -19.13081 -19.12897 -19.12753 -19.12290 -19.12101 -19.11766 -19.11737 -19.11679 -19.11599 -19.11568 -19.11261 -19.11220 -19.11165 -1.03091 -1.02572 -1.02333 -1.01730 -1.01688 -1.01650 -1.01147 -1.00994 -1.00610 -1.00090 -1.00024 -0.99665 -0.99260 -0.98980 -0.98636 -0.54964 -0.54892 -0.54162 -0.53684 -0.53535 -0.53460 -0.53314 -0.53132 -0.52954 -0.52502 -0.52406 -0.52316 -0.52115 -0.52063 -0.51816 -0.44014 -0.43707 -0.42912 -0.42541 -0.42155 -0.40946 -0.40369 -0.40198 -0.40004 -0.39380 -0.38714 -0.38214 -0.37957 -0.37685 -0.36631 -0.33397 -0.33045 -0.32907 -0.32789 -0.32655 -0.32309 -0.32205 -0.32083 -0.31984 -0.31928 -0.31823 -0.31623 -0.31446 -0.31322 -0.31217 -0.00214 0.02424 0.03548 0.04089 0.05614 0.06095 0.06468 0.07933 0.08870 0.09345 0.10001 0.10445 0.10866 0.11111 0.11260 0.12077 0.12512 0.12949 0.13357 0.13877 0.14510 0.14908 0.15371 0.15706 0.16163 0.16829 0.16985 0.17654 0.17855 0.18066 0.18676 0.19105 0.19436 0.19836 0.19992 0.21007 0.21255 0.21627 0.21979 0.22380 0.22502 0.23141 0.23562 0.23759 0.24266 0.24593 0.24967 0.25153 0.25487 0.25732 0.26129 0.26601 0.26718 0.27205 0.27395 0.27624 0.28150 0.28294 0.28721 0.28750 0.29097 0.29352 0.29488 0.29644 0.29819 0.30088 0.30713 0.30846 0.31676 0.32767 0.32940 0.34258 0.35305 0.36308 0.36451 0.40242 0.41005 0.41596 0.43467 0.44270 0.44970 0.45725 0.47218 0.47873 0.48028 0.48304 0.50166 0.50396 0.51508 0.52427 0.52897 0.53248 0.54403 0.54937 0.55325 0.56494 0.56824 0.57476 0.58014 0.58211 0.59653 0.60490 0.60738 0.61685 0.61919 0.62948 0.63481 0.64343 0.65001 0.65492 0.66623 0.66841 0.67785 0.67858 0.68637 0.70100 0.70739 0.71371 0.72464 0.74233 0.93915 0.94496 0.95594 0.95908 0.97219 0.97877 0.98389 0.99058 0.99584 1.00051 1.00781 1.01146 1.01766 1.02888 1.03173 1.03592 1.03629 1.04672 1.05008 1.05975 1.06232 1.06437 1.07126 1.08104 1.08334 1.08486 1.09350 1.09765 1.09971 1.10225 1.10677 1.11400 1.11773 1.12738 1.13363 1.13973 1.14479 1.14692 1.15610 1.16417 1.17298 1.18763 1.18949 1.19910 1.20482 1.24249 1.25233 1.25932 1.26908 1.27646 1.28799 1.29149 1.29623 1.30818 1.31014 1.31320 1.32626 1.33735 1.34064 1.34217 1.35224 1.35753 1.36917 1.37526 1.38017 1.38366 1.39331 1.40082 1.40412 1.41021 1.41326 1.42133 1.43212 1.44746 1.45811 1.46206 1.46461 1.48785 1.49133 1.50026 1.50474 1.52214 1.53641 1.54084 1.55016 1.55436 1.56411 1.56602 1.57133 1.57933 1.58306 1.59132 1.60550 1.61337 1.62716 1.63236 1.65734 1.66150 1.67052 1.68220 1.70034 1.70355 1.71007 1.71465 1.72819 1.73652 1.74278 1.74744 1.75532 1.75676 1.77713 1.78377 1.79755 1.80130 1.81853 1.82751 1.84497 1.84755 1.85864 1.89169 2.03169 2.03299 2.03807 2.04548 2.05343 2.06204 2.09235 2.19557 2.22141 2.23307 2.26639 2.27396 2.29400 2.29581 2.31168 2.32753 2.33248 2.34808 2.35677 2.37707 2.38345 2.38895 2.39884 2.42361 2.43228 2.43796 2.45222 2.47184 2.48403 2.50532 2.54394 2.56925 2.57664 2.58287 2.58954 2.61708 2.67224 2.68762 2.69338 2.70421 2.70925 2.72329 2.73480 2.74039 2.74504 2.74651 2.75460 2.76327 2.77983 2.78500 2.79852 2.80828 2.81553 2.83935 2.84244 2.85312 2.85882 2.88426 2.91471 2.92965 3.07367 3.07700 3.08018 3.08428 3.08613 3.09112 3.09664 3.09888 3.10341 3.10934 3.11394 3.11609 3.12678 3.13751 3.13777 3.13996 3.14265 3.15008 3.15268 3.15665 3.16345 3.16609 3.17033 3.17301 3.18493 3.18938 3.20065 3.20651 3.21367 3.22100 3.29379 3.30282 3.30487 3.30807 3.32289 3.32563 3.32944 3.33217 3.34004 3.34657 3.35349 3.35884 3.37395 3.38276 3.39415 3.68644 3.69833 3.70481 3.71458 3.71703 3.72628 3.72853 3.73362 3.74100 3.74841 3.75226 3.76304 3.78769 3.80506 3.83611 3.91069 3.91278 3.91672 3.92473 3.92843 3.93166 3.93715 3.94373 3.94756 3.95378 3.96108 3.96587 3.97485 3.98792 4.01054 5.00895 5.01535 5.01936 5.02687 5.02937 5.03346 5.04552 5.04877 5.06058 5.06575 5.07093 5.08866 5.13553 5.14623 5.20402 5.36274 5.38305 5.38543 5.40817 5.43060 5.43546 5.44602 5.45555 5.46945 5.47657 5.48996 5.49964 5.51807 5.53684 5.56919 5.64505 5.65229 5.65989 5.66353 5.67406 5.69174 5.70442 5.71655 5.72696 5.73248 5.75154 5.75947 5.76329 5.78345 5.80330 49.88290 49.89445 49.90602 49.91327 49.91739 49.92224 49.93184 49.93240 49.93812 49.94043 49.95421 49.96019 49.96557 49.97120 49.99301 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 43 44 45 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 O H H H H -0.860662 0.398140 0.395255 -0.803328 0.392423 -0.776041 0.365006 0.416758 0.416885 -0.796328 0.395346 -0.759973 0.367973 -0.768722 0.407714 0.347343 -0.765896 0.383102 0.382792 -0.844233 0.406430 0.444776 -0.728958 0.327279 0.416550 -0.834618 0.435036 0.421142 -0.734506 0.332992 0.412628 -0.783578 0.410223 0.355979 -0.783488 0.419686 0.357038 -0.763804 0.426724 0.322309 -0.726835 0.389622 0.427323 0.347279 0.409214 -0.00000 7.75695960e-01 -1.99533882e+00 -5.62990388e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9716 -5.0716 -1.4310 5.6264 -105.2521 -126.5956 -85.2115 -13.3614 -3.9379 17.9990 0.4343 -20.9092 20.4749 -13.3614 -3.9379 17.9990 115.5528 -30.1858 58.9404 -12.4741 -72.8623 -29.1407 -46.8373 -12.3947 -61.5409 61.2127 -3900.7505 -2327.4397 -1264.8973 -130.9439 -197.9487 -281.2831 49.7051 21.9941 202.7468 -1079.5917 -725.3660 -478.0827 120.4603 59.5867 49.0667 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2291859 7.808E-9 9.72E-6 4.9743109,-1.6950626,-3.2792483,-16.0955869,-0.7715413,-15.627664 C01 [X(H30O15)] -0.9487875 1.821916 0.8249024 -0.000003406 0.000004488 0.000012021 -0.000017131 -0.000000505 0.000000809 -0.000008434 -0.000007607 -0.000006371 -0.000003732 -0.000003126 -0.000025719 -0.000002104 0.000010075 0.000023071 0.000002421 0.000018508 -0.000005277 0.000005203 -0.000002594 -0.000002791 -0.000005602 0.000006763 0.000003179 -0.000014776 -0.000018137 0.000003105 -0.000004030 0.000000718 -0.000005940 0.000015814 0.000003500 0.000009309 0.000008798 0.000013287 -0.000000527 -0.000004918 -0.000003757 -0.000003378 -0.000000555 0.000005645 0.000006271 -0.000022959 -0.000022884 0.000000406 0.000000648 -0.000003247 -0.000016681 0.000002732 -0.000013894 0.000003942 -0.000009724 0.000005475 -0.000009558 -0.000014572 0.000014089 0.000010783 -0.000008919 0.000006654 -0.000007328 0.000012644 0.000010632 -0.000002702 0.000005340 -0.000008630 0.000005539 0.000009245 -0.000018917 -0.000000577 0.000004868 -0.000002742 -0.000004531 0.000000466 0.000000975 0.000004794 -0.000020632 0.000010482 0.000005785 -0.000004105 -0.000015144 -0.000015703 0.000014555 0.000002270 0.000006286 0.000004166 -0.000005820 -0.000009647 -0.000000647 0.000002640 -0.000001167 -0.000015299 0.000003589 0.000009727 0.000007480 0.000022833 0.000010106 -0.000005496 0.000000226 0.000009417 0.000000067 0.000002984 0.000000286 0.000019560 0.000006982 -0.000011408 0.000004289 -0.000007559 0.000014888 -0.000000830 0.000003451 -0.000003461 0.000015357 0.000004735 -0.000004717 0.000008292 0.000006437 0.000005510 -0.000001967 -0.000006156 0.000001072 0.000005886 0.000011000 -0.000012801 0.000014484 -0.000021510 -0.000001355 0.000012651 -0.000005024 -0.000009270 -0.000000548 0.000001665 0.000004718 -0.000004583 -0.000012849 0.000009886 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7987,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; Gaussian 16 GINC-CABRERA LAMSABHI Optimization 15-agua/ CONF160 water EM64L-G16RevC.01 129 C1[X(H30O15)] 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7988,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; Optimization 15-agua/ CONF160 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 43 44 45 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 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 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 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 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/15-agua/water/CONF160/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 R49 R50 R51 R52 1 1 1 1 2 2 3 3 4 4 4 5 6 6 6 7 8 9 10 10 11 12 12 13 14 14 14 15 17 17 17 19 20 20 21 23 23 25 26 26 26 27 29 29 32 32 35 35 38 38 41 41 28 39 43 45 10 23 12 20 5 8 45 14 7 9 33 29 29 38 11 43 41 13 31 32 15 16 22 35 18 19 36 41 21 22 26 24 25 35 27 28 42 32 30 31 33 34 36 37 39 40 42 44 1.7584 1.7407 0.9832 0.9864 0.9815 1.8102 0.9795 1.8617 0.9789 0.981 1.7618 1.8099 0.9791 0.9822 1.7416 1.8431 1.8123 1.7982 0.9779 1.8059 1.8605 0.9783 1.7566 1.8552 0.983 0.965 1.8182 1.7811 0.9788 0.9793 1.7362 1.8407 0.9851 0.9801 1.7806 0.9662 0.9803 1.7912 0.9799 0.9856 1.7927 1.8113 0.9654 0.9891 0.9897 0.9647 0.99 0.9648 0.9849 0.9649 0.9823 0.9652 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 28 28 28 39 39 43 5 5 8 7 7 9 2 2 11 3 3 13 12 5 5 5 15 15 16 18 18 19 3 3 21 2 2 24 21 21 21 27 27 28 26 7 7 7 8 8 30 13 13 13 27 27 33 15 15 15 25 25 36 9 9 39 11 11 11 19 19 42 26 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 12 12 12 13 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 27 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 35 35 35 38 38 38 41 41 41 41 41 41 42 39 43 45 43 45 45 8 45 45 9 33 33 11 43 43 13 31 31 32 15 16 22 16 22 22 19 36 36 21 22 22 24 25 25 27 28 42 28 42 42 32 8 30 31 30 31 31 27 33 34 33 34 34 25 36 37 36 37 37 39 40 40 19 42 44 42 44 44 41 101.8076 98.8431 100.8648 125.3447 117.7266 106.9582 104.638 111.8944 98.7747 105.0103 97.8508 106.9622 105.4001 90.8884 97.2239 103.9935 103.2362 97.3814 166.1002 118.52 119.5719 91.2841 106.5102 101.0515 118.2214 103.3704 98.9775 105.9141 87.5986 101.5312 105.8647 102.0615 103.8552 104.6606 104.2049 106.9365 95.5171 105.9816 140.5906 100.1967 167.7383 112.1899 115.8238 98.6327 114.1322 108.5224 105.8838 87.9965 100.744 127.4863 104.4627 125.3374 106.761 83.1084 100.9837 121.2131 116.9876 124.1652 106.9731 99.3736 110.5902 105.3076 110.4252 100.2843 117.9344 98.672 119.3993 106.0054 161.6311 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 A99 A100 A101 A102 A103 A104 A105 A106 A107 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 1 10 12 4 6 4 6 10 14 17 20 14 23 1 12 6 17 1 1 1 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 45 2 3 5 7 8 9 11 15 19 21 22 25 28 31 33 36 39 43 45 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 4 23 20 14 29 29 38 41 35 41 26 20 35 26 29 32 35 38 10 4 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 3 3 1 2 1 16 4 5 1 3 4 1 4 6 1 1 1 7 14 3 -1 -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 -2 173.933 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 168.7835 180.6202 177.0739 181.2796 177.8444 173.8693 166.9529 168.8064 185.4858 181.3643 176.7885 188.0218 173.7606 173.3847 171.8875 173.109 173.7099 173.1553 171.4295 176.1339 176.5383 170.1587 174.914 183.5058 185.9044 172.3126 184.2223 176.0195 186.2596 182.3324 178.3571 185.6139 189.6741 186.7589 174.4541 187.2093 173.4371 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 28 28 39 39 43 43 28 28 39 39 45 45 39 39 39 43 43 43 45 45 45 28 28 43 43 45 45 8 8 8 45 45 45 5 5 5 45 45 45 9 9 9 33 33 33 7 7 7 9 9 9 7 7 33 33 11 11 43 43 2 2 2 43 43 43 13 13 31 31 3 31 3 3 3 13 13 13 12 12 12 5 5 15 15 16 16 5 5 5 16 16 16 22 22 22 18 18 18 19 19 19 18 18 18 36 36 36 3 3 3 22 22 22 2 2 2 24 24 24 21 28 42 21 27 28 26 26 26 11 19 44 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 27 27 27 41 41 41 4 4 4 4 4 4 10 10 10 10 10 10 26 26 26 26 26 26 26 26 26 38 38 38 38 38 38 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 23 23 23 23 41 41 41 41 41 41 20 20 20 20 13 13 29 29 29 29 29 29 32 32 32 20 20 20 20 20 20 35 35 35 35 35 35 35 35 35 35 35 35 35 35 35 41 41 41 41 41 41 26 26 26 26 26 26 35 35 35 35 35 35 27 27 27 42 42 42 32 32 32 42 42 42 5 8 5 8 5 8 2 11 2 11 2 11 21 27 42 21 27 42 21 27 42 9 40 9 40 9 40 15 16 22 15 16 22 7 30 31 7 30 31 8 30 31 8 30 31 13 27 34 13 27 34 39 40 39 40 24 25 24 25 19 42 44 19 42 44 21 22 21 22 32 32 7 8 30 7 8 30 27 33 34 3 21 3 21 3 21 25 36 37 25 36 37 25 36 37 15 25 37 15 25 37 11 42 44 11 42 44 27 28 42 27 28 42 15 36 37 15 36 37 32 32 32 41 41 41 13 33 34 26 26 26 -48.8799 59.4878 -155.418 -47.0502 53.9106 162.2784 105.8225 0.3503 -145.9191 108.6088 3.5697 -101.9025 137.0857 24.9716 -125.6466 -93.927 153.9589 3.3407 14.6456 -97.4685 111.9133 -50.682 -164.4467 -159.0587 87.1766 56.5531 -57.2116 -155.3952 70.483 -52.6571 -50.6047 175.2734 52.1334 135.1924 -90.1204 28.2308 20.6746 155.3618 -86.287 12.6282 -123.5453 125.1474 -95.4631 128.3633 17.0561 -17.8289 70.9723 -152.4662 -124.8369 -36.0357 100.5258 -37.7681 72.3917 64.4706 174.6304 96.5655 -11.3027 0.7853 -107.0829 4.233 -97.9804 148.898 95.6223 -6.591 -119.7127 -28.3049 -133.2475 70.5972 -34.3454 74.3566 -31.321 -117.163 -2.1997 123.319 -11.6301 103.3333 -131.148 -54.469 49.8739 170.9008 60.2012 -31.9211 179.6095 87.4873 -65.94 -158.0623 -16.062 100.2583 -142.4466 127.3826 -116.2971 0.9981 -108.9287 7.3916 124.6868 -0.1048 84.4592 -126.8922 -105.6187 -21.0548 127.5938 -96.1634 6.6013 119.3059 4.7923 107.557 -139.7384 21.1502 -90.8314 166.1417 121.8144 9.8328 -93.1941 114.0669 15.584 -122.8739 8.3384 -90.1445 131.3976 -49.1812 63.4673 -166.8447 56.9251 177.3148 -51.4199 37.1605 -63.4201 173.3532 48.5132 -64.2211 171.6991 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00014 0.00025 0.00029 0.00039 0.00067 0.00082 0.00092 0.00116 0.00128 0.00139 0.00182 0.00184 0.00209 0.00223 0.00233 0.00255 0.00281 0.00302 0.00323 0.00354 0.00365 0.00375 0.00389 0.00417 0.00433 0.00464 0.00485 0.00517 0.00524 0.00546 0.00574 0.00586 0.00617 0.00671 0.00714 0.00754 0.00777 0.00783 0.00813 0.00840 0.00876 0.00899 0.00930 0.00950 0.00958 0.00973 0.00993 0.01012 0.01066 0.01097 0.01128 0.01148 0.01154 0.01180 0.01207 0.01233 0.01261 0.01288 0.01293 0.01313 0.01332 0.01341 0.01370 0.01406 0.01416 0.01432 0.01462 0.01488 0.01497 0.01572 0.01599 0.01642 0.01696 0.01735 0.01777 0.01833 0.01856 0.01901 0.01961 0.02123 0.02657 0.02860 0.03315 0.03522 0.03679 0.03774 0.03998 0.04260 0.04404 0.04481 0.04593 0.04664 0.04773 0.05381 0.05580 0.06161 0.06512 0.06629 0.06862 0.32521 0.34153 0.34595 0.36504 0.37913 0.39373 0.41583 0.42133 0.42744 0.43634 0.43745 0.44125 0.44251 0.44789 0.45015 0.45103 0.45655 0.45947 0.46548 0.46860 0.46956 0.46996 0.47408 0.52389 0.52606 0.52687 0.52742 0.52742 0.52828 0.52845 Angle between quadratic step and forces= 71.75 degrees. 1 2 3 0.00143022 0.00000221 0.00000000 0.00000366 0.00000063 0.00000063 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 R49 R50 R51 R52 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 A99 A100 A101 A102 A103 A104 A105 A106 A107 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 3.32283 3.28939 1.85803 1.86397 1.85478 3.42071 1.85094 3.51820 1.84986 1.85389 3.32934 3.42024 1.85025 1.85608 3.29118 3.48286 3.42480 3.39807 1.84801 3.41270 3.51584 1.84869 3.31940 3.50577 1.85761 1.82354 3.43589 3.36577 1.84962 1.85070 3.28103 3.47838 1.86150 1.85209 3.36477 1.82589 1.85257 3.38496 1.85182 1.86247 3.38762 3.42292 1.82429 1.86921 1.87020 1.82298 1.87090 1.82317 1.86114 1.82335 1.85628 1.82404 1.77688 1.72514 1.76042 2.18768 2.05472 1.86677 1.82628 1.95293 1.72394 1.83278 1.70782 1.86684 1.83958 1.58630 1.69688 1.81503 1.80181 1.69963 2.89900 2.06856 2.08692 1.59321 1.85895 1.76368 2.06335 1.80415 1.72748 1.84855 1.52888 1.77205 1.84769 1.78131 1.81262 1.82667 1.81872 1.86639 1.66709 1.84973 2.45377 1.74876 2.92759 1.95808 2.02151 1.72147 1.99198 1.89407 1.84802 1.53583 1.75831 2.22506 1.82322 2.18755 1.86333 1.45052 1.76250 2.11557 2.04182 2.16709 1.86703 1.73440 1.93016 1.83796 1.92728 1.75029 2.05834 1.72215 2.08391 1.85014 2.82099 3.03570 2.94583 3.15242 3.09052 3.16393 3.10397 3.03459 2.91388 2.94623 3.23734 3.16540 3.08554 3.28160 3.03270 3.02613 3.00000 3.02132 3.03181 3.02213 2.99201 3.07412 3.08117 2.96983 3.05283 3.20278 3.24464 3.00742 3.21528 3.07212 3.25084 3.18230 3.11292 3.23957 3.31044 3.25956 3.04480 3.26742 3.02705 -0.85312 1.03826 -2.71256 -0.82118 0.94092 2.83229 1.84695 0.00611 -2.54677 1.89558 0.06230 -1.77853 2.39260 0.43584 -2.19295 -1.63933 2.68709 0.05831 0.25561 -1.70115 1.95326 -0.88457 -2.87014 -2.77610 1.52152 0.98704 -0.99853 -2.71216 1.23016 -0.91904 -0.88322 3.05910 0.90990 2.35955 -1.57290 0.49272 0.36084 2.71157 -1.50599 0.22040 -2.15627 2.18423 -1.66615 2.24036 0.29768 -0.31117 1.23870 -2.66104 -2.17881 -0.62894 1.75451 -0.65918 1.26347 1.12522 3.04788 1.68539 -0.19727 0.01371 -1.86895 0.07388 -1.71008 2.59876 1.66892 -0.11504 -2.08938 -0.49401 -2.32561 1.23215 -0.59944 1.29777 -0.54666 -2.04488 -0.03839 2.15232 -0.20298 1.80351 -2.28896 -0.95066 0.87046 2.98278 1.05071 -0.55713 3.13478 1.52694 -1.15087 -2.75871 -0.28034 1.74984 -2.48616 2.22325 -2.02977 0.01742 -1.90116 0.12901 2.17620 -0.00183 1.47409 -2.21469 -1.84339 -0.36748 2.22693 -1.67837 0.11521 2.08228 0.08364 1.87722 -2.43889 0.36914 -1.58531 2.89972 2.12606 0.17162 -1.62654 1.99084 0.27199 -2.14455 0.14553 -1.57332 2.29332 -0.85837 1.10771 -2.91199 0.99353 3.09473 -0.89745 0.64857 -1.10689 3.02558 0.84672 -1.12087 2.99671 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 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 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -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 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 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 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 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 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00025 0.00036 -0.00003 -0.00005 0.00004 -0.00063 0.00001 -0.00001 0.00011 -0.00001 0.00077 -0.00112 -0.00002 0.00005 0.00054 0.00028 0.00033 -0.00061 0.00004 0.00042 -0.00058 0.00002 0.00006 -0.00052 0.00014 -0.00001 0.00008 -0.00183 0.00000 -0.00006 -0.00022 0.00100 0.00001 -0.00006 -0.00018 0.00002 -0.00001 0.00030 -0.00005 -0.00000 0.00040 0.00110 0.00001 0.00002 -0.00004 0.00000 0.00004 0.00001 -0.00002 0.00000 -0.00003 0.00000 -0.00203 0.00097 0.00014 -0.00150 0.00222 -0.00002 -0.00007 -0.00027 -0.00057 0.00004 -0.00001 -0.00045 0.00002 -0.00003 -0.00107 -0.00008 -0.00035 0.00002 0.00024 -0.00097 -0.00165 -0.00004 0.00019 0.00005 0.00313 0.00007 -0.00057 -0.00056 -0.00038 -0.00021 0.00004 -0.00003 -0.00016 0.00003 0.00027 0.00026 0.00146 -0.00001 -0.00083 -0.00073 -0.00048 0.00112 -0.00055 0.00000 -0.00016 -0.00040 -0.00010 0.00042 -0.00004 0.00080 -0.00128 -0.00016 -0.00004 0.00006 0.00069 -0.00224 0.00088 0.00030 0.00003 -0.00055 0.00139 -0.00000 0.00076 0.00064 -0.00033 0.00030 -0.00101 0.00004 -0.00127 -0.00041 0.00007 -0.00003 0.00033 0.00025 0.00042 0.00025 0.00058 0.00023 0.00014 -0.00022 0.00028 0.00031 0.00049 -0.00027 -0.00042 0.00067 -0.00050 -0.00028 -0.00032 -0.00031 0.00087 -0.00008 -0.00046 0.00023 -0.00045 -0.00041 0.00026 0.00074 0.00018 0.00008 -0.00003 0.00037 -0.00002 0.00004 -0.00006 0.00006 -0.00017 0.00065 0.00019 0.00241 0.00195 0.00177 0.00131 -0.00016 -0.00013 -0.00258 -0.00255 -0.00053 -0.00050 0.00107 0.00058 0.00238 -0.00086 -0.00135 0.00045 -0.00067 -0.00116 0.00064 -0.00189 -0.00337 -0.00082 -0.00230 -0.00211 -0.00359 0.00053 0.00393 0.00059 0.00004 0.00344 0.00010 -0.00139 -0.00121 -0.00163 -0.00082 -0.00063 -0.00106 -0.00079 -0.00124 -0.00092 -0.00033 -0.00078 -0.00046 -0.00005 0.00026 -0.00103 -0.00001 0.00031 -0.00098 0.00238 0.00263 0.00229 0.00254 -0.00059 -0.00051 0.00063 0.00071 0.00015 -0.00065 -0.00113 -0.00008 -0.00089 -0.00136 -0.00079 -0.00077 -0.00085 -0.00082 -0.00019 0.00019 0.00012 0.00130 0.00087 0.00001 0.00119 0.00077 0.00130 0.00008 0.00053 -0.00013 0.00033 -0.00114 -0.00068 0.00046 0.00093 -0.00047 0.00038 -0.00028 -0.00405 -0.00321 -0.00386 -0.00037 0.00048 -0.00018 -0.00030 0.00005 0.00190 -0.00005 0.00029 0.00215 0.00041 0.00137 0.00141 -0.00026 0.00071 0.00074 0.00068 0.00037 0.00064 0.00049 0.00019 0.00046 0.00102 0.00022 -0.00161 0.00106 0.00026 -0.00157 0.00643 0.00682 0.00412 -0.00368 -0.00174 -0.00415 -0.00728 -0.00734 -0.00586 0.00412 0.00310 0.00406 -0.00025 0.00036 -0.00003 -0.00005 0.00004 -0.00064 0.00001 -0.00001 0.00011 -0.00001 0.00077 -0.00112 -0.00002 0.00005 0.00054 0.00028 0.00033 -0.00061 0.00004 0.00043 -0.00058 0.00002 0.00006 -0.00052 0.00014 -0.00001 0.00008 -0.00183 0.00000 -0.00006 -0.00022 0.00100 0.00001 -0.00006 -0.00018 0.00002 -0.00001 0.00030 -0.00005 -0.00000 0.00040 0.00110 0.00001 0.00002 -0.00004 0.00000 0.00004 0.00001 -0.00002 0.00000 -0.00003 0.00000 -0.00203 0.00097 0.00014 -0.00150 0.00222 -0.00002 -0.00007 -0.00027 -0.00057 0.00004 -0.00001 -0.00045 0.00002 -0.00003 -0.00107 -0.00008 -0.00035 0.00002 0.00024 -0.00097 -0.00165 -0.00004 0.00019 0.00005 0.00313 0.00007 -0.00057 -0.00056 -0.00038 -0.00021 0.00004 -0.00003 -0.00016 0.00003 0.00027 0.00026 0.00146 -0.00001 -0.00083 -0.00073 -0.00049 0.00112 -0.00055 0.00000 -0.00016 -0.00040 -0.00010 0.00042 -0.00004 0.00080 -0.00128 -0.00016 -0.00004 0.00006 0.00069 -0.00224 0.00087 0.00030 0.00003 -0.00055 0.00139 -0.00000 0.00076 0.00063 -0.00033 0.00030 -0.00101 0.00004 -0.00127 -0.00041 0.00007 -0.00003 0.00033 0.00025 0.00042 0.00025 0.00058 0.00023 0.00014 -0.00022 0.00028 0.00031 0.00049 -0.00027 -0.00042 0.00067 -0.00050 -0.00028 -0.00032 -0.00031 0.00087 -0.00008 -0.00046 0.00023 -0.00045 -0.00041 0.00026 0.00074 0.00018 0.00008 -0.00003 0.00037 -0.00002 0.00004 -0.00006 0.00006 -0.00017 0.00065 0.00019 0.00242 0.00196 0.00177 0.00131 -0.00016 -0.00013 -0.00258 -0.00255 -0.00053 -0.00050 0.00107 0.00058 0.00238 -0.00086 -0.00135 0.00045 -0.00067 -0.00116 0.00064 -0.00189 -0.00337 -0.00082 -0.00230 -0.00211 -0.00359 0.00053 0.00392 0.00059 0.00004 0.00343 0.00010 -0.00139 -0.00121 -0.00163 -0.00082 -0.00063 -0.00106 -0.00079 -0.00124 -0.00092 -0.00033 -0.00078 -0.00046 -0.00005 0.00026 -0.00103 -0.00001 0.00031 -0.00098 0.00238 0.00263 0.00229 0.00254 -0.00059 -0.00051 0.00063 0.00071 0.00015 -0.00066 -0.00113 -0.00008 -0.00089 -0.00136 -0.00080 -0.00077 -0.00085 -0.00082 -0.00019 0.00019 0.00012 0.00130 0.00087 0.00001 0.00119 0.00077 0.00131 0.00008 0.00053 -0.00013 0.00034 -0.00114 -0.00068 0.00046 0.00093 -0.00047 0.00038 -0.00028 -0.00405 -0.00321 -0.00387 -0.00037 0.00048 -0.00018 -0.00030 0.00005 0.00190 -0.00005 0.00029 0.00215 0.00041 0.00137 0.00141 -0.00026 0.00071 0.00074 0.00068 0.00037 0.00064 0.00049 0.00019 0.00046 0.00102 0.00022 -0.00161 0.00106 0.00026 -0.00157 0.00643 0.00682 0.00412 -0.00368 -0.00174 -0.00414 -0.00728 -0.00734 -0.00586 0.00412 0.00310 0.00406 3.32257 3.28975 1.85800 1.86392 1.85481 3.42008 1.85095 3.51818 1.84997 1.85388 3.33011 3.41912 1.85023 1.85613 3.29172 3.48314 3.42513 3.39747 1.84805 3.41313 3.51526 1.84870 3.31946 3.50525 1.85775 1.82352 3.43597 3.36394 1.84962 1.85065 3.28082 3.47938 1.86151 1.85204 3.36459 1.82592 1.85256 3.38526 1.85177 1.86246 3.38802 3.42401 1.82429 1.86923 1.87016 1.82298 1.87095 1.82318 1.86112 1.82335 1.85625 1.82404 1.77484 1.72611 1.76056 2.18618 2.05694 1.86675 1.82621 1.95266 1.72337 1.83282 1.70781 1.86639 1.83959 1.58628 1.69581 1.81495 1.80146 1.69965 2.89924 2.06759 2.08527 1.59317 1.85914 1.76373 2.06648 1.80423 1.72692 1.84799 1.52850 1.77185 1.84773 1.78128 1.81245 1.82670 1.81899 1.86665 1.66855 1.84971 2.45294 1.74803 2.92710 1.95920 2.02096 1.72147 1.99182 1.89367 1.84792 1.53625 1.75828 2.22585 1.82194 2.18739 1.86329 1.45058 1.76319 2.11332 2.04269 2.16739 1.86706 1.73385 1.93155 1.83796 1.92805 1.75093 2.05801 1.72245 2.08290 1.85019 2.81972 3.03530 2.94589 3.15238 3.09085 3.16418 3.10439 3.03484 2.91446 2.94646 3.23747 3.16518 3.08582 3.28191 3.03318 3.02586 2.99958 3.02199 3.03131 3.02185 2.99169 3.07381 3.08204 2.96975 3.05237 3.20301 3.24420 3.00701 3.21555 3.07285 3.25102 3.18239 3.11288 3.23994 3.31042 3.25960 3.04474 3.26748 3.02688 -0.85247 1.03845 -2.71014 -0.81923 0.94268 2.83360 1.84679 0.00598 -2.54935 1.89303 0.06177 -1.77903 2.39367 0.43642 -2.19056 -1.64020 2.68574 0.05875 0.25495 -1.70230 1.95390 -0.88646 -2.87351 -2.77692 1.51922 0.98493 -1.00212 -2.71162 1.23408 -0.91845 -0.88317 3.06253 0.91000 2.35816 -1.57411 0.49109 0.36002 2.71094 -1.50705 0.21962 -2.15752 2.18332 -1.66647 2.23958 0.29723 -0.31123 1.23896 -2.66207 -2.17882 -0.62863 1.75352 -0.65680 1.26610 1.12752 3.05042 1.68479 -0.19778 0.01433 -1.86824 0.07403 -1.71074 2.59763 1.66884 -0.11593 -2.09074 -0.49481 -2.32638 1.23130 -0.60026 1.29758 -0.54647 -2.04476 -0.03709 2.15320 -0.20297 1.80470 -2.28820 -0.94936 0.87054 2.98332 1.05058 -0.55679 3.13364 1.52626 -1.15041 -2.75778 -0.28080 1.75021 -2.48644 2.21919 -2.03298 0.01355 -1.90153 0.12948 2.17602 -0.00213 1.47414 -2.21279 -1.84345 -0.36718 2.22908 -1.67796 0.11659 2.08369 0.08338 1.87793 -2.43815 0.36982 -1.58493 2.90036 2.12656 0.17180 -1.62609 1.99187 0.27221 -2.14617 0.14660 -1.57306 2.29175 -0.85195 1.11453 -2.90787 0.98986 3.09299 -0.90159 0.64129 -1.11423 3.01973 0.85084 -1.11777 3.00078 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000004 0.009907 0.001431 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.616656e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1450.3331004514 45 45 45 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) -0.0489789308 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.954911 0.000000 4.800142 6.338237 0.000000 2.739918 4.087815 4.160864 0.000000 3.245500 4.043474 3.833121 0.978904 0.000000 3.994872 6.909534 4.490582 4.612913 5.237176 0.000000 3.795648 6.625800 3.932043 3.855236 4.456715 0.979113 0.000000 2.996959 4.853047 3.609044 0.981036 1.551148 3.877636 3.033875 0.000000 3.373507 6.322865 4.958675 4.425348 5.138451 0.982194 1.556118 3.854521 0.000000 2.780448 0.981506 6.466027 4.548172 4.614454 6.671675 6.525338 5.193715 6.024652 0.000000 3.013857 1.558680 6.028285 4.790240 4.730709 6.651232 6.528881 5.340363 6.092134 0.977927 0.000000 5.087434 6.982060 0.979476 4.454286 4.299818 3.953431 3.409455 3.725703 4.578397 7.058260 6.676171 0.000000 4.831494 6.911113 1.542666 4.734887 4.706538 3.409901 3.085380 4.016212 4.030220 6.850913 6.435903 0.978282 0.000000 4.575773 4.570393 3.752275 2.787628 1.809913 6.556273 5.781463 3.153516 6.582251 5.242193 5.121716 4.484566 5.066132 0.000000 4.793898 4.165200 4.418655 3.377180 2.437428 7.241403 6.528399 3.909067 7.181922 4.906391 4.758353 5.236672 5.743034 0.983005 0.000000 5.453711 5.468264 4.103987 3.374285 2.435330 7.118573 6.280158 3.637879 7.228914 6.178361 6.073042 4.774855 5.488993 0.964975 1.560967 0.000000 5.329963 4.367694 4.687423 5.547701 4.862470 7.791633 7.413699 5.879504 7.703542 4.598935 3.844994 5.637702 5.747849 3.888097 3.368788 4.541866 0.000000 5.002547 4.581671 3.724679 5.010982 4.317558 7.074274 6.655087 5.214584 7.077899 4.814480 4.102711 4.683235 4.842959 3.354463 3.062332 3.993242 0.978776 0.000000 4.802863 3.824584 4.863464 5.493559 4.948493 7.441625 7.163198 5.841408 7.262407 3.884127 3.039708 5.754383 5.711669 4.312107 3.835456 5.089053 0.979350 1.536378 0.000000 4.426468 5.089479 1.861749 3.999009 3.399677 5.587409 5.069413 3.884146 5.771255 5.305098 4.760510 2.827613 3.121927 2.794308 3.101406 3.367478 2.853746 1.895158 3.127651 0.000000 3.631031 4.545767 2.069486 3.755857 3.350983 4.953530 4.545776 3.648276 5.035902 4.619933 4.064599 2.889461 2.898341 3.214426 3.485201 3.950332 2.967810 2.142293 2.919743 0.985062 0.000000 4.260670 4.756668 2.270723 3.331005 2.594053 5.738964 5.101032 3.340756 5.871607 5.136441 4.735524 3.174491 3.627321 1.818196 2.226512 2.428243 3.034847 2.183644 3.389152 0.980084 1.568041 0.000000 3.713608 1.810164 6.308265 3.485752 3.227890 7.387790 6.879667 4.415625 6.924711 2.781079 3.211241 6.984629 7.160078 3.558224 3.084720 4.295651 4.574388 4.692785 4.406110 5.058989 4.811347 4.417133 0.000000 3.187077 2.222888 5.728772 2.547349 2.379425 6.628032 6.062673 3.498579 6.203441 3.075122 3.510084 6.326301 6.532575 3.082396 2.871430 3.823315 4.793222 4.712148 4.658490 4.704122 4.449356 4.002320 0.966221 0.000000 4.158889 2.255585 5.972862 3.731602 3.224530 7.661806 7.117043 4.594299 7.295821 3.186970 3.340437 6.740273 6.980460 3.041625 2.369640 3.758317 3.813882 3.979165 3.798635 4.546160 4.442669 3.895837 0.980337 1.540816 0.000000 2.737503 4.211327 3.208259 4.110824 4.095592 4.154400 4.068672 3.998097 4.008774 3.921443 3.375647 3.654748 3.190250 4.568861 4.779897 5.416211 3.905476 3.387374 3.391825 2.761195 1.780558 3.230936 5.063231 4.729488 4.976336 0.000000 3.224395 5.117606 3.006643 4.500654 4.576207 3.532581 3.563885 4.178914 3.538303 4.791085 4.290148 3.217673 2.547082 5.134844 5.479214 5.905561 4.685154 4.068639 4.235986 3.121802 2.233161 3.691988 5.931553 5.510135 5.871168 0.979943 0.000000 1.758365 3.649635 3.605713 3.441045 3.600886 3.794733 3.670582 3.410075 3.474620 3.373173 3.052968 3.976158 3.577612 4.420330 4.658756 5.304165 4.346734 3.886323 3.811513 3.221077 2.272483 3.422936 4.502876 4.088936 4.587520 0.985575 1.569546 0.000000 3.997037 6.352625 3.111325 2.791104 3.185625 2.812012 1.843050 1.812325 3.230300 6.519028 6.524639 2.739275 2.981566 4.363751 5.235109 4.688348 6.750680 5.930889 6.723719 4.222635 4.009834 3.992492 6.144372 5.261943 6.248753 4.264578 4.021194 3.907115 0.000000 4.867302 7.150672 3.681557 3.327099 3.693490 3.379075 2.424635 2.376353 3.883927 7.377289 7.422094 3.206142 3.588776 4.791705 5.722378 4.942076 7.506174 6.664122 7.553440 4.912106 4.828847 4.615338 6.778054 5.861952 6.879871 5.212266 4.944165 4.869062 0.965370 0.000000 4.284989 6.497434 2.198343 3.233885 3.376023 3.067391 2.218675 2.324196 3.613327 6.643174 6.503539 1.756550 2.117555 4.186477 5.056036 4.494578 6.258088 5.374648 6.290786 3.557337 3.437934 3.478239 6.344878 5.531365 6.308820 3.906902 3.591516 3.778792 0.989144 1.559816 0.000000 4.447131 6.785541 3.157468 5.337700 5.533158 2.718640 2.950267 4.712797 3.152640 6.469298 6.052457 2.814638 1.855175 6.198872 6.742875 6.810796 6.241582 5.498461 5.914122 4.157141 3.523576 4.746044 7.465340 6.906275 7.438758 2.776727 1.811329 3.138211 3.813846 4.566776 3.306900 0.000000 4.154119 6.779897 3.567820 5.028091 5.386970 1.741616 2.111336 4.345764 2.235181 6.471988 6.197393 3.105165 2.259570 6.316842 6.921361 6.924434 6.804531 6.067759 6.452901 4.648196 3.986460 5.075217 7.418086 6.781030 7.507605 3.143240 2.270630 3.201198 3.339117 4.065791 3.062605 0.989667 0.000000 5.236590 7.540523 3.928112 6.291855 6.494756 3.231882 3.652033 5.663228 3.677359 7.143587 6.682837 3.535722 2.559402 7.117504 7.636029 7.722000 6.868509 6.160949 6.504750 4.928391 4.312916 5.597564 8.330856 7.807228 8.300476 3.472185 2.496561 3.909082 4.680977 5.372349 4.171163 0.964679 1.568657 0.000000 5.273859 3.627190 5.635762 4.629155 3.835542 8.333289 7.750394 5.299548 8.137482 4.382390 4.151081 6.535782 6.883776 2.742285 1.781087 3.278781 2.715602 2.972421 3.123653 3.957597 4.176839 3.379232 2.770125 3.129911 1.791244 5.193762 6.061289 5.132963 6.709700 7.309804 6.519970 7.600947 7.871506 8.422616 0.000000 5.219324 3.723783 5.251971 4.915028 4.139507 8.142783 7.628666 5.473020 7.978486 4.301621 3.856701 6.192396 6.465220 3.030573 2.196449 3.643571 1.736249 2.122012 2.214987 3.448629 3.648527 3.094334 3.326104 3.657407 2.407959 4.669896 5.535870 4.774323 6.712352 7.381093 6.406921 7.112957 7.488467 7.875814 0.990040 0.000000 6.218633 4.375539 6.406435 5.474661 4.652102 9.279005 8.676668 6.156084 9.096037 5.149405 4.927584 7.323230 7.719296 3.403672 2.425706 3.734069 3.214468 3.592140 3.733025 4.715045 5.030768 4.148916 3.422109 3.879756 2.465837 6.109923 6.973110 6.086133 7.566355 8.117206 7.361135 8.501955 8.801027 9.310879 0.964780 1.571193 0.000000 2.718121 5.440023 6.055279 4.569914 5.357611 2.778752 3.164916 4.363913 1.798183 5.013071 5.270767 5.908537 5.379105 6.906788 7.319204 7.673515 7.740707 7.309383 7.147952 6.384745 5.533892 6.402123 6.295500 5.702029 6.842193 4.226621 4.086377 3.457184 4.445827 5.160487 4.924384 4.357439 3.633961 4.853967 7.972345 7.871645 8.923581 0.000000 1.740669 4.486751 5.560316 3.801023 4.540994 3.077399 3.220284 3.734028 2.186395 4.115356 4.391033 5.556815 5.112017 6.057166 6.411202 6.860967 6.882291 6.487484 6.301829 5.668367 4.821265 5.623943 5.324651 4.749168 5.860434 3.592670 3.650728 2.715582 4.146011 4.939110 4.590985 4.287658 3.696281 4.916701 7.007652 6.929006 7.955001 0.984873 0.000000 3.177537 5.759256 6.706839 4.711043 5.590289 3.262148 3.548869 4.552461 2.320519 5.408565 5.809770 6.533682 6.087231 7.258236 7.686561 7.982146 8.415269 7.996183 7.848952 7.053949 6.251094 6.964901 6.474644 5.845320 7.116384 5.064422 4.973299 4.228073 4.723062 5.318993 5.352815 5.200847 4.409948 5.715210 8.382123 8.383703 9.315101 0.964877 1.550069 0.000000 3.920852 3.235090 5.345118 5.516515 5.279362 6.736685 6.664526 5.845379 6.378817 2.831460 1.860502 6.059070 5.752142 5.263134 4.929683 6.171477 2.806175 3.070184 1.840680 3.984617 3.320453 4.309454 4.505306 4.724794 4.272517 2.742425 3.604462 3.011412 6.676723 7.602842 6.383323 5.385576 5.817103 5.889849 4.337492 3.649398 5.071241 5.962190 5.181441 6.700856 0.000000 3.416794 3.531217 4.574809 5.059740 4.893261 5.829432 5.782858 5.246737 5.528887 3.114266 2.253651 5.215308 4.838003 5.032171 4.882102 5.940258 3.054036 3.000897 2.213201 3.448297 2.645324 3.875105 4.719844 4.739148 4.537860 1.792651 2.624583 2.193285 5.888683 6.828875 5.562847 4.403873 4.844550 4.922668 4.647849 3.979749 5.469547 5.286397 4.554772 6.083543 0.982299 0.000000 0.983228 2.068739 5.366129 3.245058 3.587855 4.938256 4.769818 3.710247 4.286915 1.805924 2.159132 5.780861 5.540821 4.702664 4.717214 5.627587 5.005414 4.857258 4.396166 4.664099 3.881019 4.483295 3.159321 2.866611 3.647577 3.007251 3.691387 2.142462 4.887627 5.751829 5.119418 5.139218 4.960813 5.886723 4.865688 4.814156 5.776166 3.406468 2.444754 3.825392 3.402783 3.127340 0.000000 4.619691 3.961786 6.013730 6.422676 6.223348 7.226616 7.262784 6.712752 6.853719 3.411278 2.464894 6.685552 6.284738 6.205981 5.862170 7.102242 3.425391 3.764131 2.462544 4.736497 4.065651 5.165394 5.363126 5.630259 5.154203 3.304292 4.029800 3.661238 7.437285 8.378668 7.116223 5.720086 6.206545 6.086623 5.175510 4.439881 5.839592 6.381566 5.686742 7.158362 0.965238 1.555461 4.093031 0.000000 0.986370 3.055768 4.459680 1.761811 2.312675 4.114703 3.682651 2.143302 3.637208 3.192703 3.459173 4.772941 4.703658 3.796071 4.106098 4.623382 5.232682 4.831588 4.871398 4.107441 3.475036 3.751022 3.296030 2.579689 3.711932 3.073854 3.564960 2.172236 3.449332 4.254064 3.802723 4.693769 4.388049 5.572930 4.826366 4.900657 5.761299 3.292179 2.366532 3.603461 4.348550 3.870914 1.582848 5.160627 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5212,1.9238,-.4086;2.3815,2.4671,-.3062;-1.1207,-2.763,.4374;-.1906,.1044,-2.4305;.5089,-.5523,-2.2365;-4.2183,.4241,-.2048;-3.7039,-.0956,-.8559;-1.0316,-.3729,-2.2652;-3.8377,1.3287,-.2435;1.9291,2.9385,.4262;1.994,2.3419,1.1983;-2.0843,-2.8661,.2953;-2.4865,-2.2722,.9605;1.7383,-1.8055,-1.7961;2.6348,-1.5081,-1.5236;1.8659,-2.5701,-2.3707;3.1131,-1.2865,1.8037;2.2953,-1.7378,1.5112;2.7872,-.4323,2.1547;.6265,-2.1947,.7378;.2526,-1.3262,1.0138;.9514,-2.0677,-.1781;2.9114,1.5538,-1.7765;2.0701,1.2404,-2.1336;3.3407,.7512,-1.4122;-.5204,.1388,1.6669;-1.4308,-.1481,1.8885;-.6106,.7738,.9186;-2.5827,-1.1969,-1.8187;-2.9932,-1.685,-2.5434;-2.392,-1.8659,-1.1155;-3.1099,-.8255,1.9403;-3.5997,-.3259,1.2402;-3.6799,-.8451,2.7183;4.0176,-.7462,-.6992;3.798,-.9318,.2481;4.9194,-1.0561,-.8453;-3.0378,2.9391,-.2529;-2.1012,2.6524,-.3556;-3.248,3.4178,-1.0639;1.8752,1.1075,2.5853;.9591,.7797,2.4504;.3198,2.3709,-.1649;1.9082,1.4403,3.4908;-.3187,1.3215,-1.1631; 0.3533205 0.2198176 0.2025843 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= 510 RedAO= T EigKep= 1.24D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 518 517 517 517 518 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22918593252 -1147.22918593 1 1.143311832148e+03 -5.611754080412e+03 1.870914528531e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13761 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 3.26D-14 1.00D-09 XBig12= 6.58D+01 1.21D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 3.26D-14 1.00D-09 XBig12= 2.16D+00 1.74D-01. 135 vectors produced by pass 2 Test12= 3.26D-14 1.00D-09 XBig12= 2.22D-02 1.44D-02. 135 vectors produced by pass 3 Test12= 3.26D-14 1.00D-09 XBig12= 6.07D-05 5.52D-04. 135 vectors produced by pass 4 Test12= 3.26D-14 1.00D-09 XBig12= 9.65D-08 1.76D-05. 77 vectors produced by pass 5 Test12= 3.26D-14 1.00D-09 XBig12= 9.62D-11 6.74D-07. 7 vectors produced by pass 6 Test12= 3.26D-14 1.00D-09 XBig12= 6.20D-14 2.22D-08. 3 vectors produced by pass 7 Test12= 3.26D-14 1.00D-09 XBig12= 6.09D-16 1.74D-09. 3 vectors produced by pass 8 Test12= 3.26D-14 1.00D-09 XBig12= 2.38D-15 5.20D-09. 3 vectors produced by pass 9 Test12= 3.26D-14 1.00D-09 XBig12= 4.66D-15 5.46D-09. 3 vectors produced by pass 10 Test12= 3.26D-14 1.00D-09 XBig12= 1.73D-15 3.10D-09. 3 vectors produced by pass 11 Test12= 3.26D-14 1.00D-09 XBig12= 1.73D-15 3.48D-09. 3 vectors produced by pass 12 Test12= 3.26D-14 1.00D-09 XBig12= 4.24D-15 5.76D-09. 3 vectors produced by pass 13 Test12= 3.26D-14 1.00D-09 XBig12= 2.24D-15 3.40D-09. 3 vectors produced by pass 14 Test12= 3.26D-14 1.00D-09 XBig12= 4.48D-15 4.41D-09. 3 vectors produced by pass 15 Test12= 3.26D-14 1.00D-09 XBig12= 1.71D-15 2.90D-09. 3 vectors produced by pass 16 Test12= 3.26D-14 1.00D-09 XBig12= 1.89D-15 3.71D-09. 3 vectors produced by pass 17 Test12= 3.26D-14 1.00D-09 XBig12= 4.64D-15 5.31D-09. 2 vectors produced by pass 18 Test12= 3.26D-14 1.00D-09 XBig12= 2.29D-15 3.73D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 794 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 168.91 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 171.748 -0.827 166.221 0.352 1.301 168.748 159.319 -1.052 153.359 0.158 1.821 156.616 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT18092.500S Thu Jul 18 19:46:12 2024 -19.13195 -19.13152 -19.13081 -19.12897 -19.12753 -19.12289 -19.12101 -19.11766 -19.11737 -19.11679 -19.11599 -19.11568 -19.11261 -19.11220 -19.11165 -1.03091 -1.02572 -1.02333 -1.01730 -1.01688 -1.01650 -1.01147 -1.00994 -1.00610 -1.00090 -1.00024 -0.99665 -0.99260 -0.98980 -0.98636 -0.54964 -0.54892 -0.54162 -0.53684 -0.53535 -0.53460 -0.53314 -0.53132 -0.52954 -0.52502 -0.52406 -0.52316 -0.52115 -0.52063 -0.51816 -0.44014 -0.43707 -0.42912 -0.42541 -0.42155 -0.40946 -0.40369 -0.40198 -0.40004 -0.39380 -0.38714 -0.38214 -0.37957 -0.37685 -0.36631 -0.33397 -0.33045 -0.32907 -0.32789 -0.32655 -0.32309 -0.32205 -0.32083 -0.31984 -0.31928 -0.31823 -0.31623 -0.31446 -0.31322 -0.31217 -0.00214 0.02424 0.03548 0.04089 0.05614 0.06095 0.06468 0.07933 0.08870 0.09345 0.10001 0.10445 0.10866 0.11111 0.11260 0.12077 0.12512 0.12949 0.13357 0.13877 0.14510 0.14908 0.15371 0.15706 0.16163 0.16829 0.16985 0.17654 0.17855 0.18066 0.18676 0.19105 0.19436 0.19836 0.19992 0.21007 0.21255 0.21627 0.21979 0.22380 0.22502 0.23141 0.23562 0.23759 0.24266 0.24593 0.24967 0.25153 0.25487 0.25732 0.26129 0.26601 0.26718 0.27205 0.27395 0.27624 0.28150 0.28294 0.28721 0.28750 0.29097 0.29352 0.29488 0.29644 0.29819 0.30088 0.30713 0.30846 0.31676 0.32767 0.32940 0.34258 0.35305 0.36308 0.36451 0.40242 0.41005 0.41596 0.43467 0.44270 0.44970 0.45725 0.47218 0.47873 0.48028 0.48304 0.50166 0.50396 0.51508 0.52427 0.52897 0.53248 0.54403 0.54937 0.55325 0.56494 0.56824 0.57476 0.58014 0.58211 0.59653 0.60490 0.60738 0.61685 0.61919 0.62948 0.63481 0.64343 0.65001 0.65492 0.66623 0.66841 0.67785 0.67858 0.68637 0.70100 0.70739 0.71371 0.72464 0.74233 0.93915 0.94496 0.95594 0.95908 0.97219 0.97877 0.98389 0.99058 0.99584 1.00051 1.00781 1.01146 1.01766 1.02888 1.03173 1.03592 1.03629 1.04672 1.05008 1.05975 1.06232 1.06437 1.07126 1.08104 1.08334 1.08486 1.09350 1.09765 1.09971 1.10225 1.10677 1.11400 1.11773 1.12738 1.13363 1.13973 1.14479 1.14692 1.15610 1.16417 1.17298 1.18763 1.18949 1.19910 1.20482 1.24249 1.25233 1.25932 1.26908 1.27646 1.28799 1.29149 1.29623 1.30818 1.31014 1.31320 1.32626 1.33735 1.34064 1.34217 1.35224 1.35753 1.36917 1.37526 1.38017 1.38366 1.39331 1.40082 1.40412 1.41021 1.41326 1.42133 1.43212 1.44746 1.45811 1.46206 1.46461 1.48785 1.49133 1.50026 1.50474 1.52214 1.53641 1.54084 1.55016 1.55436 1.56411 1.56602 1.57133 1.57933 1.58306 1.59132 1.60550 1.61337 1.62716 1.63236 1.65734 1.66150 1.67052 1.68220 1.70034 1.70355 1.71007 1.71465 1.72819 1.73652 1.74278 1.74744 1.75532 1.75676 1.77713 1.78377 1.79755 1.80130 1.81853 1.82751 1.84497 1.84755 1.85864 1.89169 2.03169 2.03299 2.03807 2.04548 2.05343 2.06204 2.09235 2.19557 2.22141 2.23307 2.26639 2.27396 2.29400 2.29581 2.31168 2.32753 2.33248 2.34808 2.35677 2.37707 2.38345 2.38895 2.39884 2.42361 2.43228 2.43796 2.45222 2.47184 2.48403 2.50532 2.54394 2.56925 2.57664 2.58287 2.58954 2.61708 2.67224 2.68762 2.69338 2.70421 2.70925 2.72329 2.73480 2.74039 2.74504 2.74651 2.75460 2.76327 2.77983 2.78500 2.79852 2.80828 2.81553 2.83935 2.84244 2.85312 2.85882 2.88426 2.91471 2.92965 3.07367 3.07700 3.08018 3.08428 3.08613 3.09112 3.09664 3.09888 3.10341 3.10934 3.11394 3.11609 3.12678 3.13751 3.13777 3.13996 3.14265 3.15008 3.15268 3.15665 3.16345 3.16609 3.17033 3.17301 3.18493 3.18938 3.20065 3.20651 3.21367 3.22100 3.29379 3.30282 3.30487 3.30807 3.32289 3.32563 3.32944 3.33218 3.34004 3.34657 3.35349 3.35885 3.37395 3.38276 3.39415 3.68644 3.69833 3.70481 3.71458 3.71703 3.72628 3.72853 3.73362 3.74100 3.74841 3.75226 3.76304 3.78769 3.80506 3.83611 3.91069 3.91278 3.91672 3.92473 3.92843 3.93166 3.93715 3.94373 3.94756 3.95378 3.96108 3.96587 3.97485 3.98792 4.01054 5.00895 5.01535 5.01936 5.02687 5.02937 5.03347 5.04552 5.04877 5.06058 5.06575 5.07093 5.08866 5.13553 5.14623 5.20402 5.36274 5.38305 5.38543 5.40817 5.43060 5.43546 5.44602 5.45555 5.46945 5.47657 5.48996 5.49964 5.51807 5.53684 5.56919 5.64505 5.65229 5.65989 5.66352 5.67406 5.69174 5.70442 5.71655 5.72696 5.73248 5.75154 5.75947 5.76329 5.78345 5.80330 49.88290 49.89445 49.90602 49.91327 49.91739 49.92224 49.93184 49.93240 49.93812 49.94043 49.95421 49.96019 49.96557 49.97120 49.99301 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 43 44 45 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 O H H H H -0.860662 0.398140 0.395254 -0.803328 0.392423 -0.776040 0.365006 0.416758 0.416884 -0.796328 0.395346 -0.759972 0.367973 -0.768721 0.407713 0.347343 -0.765896 0.383102 0.382792 -0.844233 0.406430 0.444776 -0.728957 0.327278 0.416550 -0.834618 0.435036 0.421142 -0.734507 0.332993 0.412629 -0.783579 0.410223 0.355979 -0.783488 0.419686 0.357038 -0.763805 0.426725 0.322310 -0.726834 0.389622 0.427323 0.347279 0.409214 -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 41 O O O O O O O O O O O O O O O -0.024125 0.005854 0.005850 -0.002842 0.003255 -0.013665 -0.000002 0.006973 0.014871 0.021560 0.011115 -0.017377 -0.006763 -0.014770 0.010066 -0.00000 7.75696010e-01 -1.99533864e+00 -5.62992137e-01 1.71747790e+02 -8.27101043e-01 1.66220790e+02 3.52151002e-01 1.30111908e+00 1.68748462e+02 -5.3155 -0.0003 0.0006 0.0010 0.7299 9.8306 20.7864 35.9159 40.5713 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.9240 35.8772 40.4841 47.5879 51.8353 53.4928 56.0739 61.4712 62.6202 65.3312 69.0838 72.8907 80.1528 84.8382 95.0769 110.1909 141.3716 153.4519 155.8296 168.7885 176.8890 181.1626 182.6926 187.8735 193.2310 195.6467 202.7988 207.3131 211.3078 214.4291 222.6744 225.7694 234.3520 235.9207 240.3509 247.8386 248.7767 252.6529 256.1856 261.3921 274.1789 282.8794 292.0160 302.7300 308.3397 335.1310 406.7240 407.2955 423.1559 428.1205 434.6502 467.2537 502.1942 510.5281 534.4299 546.2202 550.2924 562.5713 580.1164 587.6209 604.4398 607.2176 617.8997 646.7795 654.5271 665.9051 673.5043 683.0288 699.6493 706.0870 714.2816 719.2699 725.3691 744.2325 747.4915 781.3833 796.5971 801.6650 833.3141 845.3549 876.3146 883.6107 888.0730 892.6446 1598.4964 1598.9842 1600.6066 1603.4408 1604.3162 1611.1028 1628.7562 1631.2015 1635.1255 1637.6905 1640.9423 1644.3412 1651.5276 1660.8468 1668.3133 3270.4244 3275.8239 3295.9134 3312.1959 3346.8854 3382.3670 3389.0647 3420.7176 3428.6583 3449.5598 3458.0552 3472.4446 3477.9715 3487.2616 3506.0211 3507.3871 3510.4104 3520.8455 3526.5142 3538.7636 3548.6806 3556.5479 3568.0232 3817.5575 3826.8140 3831.1218 3831.4885 3832.9197 3835.1795 3836.1682 5.5348 6.3669 5.7142 5.8587 6.5227 6.6187 6.2772 6.3259 6.7174 6.3486 6.7620 7.0617 6.6183 6.7193 6.9952 6.4126 4.9369 6.0900 4.5007 3.4193 4.2208 4.1619 3.7664 4.3290 4.3417 3.5071 4.5912 4.8519 4.8242 1.9290 2.9120 2.2859 4.1528 3.3740 1.8712 3.3230 3.0690 5.1534 2.2790 2.8908 4.7389 4.5169 4.6299 1.3144 1.1898 1.0853 1.0634 1.0543 1.0774 1.0649 1.0591 1.0830 1.0429 1.0426 1.0356 1.0324 1.0340 1.0460 1.0444 1.0338 1.0407 1.0500 1.0476 1.0498 1.0460 1.0486 1.0553 1.0431 1.0498 1.0511 1.0527 1.0468 1.0527 1.0374 1.0397 1.0353 1.0565 1.0374 1.0373 1.0408 1.0274 1.0326 1.0323 1.0306 1.0757 1.0758 1.0742 1.0741 1.0741 1.0749 1.0713 1.0704 1.0699 1.0684 1.0681 1.0643 1.0695 1.0661 1.0696 1.0668 1.0658 1.0664 1.0584 1.0625 1.0669 1.0751 1.0663 1.0594 1.0663 1.0624 1.0610 1.0637 1.0730 1.0551 1.0677 1.0617 1.0685 1.0707 1.0747 1.0673 1.0718 1.0771 1.0671 1.0665 1.0677 1.0669 1.0675 1.0670 1.0673 0.0013 0.0048 0.0055 0.0078 0.0103 0.0112 0.0116 0.0141 0.0155 0.0160 0.0190 0.0221 0.0251 0.0285 0.0373 0.0459 0.0581 0.0845 0.0644 0.0574 0.0778 0.0805 0.0741 0.0900 0.0955 0.0791 0.1113 0.1229 0.1269 0.0523 0.0851 0.0686 0.1344 0.1106 0.0637 0.1203 0.1119 0.1938 0.0881 0.1164 0.2099 0.2130 0.2326 0.0710 0.0666 0.0718 0.1036 0.1031 0.1137 0.1150 0.1179 0.1393 0.1550 0.1601 0.1743 0.1815 0.1845 0.1950 0.2071 0.2103 0.2240 0.2281 0.2357 0.2587 0.2640 0.2740 0.2820 0.2867 0.3028 0.3088 0.3165 0.3191 0.3263 0.3385 0.3423 0.3724 0.3950 0.3928 0.4244 0.4382 0.4649 0.4750 0.4797 0.4838 1.6194 1.6205 1.6214 1.6270 1.6288 1.6438 1.6744 1.6781 1.6853 1.6883 1.6946 1.6955 1.7187 1.7326 1.7540 6.7226 6.7385 6.8253 6.8415 7.0120 7.1914 7.2755 7.3516 7.3375 7.4759 7.4850 7.5374 7.5811 7.6884 7.6414 7.7384 7.7088 7.8041 7.8452 7.9291 7.9187 7.9879 8.0788 9.1624 9.2023 9.2332 9.2280 9.2399 9.2469 9.2538 5.4747 0.6256 1.3209 4.2383 5.1274 0.8427 3.4502 0.6389 1.0103 1.3308 1.7986 0.0055 2.1491 1.4654 13.3923 3.2275 2.3822 27.2517 13.3936 17.1260 42.9716 25.3112 19.6254 33.1747 23.8479 14.5835 30.7880 33.7910 40.7562 79.3929 78.8415 225.4569 6.8096 46.0714 183.6424 25.5577 24.7504 59.7853 282.7950 28.7520 24.9726 32.1259 2.6595 176.3083 170.8311 220.1845 44.8106 161.5342 128.8765 49.6628 79.3599 259.4529 93.8708 56.0563 27.3371 78.3268 39.0022 19.6018 68.8253 225.0430 75.8348 270.9804 15.5885 10.2077 70.0195 338.5220 162.9716 153.5473 558.3159 748.4421 482.7128 359.6381 183.3480 163.5312 300.5719 232.4428 130.3251 158.9311 433.6316 126.0811 179.8284 141.2632 136.5003 217.9555 446.5524 30.9834 89.0834 119.2197 105.0562 199.9496 79.1817 159.8189 102.6209 48.2328 82.2202 6.2207 134.3884 37.9943 145.9153 1159.6250 469.8196 1815.9861 1273.5121 2438.0085 1276.6862 419.0659 1275.1665 724.1084 2248.4950 125.0752 736.8506 1532.4925 604.6928 1338.3959 586.5470 674.4136 789.2348 1240.6193 353.9769 1040.5591 576.8422 432.5577 182.6572 125.2803 140.7351 120.0846 130.8997 126.3939 149.9310 0.02 0.03 -0.12 0.05 -0.03 -0.08 -0.00 0.01 -0.03 0.04 -0.04 -0.06 0.04 -0.03 -0.04 -0.05 -0.04 -0.02 -0.01 0.00 -0.02 0.04 -0.03 -0.05 -0.02 -0.04 0.10 0.03 -0.00 -0.11 -0.00 0.02 -0.08 0.00 -0.00 -0.04 -0.01 -0.02 -0.04 0.04 -0.02 0.02 0.03 -0.04 0.04 0.04 -0.05 0.04 -0.06 0.06 0.06 -0.05 0.06 0.04 -0.06 0.07 0.02 -0.02 0.05 -0.00 -0.03 0.05 -0.03 -0.00 0.02 0.00 0.09 -0.07 -0.03 0.11 -0.07 -0.06 0.07 -0.06 0.00 -0.06 0.06 -0.09 -0.05 0.05 -0.09 -0.05 0.05 -0.10 0.02 0.03 -0.02 0.01 0.03 -0.03 0.01 0.02 -0.03 -0.02 -0.03 -0.03 -0.05 -0.05 -0.03 0.00 -0.03 -0.01 0.03 -0.05 0.06 0.00 -0.01 0.06 0.03 -0.07 0.10 0.01 -0.07 0.43 -0.00 -0.03 0.23 -0.08 0.20 0.61 -0.07 0.08 -0.05 -0.07 0.08 -0.07 0.04 0.01 -0.11 -0.10 0.11 -0.06 0.02 0.01 -0.11 -0.04 0.16 -0.02 0.07 -0.08 0.02 0.03 0.03 0.05 -0.15 0.11 0.01 -0.07 0.18 -0.04 -0.02 -0.10 -0.00 -0.01 -0.11 0.01 -0.09 0.03 0.04 -0.04 -0.09 -0.03 0.04 -0.08 -0.00 0.02 -0.06 0.01 0.02 -0.05 0.11 0.02 -0.03 0.09 -0.01 0.20 -0.10 0.02 0.06 -0.05 -0.08 0.18 -0.10 -0.03 -0.09 0.01 -0.05 -0.02 -0.06 0.01 -0.08 0.02 -0.03 0.15 -0.11 -0.02 0.14 -0.09 -0.04 0.17 -0.11 0.24 -0.06 0.08 0.28 -0.05 -0.03 0.21 -0.08 0.08 -0.02 0.12 -0.04 -0.01 0.09 -0.03 -0.05 0.14 -0.02 -0.01 -0.14 0.05 0.01 -0.16 0.06 -0.01 -0.12 0.07 0.03 0.02 0.04 0.01 -0.02 0.02 0.05 0.07 0.06 0.09 -0.14 0.05 0.06 -0.13 0.04 0.07 -0.21 0.06 -0.14 -0.04 -0.08 -0.11 0.05 -0.04 -0.16 -0.09 -0.10 0.02 -0.06 0.01 0.01 -0.01 -0.02 -0.00 0.08 -0.02 0.01 -0.05 0.01 -0.09 0.13 -0.01 -0.04 -0.02 -0.12 -0.05 0.01 -0.02 -0.00 -0.02 -0.10 0.04 -0.07 -0.07 0.04 -0.06 -0.05 -0.01 0.06 0.27 -0.06 0.07 0.23 0.03 -0.04 -0.01 -0.04 0.07 0.21 -0.09 0.01 -0.04 -0.09 0.03 -0.03 -0.01 -0.00 -0.07 0.03 -0.05 0.00 0.14 0.01 -0.05 0.10 0.03 0.03 0.22 0.01 -0.04 -0.07 -0.04 0.09 -0.05 -0.03 0.02 -0.09 -0.03 0.06 0.01 -0.05 -0.12 0.01 -0.04 -0.13 0.05 -0.04 -0.10 0.04 -0.02 0.04 0.06 -0.06 0.01 0.04 0.00 0.08 0.02 -0.05 -0.13 0.04 -0.05 -0.06 -0.03 -0.04 -0.12 -0.06 0.18 0.08 -0.13 0.23 0.08 -0.05 0.13 0.04 0.08 -0.10 0.12 0.04 -0.03 0.20 0.18 -0.07 0.19 0.04 0.03 0.14 0.00 -0.00 0.13 0.05 0.03 0.17 -0.01 0.06 -0.11 -0.03 0.01 -0.13 -0.06 -0.10 -0.20 -0.07 0.01 -0.04 -0.06 -0.00 -0.09 -0.06 -0.01 -0.09 -0.13 0.02 -0.04 -0.00 -0.03 -0.10 0.03 0.13 -0.11 -0.02 0.07 0.09 -0.05 -0.05 0.13 0.10 -0.07 0.07 0.10 -0.08 0.04 0.02 0.01 -0.07 0.08 -0.01 -0.02 0.10 -0.06 0.11 0.02 0.01 -0.06 0.00 0.05 0.12 -0.03 -0.00 0.08 -0.06 -0.06 0.20 -0.02 0.01 0.16 0.09 -0.11 -0.06 0.06 -0.02 -0.04 0.18 -0.05 -0.12 -0.04 -0.09 -0.06 -0.04 -0.08 -0.09 -0.05 -0.10 -0.03 -0.04 -0.05 -0.10 -0.02 -0.02 -0.16 -0.01 -0.10 -0.10 -0.13 0.09 0.05 -0.15 0.09 0.10 -0.11 0.08 0.02 0.01 0.01 -0.20 0.01 0.06 -0.14 -0.00 0.06 -0.15 0.12 -0.09 0.13 0.14 -0.08 0.11 0.04 -0.08 0.15 -0.01 0.14 0.02 -0.01 0.09 -0.02 0.04 0.27 0.05 -0.03 0.10 -0.02 -0.04 0.03 -0.03 -0.01 0.17 -0.01 -0.02 0.02 0.06 -0.01 0.06 -0.01 -0.06 0.11 0.13 -0.04 -0.11 -0.01 -0.04 -0.09 -0.10 0.01 0.11 -0.03 -0.10 -0.16 0.01 0.08 0.08 -0.06 0.05 0.14 0.01 0.06 -0.08 0.10 0.04 -0.03 -0.04 0.08 0.01 0.12 0.04 -0.04 0.07 0.04 -0.01 0.08 0.03 0.00 0.07 0.06 0.05 0.10 0.03 -0.00 0.07 0.10 -0.01 0.08 0.01 0.01 0.10 0.05 -0.09 -0.06 0.01 -0.13 -0.04 -0.04 -0.17 -0.07 -0.00 -0.23 -0.13 -0.13 -0.20 -0.05 -0.04 0.23 -0.11 -0.03 0.20 -0.07 -0.05 0.21 -0.08 -0.00 0.09 -0.02 -0.03 0.09 -0.07 -0.02 0.03 -0.04 -0.04 -0.09 0.07 -0.07 -0.03 0.10 -0.03 -0.13 -0.03 -0.08 0.07 -0.03 -0.06 0.01 -0.06 -0.08 0.10 -0.00 0.04 0.06 0.05 0.06 0.10 0.01 0.04 0.01 0.01 0.01 -0.16 -0.00 0.01 -0.10 0.04 0.06 -0.14 0.03 -0.01 -0.18 -0.17 -0.01 -0.01 -0.14 0.04 -0.08 -0.09 -0.01 0.02 -0.08 0.00 0.07 -0.05 -0.04 -0.08 -0.13 -0.15 0.09 0.13 -0.14 0.07 0.08 0.05 0.10 0.05 -0.19 0.05 0.14 0.07 0.09 0.06 0.05 -0.07 0.03 0.05 0.04 -0.03 -0.02 -0.16 0.05 -0.12 0.04 -0.08 -0.07 0.09 -0.09 0.26 0.11 -0.01 0.24 0.08 0.00 -0.08 -0.01 -0.02 0.27 0.10 -0.01 0.03 0.04 -0.04 0.01 0.04 -0.04 -0.02 -0.21 0.07 -0.03 -0.19 0.05 -0.08 0.11 -0.04 -0.09 0.10 0.00 -0.05 0.14 -0.07 -0.12 0.06 0.04 -0.10 0.04 0.02 -0.13 0.06 0.02 -0.04 -0.05 -0.04 -0.06 -0.07 -0.02 -0.06 -0.02 -0.04 0.05 0.05 -0.05 0.05 0.06 -0.06 0.01 0.04 -0.01 -0.03 -0.08 -0.00 -0.03 -0.08 -0.01 -0.02 -0.08 -0.00 0.03 -0.18 0.07 -0.03 -0.15 0.09 0.01 -0.19 0.07 -0.01 -0.13 -0.02 0.08 -0.04 -0.02 -0.03 -0.06 -0.03 -0.08 0.04 0.05 -0.10 0.05 0.04 -0.10 -0.00 0.05 0.19 0.17 0.03 0.17 0.10 0.02 0.20 0.16 0.01 -0.10 0.09 -0.01 -0.09 0.05 -0.00 0.06 -0.06 -0.01 -0.11 0.10 -0.01 -0.01 -0.02 -0.02 -0.00 -0.18 0.00 -0.00 -0.13 0.05 -0.02 0.08 0.05 -0.04 -0.12 -0.05 0.00 -0.08 -0.05 -0.08 0.09 -0.03 -0.07 0.06 -0.00 -0.02 -0.14 -0.00 -0.03 0.07 -0.02 -0.05 -0.15 0.04 -0.05 -0.14 0.05 -0.03 0.07 0.11 -0.02 0.09 0.09 0.16 0.07 -0.06 0.16 0.06 -0.07 0.15 0.02 -0.01 0.04 0.15 -0.14 0.06 0.12 -0.14 -0.00 0.11 -0.08 0.03 0.06 -0.09 0.00 0.03 -0.03 0.04 0.12 -0.08 0.07 -0.01 -0.00 0.09 -0.08 -0.00 0.15 0.02 -0.05 -0.08 -0.06 0.07 -0.09 -0.03 0.05 -0.05 -0.09 0.04 -0.08 -0.02 0.06 -0.10 -0.04 0.09 -0.08 0.01 0.08 -0.15 0.08 0.01 -0.12 0.08 -0.00 -0.18 0.07 -0.01 0.21 0.05 -0.08 0.16 0.10 -0.09 0.22 0.04 -0.03 0.10 0.02 0.02 0.07 -0.07 0.01 0.14 0.06 0.04 -0.12 -0.04 0.13 -0.11 -0.05 0.12 0.00 -0.18 0.00 -0.12 -0.06 0.13 -0.02 -0.16 -0.01 -0.18 0.09 0.03 -0.13 -0.05 -0.07 0.06 -0.02 -0.05 -0.03 -0.10 0.21 -0.03 -0.09 0.20 0.10 0.14 -0.06 0.09 0.14 -0.07 -0.04 -0.11 0.13 0.06 0.15 -0.05 -0.12 -0.04 -0.07 -0.08 -0.02 -0.06 0.07 -0.07 -0.06 0.04 -0.06 -0.08 0.11 -0.04 0.05 0.11 -0.04 0.03 0.09 -0.05 0.06 0.09 -0.05 0.00 0.08 -0.04 -0.00 0.09 -0.04 -0.02 0.05 0.03 0.02 0.04 0.04 0.00 0.07 0.02 0.03 -0.06 -0.09 -0.00 -0.03 -0.16 0.00 0.01 -0.05 0.01 -0.02 0.03 0.01 -0.00 -0.04 -0.01 -0.06 0.06 0.04 -0.08 -0.06 -0.02 -0.09 -0.04 -0.02 -0.05 -0.07 -0.04 0.01 -0.07 -0.13 0.05 0.01 -0.10 -0.01 -0.09 -0.14 0.12 -0.01 0.02 0.12 -0.03 0.01 0.13 0.01 0.02 -0.11 0.27 0.07 -0.13 0.24 0.04 -0.12 0.29 0.07 0.06 -0.05 -0.07 0.05 -0.04 -0.04 -0.16 0.06 0.02 0.08 -0.02 -0.08 -0.18 0.02 0.09 0.10 0.05 0.15 0.13 0.08 -0.13 -0.13 -0.04 -0.05 0.06 -0.02 0.25 0.06 -0.04 0.20 -0.08 -0.04 0.03 -0.09 -0.04 0.03 0.05 -0.03 0.18 -0.04 -0.05 0.03 0.19 0.09 -0.10 0.15 0.05 -0.12 -0.13 -0.07 -0.03 -0.13 -0.08 -0.02 0.13 0.01 0.05 0.11 0.06 0.05 0.17 0.04 0.01 -0.10 -0.05 -0.08 -0.10 -0.03 -0.09 -0.08 -0.03 -0.10 -0.16 0.01 -0.07 -0.13 0.00 -0.04 -0.08 0.04 -0.04 0.07 0.04 -0.14 0.05 0.01 -0.06 0.08 0.08 -0.08 -0.09 -0.01 0.09 -0.10 -0.01 0.05 -0.06 0.03 0.12 -0.03 0.02 0.02 0.02 0.06 -0.03 -0.09 -0.02 0.00 -0.10 -0.08 0.01 -0.09 -0.07 0.02 -0.11 -0.10 0.01 0.09 0.13 0.04 0.02 0.05 0.01 0.08 0.08 0.06 0.02 -0.09 -0.05 0.05 -0.05 0.04 0.06 -0.15 -0.09 0.02 0.03 -0.17 0.01 0.04 -0.06 0.10 0.06 0.09 0.12 0.04 -0.17 0.07 0.00 0.18 -0.03 0.06 -0.06 0.02 -0.07 -0.05 0.03 -0.04 0.13 0.09 0.10 -0.10 0.08 0.11 -0.02 -0.01 0.03 0.04 0.05 0.04 0.08 0.09 0.12 -0.04 -0.03 0.04 0.06 0.01 -0.13 -0.02 0.00 -0.18 -0.06 0.04 -0.05 0.05 -0.02 -0.08 0.04 -0.08 0.03 0.19 -0.06 0.05 0.09 -0.13 0.06 0.14 0.11 -0.04 -0.05 0.11 -0.08 0.01 0.07 -0.05 -0.05 0.02 -0.02 0.19 -0.01 -0.02 0.15 0.01 -0.04 0.18 0.11 0.07 -0.13 0.12 0.09 -0.18 0.08 0.06 -0.12 -0.16 0.01 -0.07 -0.15 -0.02 -0.07 -0.15 -0.00 -0.07 0.15 0.11 0.13 0.13 0.13 0.12 0.14 0.09 0.10 -0.12 -0.12 0.01 -0.11 -0.06 0.04 -0.10 -0.09 0.03 0.02 0.06 -0.06 0.05 0.03 -0.06 -0.02 -0.03 -0.12 -0.05 0.06 -0.04 -0.05 0.06 -0.05 -0.07 -0.00 -0.07 -0.08 -0.17 -0.07 -0.08 -0.14 -0.09 -0.02 0.01 -0.01 -0.09 -0.14 -0.08 -0.01 0.08 -0.08 0.09 0.05 -0.12 0.06 -0.14 0.00 0.06 0.07 -0.07 -0.06 -0.09 -0.03 -0.08 -0.10 -0.03 0.03 -0.01 0.05 -0.03 -0.02 0.02 -0.08 -0.07 -0.02 0.06 -0.02 0.03 0.14 -0.18 0.07 0.14 -0.23 0.03 0.07 -0.02 -0.07 0.03 -0.06 -0.07 0.03 0.03 0.01 -0.00 0.09 0.05 0.10 -0.05 0.13 -0.00 -0.07 0.07 -0.02 -0.00 0.03 0.02 -0.09 0.15 -0.03 0.19 -0.00 -0.02 0.20 -0.01 -0.02 0.18 0.00 -0.18 -0.01 -0.18 -0.23 -0.03 -0.05 -0.16 0.04 -0.12 -0.05 0.20 0.03 -0.03 0.12 -0.03 -0.04 0.15 -0.01 -0.11 -0.04 -0.05 -0.12 -0.05 -0.04 -0.06 -0.04 -0.06 0.06 -0.08 -0.02 0.04 -0.05 0.00 0.09 -0.08 -0.00 -0.08 0.17 0.09 -0.06 0.11 0.08 -0.08 0.18 0.05 0.07 -0.03 -0.02 0.08 0.00 -0.05 0.03 -0.03 -0.01 0.02 -0.12 0.16 -0.00 -0.02 0.10 0.12 -0.04 -0.07 -0.02 -0.06 0.14 0.06 -0.01 -0.07 -0.09 -0.09 -0.01 -0.12 0.01 -0.01 -0.10 0.10 -0.01 0.15 -0.01 -0.09 0.13 -0.02 -0.07 0.27 -0.09 0.05 0.27 -0.04 0.01 0.14 -0.02 -0.13 0.17 -0.05 0.04 -0.16 -0.02 -0.02 -0.09 0.00 -0.01 -0.10 0.08 -0.01 -0.10 0.04 0.02 0.04 -0.06 -0.00 0.04 -0.07 -0.01 0.02 -0.13 0.08 -0.08 -0.07 -0.10 -0.11 -0.01 -0.10 -0.02 -0.06 -0.07 -0.17 0.15 -0.05 -0.12 0.15 -0.00 -0.13 0.16 -0.04 -0.01 0.02 0.03 0.02 0.02 -0.04 -0.01 0.01 0.01 -0.07 0.13 0.17 -0.04 0.09 0.21 -0.11 0.06 0.11 0.18 -0.02 -0.13 0.12 -0.01 -0.10 0.07 -0.00 -0.08 -0.01 -0.02 0.20 0.08 -0.04 0.11 -0.14 -0.03 0.11 0.02 -0.01 -0.04 -0.01 -0.04 -0.05 0.03 0.01 -0.02 -0.02 0.04 0.03 -0.04 0.01 -0.01 -0.06 -0.01 0.01 0.06 -0.02 -0.02 0.04 0.03 0.05 -0.11 -0.07 0.01 0.14 -0.02 -0.02 -0.04 -0.08 -0.01 0.09 -0.09 -0.07 -0.03 0.21 0.08 0.08 0.03 0.04 -0.03 -0.06 -0.11 -0.03 -0.05 -0.10 -0.10 0.07 -0.00 -0.08 0.04 0.03 -0.03 -0.03 -0.01 -0.03 0.04 0.02 -0.05 0.23 0.06 -0.06 0.21 0.05 0.09 -0.08 0.03 0.02 -0.10 -0.00 -0.01 0.01 -0.02 0.00 -0.03 -0.03 -0.05 -0.09 0.10 0.07 -0.12 -0.01 0.03 -0.06 -0.03 0.11 -0.08 -0.06 0.01 0.17 0.02 -0.01 0.16 0.04 -0.02 0.18 0.01 -0.08 0.01 0.22 -0.10 0.01 0.25 -0.05 -0.00 0.17 -0.12 0.11 0.07 -0.12 0.04 -0.02 -0.07 0.05 0.01 -0.04 0.02 0.12 -0.04 0.03 0.11 0.01 0.00 0.08 -0.09 -0.12 -0.09 -0.10 -0.06 -0.04 -0.07 -0.15 -0.08 0.02 -0.08 -0.02 0.06 -0.12 -0.02 0.03 -0.03 -0.06 0.14 -0.04 -0.01 0.12 -0.09 -0.04 0.15 -0.01 0.00 0.09 -0.03 -0.17 0.07 -0.00 -0.09 0.05 -0.02 -0.06 0.17 -0.06 -0.16 0.10 -0.07 -0.07 0.05 0.06 -0.14 0.05 0.09 0.12 -0.12 -0.06 -0.07 -0.10 -0.09 -0.01 -0.08 -0.04 0.08 0.07 -0.02 0.07 -0.02 -0.03 0.01 -0.09 -0.10 -0.04 0.08 -0.03 0.03 -0.00 0.07 0.10 -0.03 0.06 0.09 -0.12 -0.03 -0.09 -0.09 -0.03 -0.07 -0.04 0.03 0.24 -0.01 0.05 0.10 -0.10 0.06 0.18 0.02 0.06 -0.16 0.02 0.00 -0.05 0.01 0.04 -0.13 -0.11 -0.11 0.12 -0.07 -0.08 0.09 -0.04 -0.11 0.15 0.09 0.09 0.15 0.10 0.05 0.15 0.15 0.09 0.07 0.04 0.06 -0.11 0.04 0.07 -0.07 0.03 0.04 -0.12 -0.18 -0.10 -0.13 -0.21 -0.10 -0.11 -0.17 -0.09 -0.13 0.11 0.01 0.04 0.09 0.00 0.04 0.15 0.07 0.07 0.15 0.04 -0.09 0.11 0.03 -0.10 0.11 -0.06 -0.09 0.04 -0.02 0.00 0.04 0.01 -0.05 -0.02 -0.02 0.02 -0.00 -0.03 0.01 -0.01 -0.01 -0.05 0.06 0.03 -0.11 -0.02 -0.11 0.04 0.02 0.01 -0.11 0.05 0.06 0.03 0.04 0.04 -0.00 0.06 0.18 0.03 -0.06 0.01 0.07 -0.07 -0.00 0.04 0.16 -0.06 0.05 0.09 -0.06 -0.00 -0.07 0.00 -0.02 0.16 -0.06 0.03 0.11 0.08 0.02 0.01 0.02 -0.02 0.06 0.25 0.00 0.06 0.19 0.05 0.01 0.04 -0.05 0.01 0.01 -0.03 -0.00 0.04 -0.05 0.10 -0.01 0.08 0.14 -0.05 0.05 0.03 -0.00 0.01 0.16 0.01 0.02 0.09 -0.01 -0.01 0.11 0.00 0.00 -0.10 -0.06 0.03 -0.12 -0.07 0.10 -0.08 -0.05 0.03 -0.14 -0.09 -0.12 -0.12 -0.04 -0.01 -0.15 -0.04 -0.07 -0.06 -0.09 -0.17 -0.07 -0.17 -0.11 -0.02 -0.00 -0.10 -0.17 -0.01 0.19 -0.08 -0.03 0.12 -0.28 -0.04 0.11 0.01 -0.03 0.02 0.05 -0.02 0.03 0.02 0.01 0.00 0.04 -0.01 -0.00 0.06 0.03 0.01 0.02 -0.06 -0.02 -0.15 -0.07 -0.16 -0.14 -0.10 -0.19 0.06 0.04 0.02 -0.20 -0.06 -0.16 0.02 0.04 0.04 -0.01 -0.02 -0.02 0.05 0.11 0.03 0.06 0.07 0.00 0.01 -0.10 0.12 0.04 -0.09 0.05 -0.02 0.03 0.02 -0.06 0.01 0.01 0.02 -0.14 0.05 0.01 0.02 0.01 -0.07 -0.00 0.02 -0.03 -0.02 -0.00 0.06 0.06 -0.00 0.05 0.05 -0.00 -0.02 -0.21 -0.11 -0.07 -0.09 -0.06 0.09 -0.20 -0.10 0.03 -0.02 0.05 0.02 -0.01 0.04 0.03 -0.03 0.06 0.07 0.07 0.00 0.05 0.07 -0.04 0.01 -0.01 -0.02 0.33 0.25 -0.01 0.37 0.34 -0.18 0.16 0.17 0.03 -0.03 0.03 0.01 -0.02 0.01 0.01 -0.04 0.03 0.01 -0.12 -0.06 -0.04 -0.13 -0.09 -0.02 -0.07 -0.03 -0.03 -0.03 -0.02 0.00 -0.03 -0.01 0.01 -0.05 -0.08 -0.01 -0.23 0.03 -0.04 -0.17 0.04 -0.02 -0.22 0.07 -0.07 0.02 0.02 0.00 0.02 -0.00 -0.01 0.02 0.02 0.00 0.01 -0.03 0.00 0.00 -0.02 -0.00 0.00 -0.04 -0.02 -0.01 -0.00 -0.01 -0.01 -0.07 0.02 0.01 -0.07 0.07 -0.08 -0.02 -0.02 0.17 0.06 -0.03 -0.00 0.02 0.15 -0.01 0.01 0.14 0.02 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.02 0.10 0.05 -0.00 -0.01 -0.14 -0.06 -0.03 -0.14 -0.07 -0.03 0.17 0.01 -0.05 0.14 -0.04 -0.04 -0.05 0.05 0.08 -0.02 0.02 0.03 -0.11 0.04 0.09 -0.12 -0.04 -0.07 -0.12 -0.03 -0.09 -0.12 -0.03 -0.08 -0.01 0.09 0.01 -0.03 0.09 0.01 -0.02 0.09 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.03 -0.00 -0.03 -0.04 -0.00 -0.04 -0.01 0.01 -0.03 0.02 0.03 0.03 0.06 0.02 0.01 0.08 0.02 0.00 0.18 0.14 -0.03 0.13 0.10 -0.03 0.35 0.40 0.10 -0.01 -0.02 -0.00 -0.05 -0.03 -0.01 -0.03 -0.08 0.00 0.13 -0.10 -0.00 0.13 -0.12 0.02 0.17 -0.07 0.01 -0.18 -0.07 -0.11 -0.18 -0.09 -0.12 -0.00 -0.04 0.06 -0.18 -0.06 -0.11 0.00 -0.07 0.06 -0.03 -0.06 0.06 0.13 0.05 0.02 0.22 0.09 0.01 -0.03 -0.05 -0.18 -0.04 -0.04 -0.13 -0.04 -0.02 -0.01 -0.01 -0.00 -0.00 -0.03 -0.04 -0.13 -0.11 0.00 -0.02 0.24 0.11 0.05 0.12 0.05 0.02 0.22 0.06 -0.01 0.19 0.02 0.00 0.01 -0.10 0.10 0.01 -0.06 0.04 0.01 -0.26 0.30 -0.19 -0.06 -0.13 -0.20 -0.04 -0.15 -0.16 -0.07 -0.09 0.01 0.02 -0.02 0.00 0.01 0.00 0.01 0.03 -0.03 0.04 0.00 0.01 0.03 0.00 0.04 0.04 0.01 0.02 -0.00 -0.08 0.07 -0.01 -0.07 0.06 0.00 -0.08 0.07 -0.03 -0.04 0.01 -0.07 -0.09 0.07 0.07 -0.00 0.02 0.05 0.04 0.02 0.03 0.02 0.02 0.08 0.09 0.04 0.02 0.05 0.02 -0.07 0.00 -0.00 0.05 0.09 0.10 -0.19 0.16 0.01 -0.21 0.14 0.04 -0.17 0.11 -0.02 -0.07 -0.01 -0.02 -0.07 -0.01 0.01 -0.03 -0.03 -0.01 -0.02 -0.06 0.00 -0.05 -0.00 0.02 0.01 0.03 -0.06 -0.04 -0.00 -0.02 0.12 0.13 0.05 -0.03 -0.02 0.09 -0.02 -0.01 0.11 0.01 0.00 -0.02 0.02 -0.01 -0.00 -0.03 -0.02 0.08 0.04 -0.01 0.00 -0.08 -0.00 -0.05 -0.01 0.07 -0.00 0.11 0.18 0.04 0.11 0.19 0.03 -0.04 0.05 0.09 -0.02 0.04 0.04 -0.07 0.10 0.01 -0.17 -0.11 -0.11 -0.21 -0.02 -0.13 -0.06 -0.11 -0.03 0.02 -0.02 -0.02 0.02 -0.01 -0.05 0.01 -0.05 -0.03 -0.01 0.00 -0.01 -0.01 -0.02 0.00 0.01 0.01 -0.03 0.07 -0.02 -0.11 0.09 0.01 -0.05 0.05 0.01 -0.08 0.03 -0.00 0.05 0.06 -0.06 0.07 0.08 0.03 0.08 -0.12 -0.13 -0.01 -0.09 -0.10 -0.00 -0.31 -0.51 -0.16 0.02 -0.00 -0.01 -0.05 -0.06 -0.04 -0.03 -0.14 -0.01 0.07 -0.03 -0.01 0.08 -0.03 -0.03 0.05 -0.02 0.01 0.09 0.10 0.14 0.10 0.11 0.09 0.02 0.02 -0.04 0.06 0.07 0.15 0.01 -0.00 -0.04 0.01 0.04 0.03 -0.01 -0.15 -0.03 -0.00 0.02 0.02 -0.06 0.04 -0.02 -0.06 0.04 -0.05 0.02 -0.00 -0.01 0.02 -0.01 -0.01 -0.05 0.04 0.00 0.03 -0.01 -0.00 -0.01 -0.14 -0.03 0.01 -0.12 -0.01 -0.00 0.05 0.02 0.01 0.07 0.01 -0.03 -0.08 -0.02 -0.03 -0.07 -0.04 -0.03 -0.10 0.02 -0.03 0.12 -0.09 -0.01 0.07 -0.04 -0.05 0.12 -0.09 -0.00 -0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.04 -0.00 0.03 -0.10 0.16 0.08 -0.10 0.05 0.00 -0.11 0.21 0.02 0.02 -0.01 0.03 0.01 0.01 0.01 0.02 0.00 0.01 0.01 0.03 0.02 0.00 0.03 0.02 0.02 0.03 0.00 -0.03 -0.03 0.00 -0.02 -0.03 -0.08 -0.20 -0.09 -0.07 0.14 0.08 -0.11 0.15 0.09 0.13 0.64 0.25 0.02 -0.03 -0.00 0.03 -0.00 0.02 0.02 -0.04 -0.01 0.07 -0.04 -0.13 0.05 -0.01 -0.06 0.04 -0.01 0.04 0.16 -0.06 -0.12 -0.02 0.05 0.01 -0.03 -0.09 -0.07 0.06 0.03 0.04 -0.06 0.05 -0.03 -0.07 -0.14 0.07 -0.02 -0.10 0.07 0.12 -0.05 -0.03 0.17 -0.01 -0.03 -0.05 -0.15 0.14 0.05 -0.02 -0.02 0.10 0.03 0.07 0.02 -0.03 0.03 -0.07 0.15 -0.02 -0.01 0.19 -0.01 -0.00 0.10 -0.02 -0.02 0.12 0.05 0.05 0.18 -0.11 0.02 0.09 0.02 0.05 0.01 0.05 -0.04 0.09 -0.03 -0.04 -0.03 -0.01 0.00 -0.03 0.02 -0.02 -0.01 -0.00 0.01 0.02 -0.01 -0.01 0.01 0.06 0.03 0.03 -0.02 0.01 0.04 0.05 0.02 0.02 0.06 -0.01 -0.01 0.01 0.07 0.09 0.15 0.03 0.13 0.13 0.03 0.06 0.14 0.08 -0.02 -0.12 0.09 -0.02 -0.13 -0.08 -0.36 -0.25 -0.06 -0.04 0.01 -0.04 -0.01 0.02 -0.19 -0.34 -0.09 -0.09 -0.02 0.01 -0.10 -0.02 -0.03 -0.13 -0.04 0.01 -0.04 -0.07 -0.07 -0.05 -0.05 -0.05 -0.04 -0.08 -0.09 0.01 -0.11 -0.06 -0.03 -0.14 -0.04 0.00 -0.04 -0.06 0.02 -0.07 0.05 0.07 -0.01 -0.03 0.11 -0.07 0.06 0.11 -0.06 0.10 -0.15 -0.01 -0.03 -0.11 -0.01 0.01 0.10 -0.07 0.00 -0.14 -0.02 -0.02 0.03 -0.09 0.07 0.04 -0.12 0.06 0.07 -0.06 -0.04 0.04 -0.12 -0.01 -0.00 0.15 0.04 -0.01 0.16 0.11 0.04 0.29 -0.14 -0.04 0.13 -0.05 -0.03 0.08 0.01 -0.04 0.14 -0.08 -0.01 -0.01 -0.03 -0.00 -0.01 -0.02 0.01 0.00 -0.02 -0.02 -0.00 0.04 -0.03 0.01 0.05 -0.02 -0.01 0.01 0.02 -0.00 -0.01 0.03 0.01 0.02 0.01 -0.02 -0.02 0.03 -0.05 -0.07 0.08 -0.08 -0.08 0.03 -0.04 -0.06 -0.05 -0.01 0.14 -0.07 -0.04 0.15 0.02 0.11 0.19 -0.13 -0.05 0.03 -0.12 -0.02 0.05 -0.27 -0.41 -0.08 0.02 0.13 -0.00 -0.01 0.05 -0.03 0.05 0.18 0.02 0.10 -0.00 -0.10 0.08 0.02 -0.03 0.00 -0.07 -0.02 0.20 -0.02 -0.10 0.04 -0.08 -0.03 0.01 0.02 0.05 -0.02 -0.01 0.08 -0.05 0.01 0.10 0.11 0.06 -0.06 0.08 0.03 -0.04 -0.06 0.06 0.09 -0.15 0.06 0.03 0.10 0.07 -0.12 -0.03 0.05 0.07 -0.03 -0.07 0.10 -0.04 -0.12 0.07 -0.07 0.06 0.17 0.01 0.24 0.07 0.04 -0.01 0.01 0.03 0.00 0.04 0.06 0.01 -0.01 -0.06 0.00 0.01 -0.06 0.01 -0.01 -0.06 0.02 -0.03 0.03 0.01 0.02 0.01 0.01 0.00 0.01 -0.01 0.01 -0.03 0.04 -0.05 -0.05 0.06 -0.02 -0.03 0.03 -0.08 0.04 0.02 0.02 0.05 0.01 0.04 0.01 0.02 0.01 -0.05 -0.09 -0.10 -0.02 -0.17 -0.07 -0.06 -0.02 -0.04 0.11 -0.07 -0.13 0.03 -0.02 -0.04 -0.03 -0.60 -0.24 0.03 -0.05 0.00 0.01 -0.05 -0.00 -0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 0.01 0.03 0.00 -0.06 -0.04 -0.06 0.03 -0.12 -0.06 0.00 -0.07 0.01 0.01 0.09 -0.03 0.11 -0.15 0.04 0.06 0.04 0.03 0.08 0.04 -0.01 -0.02 0.14 0.06 0.05 -0.08 -0.11 0.01 -0.06 -0.10 0.02 -0.08 0.05 -0.04 -0.07 0.10 -0.05 -0.03 -0.10 0.02 0.02 0.05 -0.04 -0.06 -0.07 -0.14 0.17 -0.03 -0.19 0.13 0.06 0.01 -0.08 0.03 -0.07 -0.02 0.02 -0.09 0.07 0.01 -0.06 0.07 0.04 -0.31 0.37 0.01 0.03 0.11 0.03 0.03 0.08 0.01 0.06 0.03 -0.07 -0.03 -0.12 -0.00 -0.02 -0.09 0.03 0.00 -0.09 -0.02 0.09 -0.06 -0.05 0.10 0.01 0.00 0.09 -0.12 0.02 -0.02 -0.00 0.02 -0.01 0.02 -0.00 0.00 0.02 -0.03 0.03 0.10 -0.07 0.07 0.11 0.01 0.01 0.07 -0.07 0.02 0.05 -0.01 -0.01 -0.01 -0.09 0.13 0.03 0.08 -0.05 -0.02 0.10 -0.02 -0.02 -0.02 -0.29 -0.09 0.01 -0.03 -0.01 0.03 0.02 0.02 0.03 0.01 0.01 0.05 0.12 -0.14 0.05 0.08 -0.04 0.06 0.00 0.10 0.09 0.29 -0.20 0.00 0.10 0.02 -0.01 0.03 -0.04 0.02 -0.08 0.04 0.00 -0.09 0.06 0.07 -0.05 -0.01 0.06 -0.06 0.02 0.16 0.05 0.04 0.12 0.06 -0.01 0.06 -0.02 -0.04 0.14 0.07 0.03 0.03 -0.09 0.06 0.02 -0.10 0.06 0.01 -0.09 0.01 -0.02 -0.10 -0.01 0.03 0.06 -0.07 0.00 0.10 -0.03 0.10 0.23 -0.28 -0.09 -0.08 -0.09 -0.15 -0.00 -0.08 0.02 -0.07 -0.05 0.13 0.01 0.13 0.00 -0.03 0.09 0.01 -0.02 0.09 -0.01 0.00 0.04 -0.00 -0.01 0.04 0.01 0.00 0.02 -0.06 -0.05 0.03 -0.08 -0.04 -0.02 -0.02 -0.05 0.04 -0.10 0.08 -0.01 -0.21 0.13 0.02 -0.07 0.04 -0.06 -0.08 0.08 -0.05 0.01 0.10 -0.12 -0.04 0.38 -0.02 -0.03 0.02 0.00 -0.07 -0.05 -0.02 -0.09 -0.14 -0.04 -0.10 -0.13 0.01 -0.07 -0.03 -0.02 -0.18 -0.17 0.01 0.05 0.14 -0.04 0.05 0.11 0.05 0.00 -0.01 0.01 0.08 0.29 -0.09 0.02 0.01 -0.01 0.00 -0.06 -0.04 0.04 -0.08 0.04 -0.06 -0.03 -0.00 -0.05 -0.03 0.05 -0.02 -0.01 0.03 -0.09 -0.07 -0.04 -0.03 -0.05 -0.01 -0.04 -0.06 0.07 -0.11 -0.07 -0.03 0.05 -0.09 0.05 -0.01 -0.12 0.04 -0.05 0.03 -0.05 -0.03 0.01 -0.01 -0.04 0.00 -0.09 -0.02 -0.03 -0.17 -0.11 0.15 -0.30 0.00 -0.15 0.03 -0.02 -0.09 0.00 0.05 -0.14 0.04 0.01 -0.00 0.10 -0.01 -0.00 0.07 -0.04 -0.03 0.08 0.00 0.02 0.05 0.00 0.02 0.05 0.01 0.01 0.03 0.00 0.04 0.01 0.01 0.03 0.03 -0.01 0.00 -0.03 0.08 0.00 0.01 0.15 -0.00 -0.02 0.05 -0.00 0.02 0.07 -0.03 0.05 0.01 -0.06 0.08 0.09 -0.09 0.06 0.07 0.06 -0.08 0.08 0.00 -0.09 0.21 0.42 0.01 0.03 0.11 -0.00 0.00 0.04 -0.01 0.07 0.15 0.01 -0.08 0.16 -0.05 -0.06 0.10 -0.04 0.01 -0.08 -0.03 -0.18 0.41 -0.14 -0.01 -0.08 -0.03 -0.02 -0.15 0.07 0.03 -0.07 -0.01 -0.11 0.07 -0.00 0.03 -0.01 0.04 0.02 -0.02 0.05 0.04 0.00 0.03 0.03 0.03 -0.00 0.03 -0.02 0.00 0.00 0.02 0.04 0.08 -0.04 0.00 0.07 -0.04 0.01 -0.10 -0.03 0.05 -0.12 -0.01 0.03 -0.05 0.04 0.13 -0.01 -0.02 0.06 -0.17 -0.22 0.44 0.08 -0.03 0.03 0.02 0.11 -0.03 0.18 -0.02 0.08 -0.02 0.24 -0.08 -0.07 0.22 -0.07 -0.00 0.24 -0.08 0.01 0.00 0.06 0.02 0.03 0.01 -0.02 -0.02 0.05 0.06 -0.13 -0.22 0.05 -0.09 -0.17 0.05 -0.07 -0.17 0.01 0.03 -0.03 -0.02 0.06 -0.04 -0.06 0.01 -0.03 -0.01 -0.02 -0.05 -0.00 0.01 -0.04 0.04 0.07 -0.01 -0.06 0.02 -0.04 0.02 0.02 -0.02 -0.01 0.17 -0.07 -0.07 0.01 0.01 -0.08 -0.03 0.04 -0.06 -0.11 -0.06 0.05 0.07 0.01 0.09 0.01 -0.08 -0.03 -0.11 0.02 -0.12 0.20 -0.03 -0.02 -0.11 0.02 -0.04 0.02 -0.10 0.03 -0.08 -0.04 0.12 0.05 -0.05 0.04 -0.03 0.03 0.06 -0.00 0.08 -0.01 0.19 0.14 -0.09 0.16 0.10 0.05 -0.06 0.01 0.05 0.18 0.11 0.07 -0.04 -0.03 0.01 -0.05 -0.03 0.11 0.02 -0.01 0.10 0.04 -0.04 -0.06 0.05 0.08 0.01 -0.03 -0.05 -0.23 0.06 0.04 0.08 -0.04 0.08 0.13 -0.10 0.06 0.01 -0.06 0.05 -0.09 -0.13 -0.18 0.04 -0.11 -0.08 0.03 -0.03 -0.13 -0.00 0.01 0.07 0.02 0.04 -0.01 -0.04 -0.02 0.06 -0.04 0.03 0.12 -0.04 -0.01 0.06 -0.03 -0.02 0.09 0.09 -0.11 -0.05 0.18 -0.17 -0.06 0.09 -0.06 -0.00 -0.04 0.05 -0.06 -0.03 0.12 -0.02 -0.05 0.00 -0.06 -0.03 0.01 -0.09 0.06 0.04 -0.07 0.13 0.44 -0.04 -0.05 -0.11 0.01 -0.04 -0.05 -0.04 -0.15 -0.16 -0.00 -0.04 0.06 -0.00 -0.05 0.05 0.04 -0.03 -0.01 -0.09 -0.04 0.17 -0.04 -0.02 -0.04 -0.05 -0.04 -0.06 -0.02 0.01 0.10 0.11 -0.03 0.00 0.02 -0.16 0.00 0.04 -0.11 0.04 -0.04 -0.04 0.16 0.12 -0.09 0.15 0.10 -0.13 -0.07 0.08 0.01 0.14 0.11 -0.00 0.05 0.13 0.02 0.00 0.10 -0.02 0.01 -0.08 -0.07 -0.03 -0.07 0.00 -0.06 -0.10 -0.01 -0.07 -0.06 0.04 -0.07 -0.08 -0.08 0.07 -0.00 -0.11 0.10 0.02 -0.04 0.10 -0.01 -0.01 0.06 0.12 -0.06 0.06 0.07 -0.06 0.00 0.10 0.02 0.01 -0.12 -0.03 0.00 0.01 0.02 0.03 -0.08 -0.00 -0.04 -0.08 -0.02 -0.03 -0.11 0.02 -0.03 -0.08 0.21 -0.08 -0.06 0.40 -0.13 -0.14 0.14 -0.05 -0.01 -0.05 0.01 -0.03 -0.06 0.09 0.03 0.12 0.23 0.10 0.09 -0.03 0.07 -0.01 -0.00 0.05 0.11 -0.02 0.18 -0.03 -0.07 0.01 -0.03 -0.06 0.00 -0.08 -0.18 -0.05 0.11 -0.03 -0.02 0.10 -0.00 0.00 -0.06 -0.05 -0.02 0.18 -0.12 0.01 -0.06 -0.06 -0.03 -0.02 -0.05 -0.04 -0.01 0.07 0.06 0.04 0.00 0.02 0.07 0.02 0.03 0.06 0.01 0.08 0.03 -0.02 -0.03 0.04 -0.02 -0.03 0.06 0.03 -0.02 0.01 -0.01 -0.03 -0.01 0.04 0.08 -0.00 -0.00 0.05 0.04 -0.03 0.03 0.03 -0.02 0.01 -0.05 0.03 0.00 0.04 -0.13 -0.14 -0.28 0.13 -0.18 -0.05 0.04 0.05 -0.03 0.02 0.03 -0.06 0.05 0.01 -0.02 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.09 -0.02 0.06 -0.06 -0.07 -0.02 -0.03 0.03 0.01 -0.02 0.04 0.03 0.02 0.01 -0.01 -0.03 -0.08 0.03 0.01 -0.16 0.05 0.04 -0.04 0.02 -0.02 -0.02 0.01 0.02 0.01 -0.01 -0.02 -0.12 -0.10 -0.06 0.04 -0.07 -0.01 0.01 0.02 -0.00 0.34 0.66 0.27 -0.01 -0.00 -0.00 -0.02 -0.02 -0.03 -0.01 0.05 0.03 0.03 -0.04 -0.02 0.02 -0.01 -0.02 -0.05 -0.02 -0.02 0.07 -0.10 -0.00 0.02 -0.05 -0.03 -0.03 0.03 -0.08 0.00 0.05 0.06 -0.08 -0.15 -0.05 -0.08 -0.01 0.04 -0.06 0.00 0.00 -0.02 0.02 -0.02 -0.02 0.03 -0.02 -0.07 -0.02 0.06 -0.02 0.02 -0.02 -0.01 0.03 0.06 -0.05 0.00 0.04 -0.09 -0.10 0.01 -0.01 -0.01 -0.02 0.01 0.03 0.06 0.04 -0.04 0.05 -0.09 -0.35 0.54 -0.02 -0.03 -0.07 -0.02 -0.01 -0.11 -0.01 -0.04 -0.04 0.20 -0.00 -0.06 0.08 -0.08 -0.03 0.14 0.08 -0.08 0.03 -0.03 -0.05 0.00 -0.00 -0.01 -0.02 -0.03 0.00 0.02 0.03 0.08 0.03 0.04 0.14 -0.02 -0.01 0.06 0.06 0.06 -0.05 0.14 0.11 -0.13 -0.01 0.02 -0.08 0.01 0.04 0.07 0.02 0.00 0.04 -0.21 -0.33 -0.10 -0.05 -0.03 0.03 -0.05 -0.01 0.03 0.02 0.16 0.08 0.02 -0.02 -0.01 0.03 -0.01 -0.05 0.02 0.12 0.08 -0.04 0.01 -0.01 -0.04 -0.01 -0.00 -0.03 0.01 -0.06 -0.05 0.04 -0.03 -0.02 -0.02 -0.04 0.03 0.09 -0.02 -0.01 0.04 0.02 -0.07 0.05 -0.01 0.02 -0.04 -0.02 0.04 -0.01 -0.00 -0.01 -0.05 0.01 -0.01 -0.05 0.02 0.03 -0.04 0.02 -0.01 -0.05 0.00 -0.05 0.01 0.02 -0.02 0.01 0.02 -0.07 0.11 -0.01 -0.05 0.03 0.07 0.03 0.07 0.02 0.08 -0.05 -0.01 -0.11 -0.09 0.20 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 0.00 -0.02 0.04 -0.01 -0.01 0.01 -0.03 0.03 0.04 0.06 -0.00 0.01 -0.01 -0.04 -0.00 0.04 -0.05 -0.06 -0.03 0.01 -0.08 -0.08 0.06 -0.11 -0.14 -0.10 -0.01 -0.06 0.07 0.01 -0.05 0.04 0.01 -0.08 0.06 -0.02 -0.01 0.09 0.03 -0.07 -0.08 -0.01 -0.01 -0.01 0.42 0.54 0.23 -0.06 -0.07 -0.00 -0.05 -0.02 0.01 0.11 0.37 0.12 0.03 0.03 -0.00 0.03 0.04 -0.01 0.02 0.06 0.01 0.04 0.02 0.01 0.04 0.00 0.09 0.04 0.05 0.02 0.11 0.02 0.01 0.03 0.06 0.00 0.04 0.03 0.03 0.01 -0.10 -0.20 -0.03 -0.06 -0.05 -0.03 -0.03 -0.02 0.02 0.03 -0.02 -0.01 0.00 0.01 0.00 0.00 0.02 -0.00 -0.07 0.03 0.01 -0.00 0.04 0.05 -0.09 -0.17 0.10 -0.06 -0.16 -0.03 -0.03 -0.07 -0.01 0.00 -0.08 0.12 0.06 -0.01 0.18 -0.09 -0.05 -0.06 -0.18 0.27 -0.13 0.03 0.08 -0.12 0.04 0.07 -0.12 0.06 0.03 0.04 0.01 0.09 -0.03 -0.01 0.09 0.06 0.07 0.11 -0.09 0.21 0.11 -0.03 0.27 -0.09 -0.13 0.14 -0.02 0.02 -0.02 -0.02 0.02 0.05 0.04 0.02 -0.00 -0.01 0.02 -0.02 0.03 0.03 0.00 0.01 0.01 -0.05 0.01 -0.01 0.06 0.02 -0.01 0.02 -0.00 -0.19 -0.27 -0.12 -0.00 -0.14 -0.09 -0.01 -0.04 -0.08 0.18 0.29 0.09 -0.01 0.02 0.01 -0.01 0.02 0.05 -0.03 -0.17 -0.09 0.02 -0.08 -0.00 0.00 -0.02 -0.00 0.07 -0.01 -0.00 0.07 -0.16 0.03 -0.02 0.03 0.02 -0.07 -0.04 -0.10 0.02 -0.06 -0.09 -0.00 0.02 0.09 -0.04 0.06 0.07 -0.06 0.04 0.05 0.01 -0.01 -0.03 -0.01 0.00 -0.06 -0.05 0.06 -0.01 -0.02 -0.00 -0.07 0.08 -0.04 -0.06 0.06 -0.04 -0.07 -0.01 0.01 0.14 0.01 -0.00 0.15 -0.07 -0.07 0.01 -0.08 -0.02 -0.02 -0.05 -0.06 0.00 -0.09 0.04 0.08 -0.06 0.05 -0.00 -0.10 0.06 0.03 0.07 -0.02 -0.06 0.05 -0.03 -0.06 0.02 -0.03 -0.08 -0.05 0.10 0.07 -0.01 0.06 0.02 0.02 0.09 -0.03 -0.04 -0.01 0.05 -0.04 -0.09 -0.05 -0.02 -0.04 0.03 -0.01 0.09 -0.09 0.01 0.07 -0.09 -0.03 0.12 -0.07 0.02 -0.10 -0.02 0.03 -0.04 0.02 0.31 0.43 0.21 0.11 0.03 -0.01 0.07 0.02 -0.03 0.00 -0.27 -0.04 0.02 -0.03 -0.02 0.01 -0.02 -0.10 0.06 0.35 0.19 0.05 -0.04 -0.01 0.02 0.00 0.05 -0.07 -0.05 -0.11 0.15 -0.10 0.01 -0.06 -0.09 -0.07 -0.04 0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.03 -0.02 0.02 0.01 -0.02 0.03 0.02 -0.02 0.01 0.10 -0.05 -0.01 0.03 0.00 0.03 0.01 -0.01 -0.02 0.11 -0.18 0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.03 -0.04 -0.02 -0.01 -0.01 0.04 0.01 -0.02 0.04 0.00 0.01 0.04 -0.03 0.04 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.03 -0.01 -0.00 -0.04 0.03 0.04 -0.03 0.04 0.05 -0.02 0.04 0.05 -0.00 -0.00 0.01 0.01 0.01 -0.04 -0.02 -0.01 0.01 0.03 -0.03 -0.01 0.05 -0.03 0.04 -0.00 -0.02 0.01 -0.02 -0.04 0.04 -0.04 -0.05 0.06 -0.01 -0.03 0.06 0.03 -0.05 0.07 0.05 0.01 0.11 0.02 -0.09 0.06 -0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.03 -0.00 -0.03 -0.12 -0.05 -0.00 0.01 -0.12 0.13 0.77 0.43 -0.02 0.00 -0.00 -0.01 -0.02 -0.02 -0.04 0.02 0.01 -0.06 0.03 -0.01 -0.02 0.03 0.01 -0.03 -0.09 0.05 0.00 -0.01 0.00 0.03 0.04 0.07 -0.06 0.05 0.01 -0.04 0.08 -0.01 0.01 0.09 -0.11 0.05 0.09 -0.08 -0.05 0.02 -0.03 0.07 0.07 0.00 0.03 -0.00 0.01 0.01 -0.02 0.01 0.03 0.02 0.07 0.01 -0.05 0.12 0.15 0.02 0.01 0.15 -0.02 0.05 0.14 -0.07 0.12 0.03 -0.02 -0.06 0.05 -0.09 0.03 0.00 -0.04 -0.04 -0.04 -0.09 0.03 0.06 -0.05 0.01 0.05 -0.08 0.06 -0.01 0.01 -0.01 0.00 0.07 -0.08 -0.08 -0.02 0.01 0.05 0.16 -0.05 0.07 0.09 -0.08 0.03 0.11 -0.10 -0.02 0.05 -0.05 -0.06 0.02 -0.00 -0.02 0.09 -0.01 -0.01 -0.13 0.04 0.01 -0.08 0.08 0.24 0.37 0.24 -0.09 -0.08 -0.00 -0.06 -0.05 0.01 0.01 0.19 0.05 -0.02 -0.03 0.03 -0.03 -0.07 0.09 -0.09 -0.46 -0.21 -0.04 0.03 0.00 -0.04 0.05 -0.05 -0.04 -0.04 -0.01 -0.10 0.07 -0.01 -0.06 -0.05 0.01 0.04 0.03 0.09 0.00 0.01 -0.01 -0.09 -0.03 -0.07 0.02 -0.09 -0.07 0.03 -0.05 0.05 -0.01 0.10 -0.09 0.04 0.08 -0.02 0.03 -0.08 -0.01 0.05 0.09 -0.03 -0.02 -0.00 -0.02 -0.00 0.01 -0.01 -0.09 0.02 -0.06 -0.06 -0.04 0.01 -0.09 -0.04 0.11 -0.07 -0.00 -0.03 -0.11 0.45 -0.56 -0.05 0.01 0.03 -0.04 0.05 -0.07 -0.05 0.01 0.02 0.16 0.05 -0.08 0.09 0.04 -0.15 0.06 -0.05 -0.13 -0.00 0.01 0.00 -0.01 -0.01 0.04 0.02 0.02 -0.00 0.04 0.06 0.01 0.06 0.01 0.01 0.02 0.08 0.02 0.02 -0.04 0.04 -0.04 -0.02 0.07 -0.03 -0.03 0.07 0.01 -0.06 0.07 0.01 -0.02 0.10 0.12 0.12 0.15 0.04 0.01 -0.00 0.03 0.02 -0.01 0.04 -0.00 0.01 -0.05 -0.04 0.02 -0.03 -0.00 0.09 -0.07 -0.27 -0.11 -0.02 -0.04 -0.01 -0.02 -0.03 -0.03 0.06 0.02 0.06 -0.01 -0.08 0.00 0.01 0.05 0.07 -0.09 -0.16 -0.01 -0.01 -0.04 -0.02 -0.07 -0.07 -0.12 0.04 0.20 0.03 0.04 0.20 0.04 0.01 -0.08 0.12 -0.00 -0.11 0.12 0.05 0.16 -0.04 -0.04 -0.07 0.02 0.07 -0.01 0.01 0.05 -0.03 -0.00 -0.07 0.03 -0.15 -0.04 0.01 -0.10 0.05 -0.08 0.08 0.05 -0.06 0.07 0.07 0.12 -0.18 0.01 -0.01 -0.06 0.00 0.01 -0.07 0.02 -0.02 -0.02 0.14 -0.05 -0.06 0.08 -0.06 -0.13 0.11 -0.11 -0.08 -0.04 0.03 0.01 -0.00 0.10 -0.12 -0.10 -0.01 -0.01 -0.06 0.16 -0.05 -0.05 0.11 -0.08 -0.05 0.09 -0.11 -0.04 -0.14 0.13 -0.17 -0.13 0.20 -0.00 -0.15 0.14 -0.07 0.07 -0.08 -0.06 0.08 -0.09 -0.03 0.14 -0.05 -0.01 -0.04 0.06 -0.03 -0.04 0.07 -0.02 -0.06 0.07 0.04 0.03 -0.02 0.01 -0.04 -0.06 0.11 0.30 0.13 0.03 0.03 0.02 0.02 0.08 -0.04 -0.13 -0.09 -0.04 -0.03 0.09 -0.01 -0.05 -0.10 -0.06 -0.03 -0.02 -0.08 -0.01 -0.01 0.00 -0.03 0.00 -0.05 0.11 0.06 0.05 0.06 -0.01 -0.05 -0.01 0.06 -0.07 0.04 0.04 -0.01 0.09 0.08 -0.02 0.06 0.04 0.02 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.03 0.04 -0.06 -0.02 -0.01 -0.01 -0.07 0.03 -0.09 -0.09 0.01 -0.03 -0.08 -0.42 0.50 -0.03 0.00 0.02 -0.02 0.00 -0.00 -0.03 0.01 0.00 0.02 -0.00 0.03 -0.01 -0.03 0.08 -0.01 0.07 0.03 0.00 -0.02 0.01 0.01 -0.05 0.01 0.04 -0.00 -0.01 0.03 -0.02 0.02 0.03 -0.01 0.04 0.02 -0.05 0.00 -0.05 -0.08 0.07 -0.17 -0.08 0.15 -0.03 -0.06 0.09 0.02 -0.03 0.04 0.01 -0.03 0.06 0.04 -0.00 0.06 0.05 0.06 0.01 0.03 0.03 -0.01 -0.04 -0.18 -0.05 0.00 -0.01 0.03 -0.01 -0.05 0.02 -0.14 -0.47 -0.21 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.06 0.01 -0.05 0.02 -0.02 -0.01 0.03 -0.04 -0.05 0.12 -0.06 0.12 0.01 0.01 0.03 0.00 -0.02 0.01 0.04 -0.07 0.00 0.02 -0.12 -0.06 0.02 -0.02 0.07 -0.01 -0.01 0.04 0.02 -0.04 0.02 -0.06 0.01 -0.03 -0.06 -0.01 -0.00 0.00 0.04 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.06 0.07 -0.07 -0.06 0.05 -0.05 -0.10 -0.33 0.46 -0.05 -0.00 0.05 -0.02 -0.05 0.02 -0.10 0.00 -0.00 0.05 -0.08 0.00 0.06 -0.09 0.01 0.05 -0.03 0.00 0.02 -0.04 -0.01 -0.01 -0.09 0.11 0.08 -0.00 0.00 0.03 0.15 -0.05 0.03 0.13 -0.10 0.07 0.13 -0.09 0.01 -0.00 -0.01 0.05 -0.01 -0.03 0.01 0.00 -0.01 -0.07 -0.01 -0.04 -0.04 0.03 -0.04 0.03 0.25 0.04 0.03 0.06 -0.05 0.02 0.04 -0.06 -0.01 -0.03 -0.07 -0.09 0.01 -0.02 -0.08 0.06 0.00 0.05 0.43 0.19 -0.00 -0.01 -0.01 -0.02 0.04 -0.04 0.12 -0.03 0.10 0.04 -0.17 0.05 0.11 -0.03 0.09 0.12 -0.01 -0.00 0.02 0.03 -0.09 0.01 0.02 0.01 0.02 -0.05 0.02 0.02 -0.07 -0.00 0.01 0.01 0.00 0.00 0.02 -0.01 0.02 -0.03 0.03 -0.02 0.02 -0.01 -0.02 -0.04 -0.07 0.01 -0.07 -0.09 0.02 0.00 0.01 -0.00 -0.01 0.01 -0.15 -0.01 -0.07 -0.15 -0.10 0.00 -0.19 -0.13 0.07 0.14 0.00 -0.18 0.12 -0.02 -0.09 0.14 -0.05 -0.07 -0.03 -0.01 -0.03 0.01 -0.01 0.01 -0.09 0.01 -0.04 -0.07 0.17 -0.01 -0.09 0.22 -0.01 -0.12 0.15 -0.01 0.03 0.00 0.02 0.02 0.01 0.00 0.05 -0.00 0.01 0.00 0.01 -0.01 0.04 0.00 -0.03 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 0.09 -0.12 0.27 -0.04 -0.10 0.26 0.14 -0.02 0.43 -0.07 0.01 -0.00 -0.07 0.05 0.00 -0.06 0.08 0.03 -0.05 0.02 0.02 -0.04 -0.01 -0.00 0.13 -0.03 -0.00 -0.18 0.30 -0.08 0.10 -0.03 0.01 0.01 0.04 -0.08 -0.00 0.00 -0.00 -0.03 0.11 0.05 -0.01 0.04 0.01 -0.01 0.05 0.01 0.01 -0.06 0.08 -0.04 -0.05 0.02 -0.01 0.03 0.02 -0.01 -0.06 0.05 0.00 0.01 -0.01 -0.12 -0.05 -0.04 -0.01 -0.01 -0.02 -0.14 -0.11 -0.01 0.03 -0.02 0.02 0.03 -0.00 0.01 0.05 0.08 -0.11 -0.01 -0.01 0.00 0.01 -0.04 -0.01 -0.05 -0.02 -0.01 -0.02 0.09 0.03 0.08 0.12 0.07 -0.03 0.07 0.03 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.34 -0.02 0.12 0.33 -0.03 0.07 0.32 -0.04 0.10 -0.00 -0.01 0.01 0.10 -0.03 -0.04 -0.00 -0.01 0.01 -0.19 -0.05 -0.07 -0.06 0.02 -0.13 -0.06 0.51 0.04 -0.01 0.00 -0.02 -0.00 0.00 -0.02 -0.02 -0.01 -0.04 0.02 0.03 -0.00 0.01 0.02 -0.06 -0.03 0.04 0.02 -0.14 -0.06 -0.05 -0.14 -0.13 0.02 -0.01 0.08 -0.12 -0.12 0.09 -0.11 0.00 0.02 -0.07 0.30 -0.11 -0.14 0.07 0.02 0.06 -0.00 0.00 -0.02 -0.05 0.17 0.08 -0.07 0.14 0.03 0.02 0.05 -0.03 0.02 0.05 -0.03 -0.06 0.17 0.07 -0.03 0.06 -0.04 -0.11 -0.03 -0.03 -0.03 0.06 0.04 -0.01 0.00 -0.01 0.01 0.01 -0.00 0.08 -0.05 0.05 0.07 -0.00 0.03 0.12 0.12 -0.16 0.00 -0.01 0.02 0.01 -0.02 0.00 -0.02 0.01 -0.05 -0.00 0.03 -0.00 -0.02 0.02 0.02 0.00 0.03 0.00 0.00 -0.04 -0.01 -0.11 0.04 0.19 -0.03 -0.05 -0.01 -0.04 -0.07 0.05 -0.06 -0.02 0.01 0.05 -0.11 -0.00 -0.03 -0.02 0.02 0.10 -0.04 -0.04 -0.02 -0.02 0.01 0.04 -0.00 0.03 0.03 -0.00 0.04 -0.00 -0.12 -0.01 -0.03 0.01 -0.03 0.01 -0.01 -0.03 -0.03 0.02 -0.08 -0.19 0.04 0.01 -0.19 0.08 -0.03 -0.22 0.06 0.03 -0.01 0.03 -0.01 -0.01 0.00 0.06 0.31 -0.16 -0.06 0.16 -0.33 0.12 0.28 -0.13 -0.13 0.03 -0.01 -0.00 -0.01 0.09 -0.04 0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 0.00 0.01 -0.01 -0.02 0.03 -0.00 -0.04 -0.08 -0.08 0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.00 0.00 0.01 0.01 -0.00 0.01 0.00 0.00 -0.03 0.03 0.01 -0.08 0.10 0.01 0.05 -0.01 0.17 0.00 -0.02 -0.00 -0.02 -0.02 -0.01 0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.01 -0.04 0.07 0.03 -0.00 0.02 -0.02 0.00 0.01 -0.02 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.05 -0.02 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.03 -0.02 0.04 -0.02 -0.01 -0.02 -0.00 -0.02 0.00 0.00 -0.02 0.01 -0.00 -0.02 0.01 0.00 0.05 -0.10 0.03 0.04 -0.04 -0.03 0.03 0.01 -0.01 -0.30 0.84 -0.30 0.04 -0.01 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.02 0.00 -0.02 0.02 0.00 -0.01 0.02 0.00 -0.01 -0.14 -0.02 -0.11 0.03 0.05 0.15 0.07 -0.02 -0.04 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.01 -0.09 0.01 0.04 0.86 -0.17 -0.37 -0.03 0.01 0.03 0.01 -0.01 0.01 0.05 -0.02 -0.04 -0.04 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 0.01 0.00 0.01 -0.00 -0.02 -0.04 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.03 0.01 0.02 0.01 -0.04 0.02 0.01 0.02 -0.01 -0.04 0.00 0.00 0.18 0.07 0.03 -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 -0.01 0.00 -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.02 -0.03 0.02 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.03 -0.37 0.05 0.89 0.11 0.07 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.02 0.01 0.00 0.01 0.05 0.04 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.02 0.00 -0.02 0.01 -0.06 -0.01 0.01 0.00 0.01 -0.03 0.02 -0.03 0.03 0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.00 0.01 -0.03 0.04 -0.04 0.00 -0.01 -0.02 -0.09 0.04 -0.06 -0.00 -0.01 -0.00 0.07 0.08 0.06 0.00 0.00 -0.00 0.00 -0.04 0.04 0.00 0.00 -0.00 0.02 -0.03 -0.02 -0.04 -0.01 0.00 -0.01 0.00 -0.00 -0.06 0.09 0.01 0.09 0.01 0.07 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.05 -0.01 -0.03 -0.03 -0.03 -0.00 -0.00 0.02 0.03 -0.03 0.13 -0.10 -0.03 0.01 0.00 0.00 -0.00 -0.01 -0.06 0.05 0.01 0.05 0.04 0.00 -0.01 -0.00 0.12 0.00 -0.08 -0.10 0.12 -0.07 0.00 0.01 -0.00 -0.02 0.01 -0.00 -0.01 -0.03 0.02 -0.03 0.00 -0.00 -0.03 -0.16 0.38 0.47 0.01 -0.13 0.03 0.02 -0.00 0.13 -0.13 -0.39 0.03 -0.06 0.02 -0.44 -0.17 0.08 -0.02 0.00 -0.02 -0.00 0.00 -0.02 -0.01 0.03 -0.02 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 0.05 0.00 0.03 0.01 -0.00 0.02 -0.08 0.04 -0.07 0.00 0.01 0.00 -0.07 -0.07 -0.05 -0.00 -0.00 0.00 -0.01 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.06 -0.08 -0.01 -0.09 -0.01 -0.07 0.00 0.00 -0.00 0.03 0.01 0.02 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.02 -0.03 0.02 -0.10 0.08 0.01 -0.02 -0.00 -0.00 0.00 0.03 0.05 -0.05 -0.02 -0.05 -0.04 -0.00 0.00 0.00 -0.05 0.03 0.06 0.05 -0.08 0.04 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.03 -0.00 -0.00 -0.04 -0.19 0.44 0.54 0.01 -0.14 -0.03 -0.02 0.00 -0.12 0.12 0.35 -0.01 0.03 -0.05 0.40 0.15 -0.08 -0.03 0.01 -0.03 0.00 0.00 -0.01 -0.05 0.03 -0.05 -0.01 -0.03 0.05 0.01 0.01 0.01 -0.06 -0.09 -0.08 -0.00 0.00 0.01 -0.06 0.03 -0.06 -0.04 0.06 -0.07 -0.02 0.01 0.00 0.00 -0.00 0.00 0.02 -0.05 -0.03 -0.00 0.00 -0.01 -0.02 -0.09 0.06 -0.03 -0.00 0.00 -0.21 0.34 0.22 0.50 0.03 0.07 -0.01 0.00 0.00 -0.00 0.05 -0.10 -0.00 0.02 -0.03 0.01 0.01 -0.00 -0.01 0.01 -0.05 -0.08 -0.07 -0.04 -0.01 0.01 -0.01 0.08 -0.24 0.01 0.13 0.15 0.12 -0.00 -0.00 -0.00 0.01 0.00 0.03 -0.03 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.18 0.13 0.07 0.14 0.10 0.01 -0.01 0.01 0.12 -0.03 -0.10 -0.13 0.08 -0.09 -0.00 -0.05 -0.00 0.22 -0.07 0.04 0.08 0.29 -0.18 -0.00 0.00 0.00 -0.01 -0.02 0.02 0.03 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.02 0.04 -0.01 0.01 0.02 0.05 0.00 -0.00 0.03 -0.02 0.02 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.02 -0.06 0.01 -0.00 -0.01 0.14 -0.08 0.15 0.01 0.03 0.09 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.03 0.02 0.01 0.01 0.00 0.01 0.02 0.19 -0.14 -0.02 -0.00 -0.00 -0.10 0.15 0.10 0.23 0.01 0.03 -0.01 0.00 -0.00 -0.03 0.07 -0.04 0.05 0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.03 -0.04 -0.01 -0.00 0.01 -0.00 0.02 -0.07 0.00 0.04 0.05 0.04 0.01 0.00 0.02 0.00 -0.04 -0.04 0.01 -0.01 0.01 -0.01 -0.02 0.02 0.03 0.35 -0.24 -0.09 -0.29 -0.22 -0.03 0.01 -0.02 -0.27 0.09 0.22 0.30 -0.18 0.21 0.00 -0.02 0.00 0.11 -0.04 0.02 0.04 0.13 -0.09 -0.00 -0.00 0.00 -0.00 -0.02 0.03 0.04 -0.00 -0.01 0.01 0.01 -0.00 0.06 -0.08 -0.17 -0.02 0.01 0.02 -0.20 -0.08 0.04 0.02 0.01 -0.01 -0.01 0.00 0.01 0.10 0.01 0.05 0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.05 0.05 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.06 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.03 0.02 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.05 0.02 0.13 0.11 0.00 0.02 -0.01 0.01 0.00 -0.01 0.07 -0.10 0.01 0.03 -0.04 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.06 -0.02 -0.02 0.03 -0.03 0.01 -0.18 0.58 -0.04 -0.46 -0.30 -0.04 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.02 0.01 0.02 0.28 -0.12 0.05 -0.02 0.09 -0.35 0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 0.03 0.02 -0.02 -0.03 0.02 0.04 -0.02 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.00 0.17 -0.04 -0.00 0.00 -0.01 0.05 0.04 -0.06 -0.02 0.00 0.01 0.01 0.10 -0.04 0.04 -0.02 0.15 -0.09 0.04 0.06 -0.00 0.00 -0.00 0.03 -0.01 -0.01 0.01 0.02 0.01 -0.05 -0.03 0.02 -0.00 -0.00 0.00 -0.02 0.02 0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.07 0.01 -0.06 -0.01 -0.03 0.00 -0.00 0.00 0.05 0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.10 -0.09 -0.01 -0.01 0.02 -0.03 0.02 -0.09 0.45 -0.24 -0.24 -0.33 -0.20 0.03 -0.03 0.02 0.33 -0.06 -0.23 -0.31 0.27 -0.21 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.02 -0.04 -0.03 -0.00 0.01 0.00 -0.00 0.00 -0.03 0.06 0.03 -0.01 -0.00 0.05 0.05 0.04 -0.01 0.04 0.02 -0.00 0.00 -0.00 0.00 -0.05 0.07 -0.08 0.06 -0.33 -0.20 -0.00 0.00 -0.00 0.01 0.03 0.05 -0.00 0.00 0.00 0.01 0.04 -0.02 0.01 -0.00 0.03 -0.02 0.01 0.03 0.00 -0.00 0.01 0.00 -0.11 -0.08 -0.00 0.01 0.00 0.34 0.15 0.09 0.02 -0.00 -0.00 0.10 -0.20 -0.06 -0.26 -0.01 -0.05 -0.00 -0.00 0.00 -0.11 0.24 -0.09 0.20 0.09 -0.04 -0.01 -0.00 0.01 -0.20 -0.09 0.03 -0.04 0.10 0.01 -0.00 0.01 -0.01 0.05 -0.19 0.04 0.07 0.13 0.17 0.00 0.00 -0.00 -0.03 0.15 0.02 0.09 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.04 -0.02 -0.04 -0.03 -0.01 -0.01 -0.01 0.00 0.02 -0.05 -0.05 -0.03 0.08 -0.01 -0.01 0.01 0.03 0.23 -0.18 0.05 -0.06 0.04 -0.33 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.07 0.04 -0.02 0.05 -0.02 0.03 -0.04 0.01 0.01 0.02 -0.02 -0.00 -0.00 0.00 0.04 -0.16 0.12 0.05 -0.32 -0.21 0.00 -0.00 0.00 0.01 -0.01 -0.07 -0.00 0.00 0.00 0.01 0.05 -0.03 0.01 -0.01 0.02 -0.04 0.02 0.04 0.01 0.00 -0.01 -0.21 0.09 0.08 -0.01 0.01 0.00 0.34 0.15 0.09 -0.02 -0.00 0.01 -0.10 0.20 0.05 0.25 0.02 0.03 0.01 -0.01 0.00 -0.09 0.13 0.06 0.16 -0.01 0.13 -0.00 0.01 0.00 -0.16 -0.04 -0.05 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.04 0.15 -0.02 -0.02 -0.10 -0.19 0.00 -0.00 -0.00 -0.04 0.13 -0.01 0.09 0.04 0.03 0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.05 -0.02 -0.00 -0.01 -0.01 0.00 0.02 -0.06 -0.05 -0.03 0.07 -0.01 0.01 -0.01 -0.03 -0.25 0.16 -0.05 0.06 -0.04 0.34 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.09 0.09 -0.02 0.08 -0.09 0.08 -0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.15 0.09 -0.04 0.22 0.24 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.03 0.03 0.00 -0.00 0.01 -0.02 -0.04 0.02 0.02 0.01 0.00 -0.01 -0.32 0.01 0.03 0.01 0.00 -0.00 -0.29 -0.14 -0.06 0.01 0.01 -0.00 0.03 -0.04 -0.04 -0.08 -0.03 0.03 -0.00 -0.01 -0.00 -0.22 0.34 0.06 0.38 0.11 0.04 0.00 -0.02 0.00 0.02 0.06 -0.21 0.05 -0.22 -0.01 -0.00 0.01 -0.00 0.01 -0.04 0.02 0.05 0.03 -0.02 -0.01 0.01 0.00 -0.02 -0.04 -0.11 0.05 0.11 0.09 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.02 -0.03 -0.03 0.01 0.00 0.01 0.03 0.00 -0.01 -0.04 -0.03 -0.03 -0.00 0.01 0.01 0.00 -0.10 -0.01 -0.01 0.02 -0.04 0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.06 -0.25 0.14 -0.02 0.13 -0.15 0.07 -0.04 0.00 -0.01 -0.03 0.02 0.00 0.00 0.01 -0.04 -0.10 0.03 -0.00 0.08 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.04 0.01 -0.02 -0.01 0.39 0.45 -0.09 0.01 0.00 0.07 -0.43 0.17 0.36 0.00 -0.00 -0.00 -0.07 0.04 0.04 0.00 -0.00 -0.00 -0.03 -0.09 0.05 0.00 -0.00 0.00 0.00 -0.03 0.02 -0.01 0.01 -0.02 -0.00 0.01 0.00 0.06 -0.08 -0.04 -0.11 -0.03 -0.01 0.00 -0.00 -0.00 0.03 -0.02 0.11 -0.04 0.09 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.03 0.02 0.00 -0.02 -0.00 -0.00 0.00 -0.04 0.05 -0.08 0.09 -0.03 -0.03 -0.01 -0.01 -0.01 0.07 -0.10 0.01 -0.07 0.06 0.08 0.00 0.01 -0.00 -0.11 -0.10 -0.00 0.05 -0.07 0.04 -0.00 -0.00 0.00 0.05 0.02 0.02 -0.01 0.01 -0.04 0.01 -0.00 -0.01 -0.06 -0.20 -0.12 -0.00 0.03 0.02 0.01 0.00 0.00 0.02 -0.01 -0.06 -0.08 0.15 0.01 -0.07 0.00 0.00 0.10 0.05 -0.00 -0.00 0.00 -0.01 -0.02 0.31 -0.20 0.01 0.01 -0.13 -0.00 0.00 0.00 -0.01 -0.03 -0.07 0.00 -0.01 -0.00 0.10 0.11 -0.02 -0.01 0.01 -0.00 -0.11 0.04 0.09 -0.01 0.00 0.01 0.22 -0.23 -0.19 -0.01 -0.00 0.00 0.08 0.01 0.04 -0.01 -0.00 0.01 -0.02 0.19 -0.18 0.06 -0.01 0.03 -0.00 -0.00 -0.01 -0.12 -0.02 0.37 0.16 0.11 -0.14 -0.01 0.01 0.00 0.04 0.09 -0.20 0.28 -0.14 0.08 0.01 -0.02 0.00 -0.02 0.09 -0.02 -0.15 -0.03 0.14 0.01 0.00 0.00 0.05 -0.12 0.02 -0.10 0.05 0.06 -0.00 -0.00 -0.00 0.03 -0.04 0.01 -0.04 0.03 0.04 -0.01 0.01 -0.00 -0.04 -0.01 0.01 0.03 -0.02 0.02 0.01 0.01 -0.01 -0.15 -0.22 -0.09 0.01 -0.03 0.07 0.00 -0.00 -0.00 -0.01 -0.05 -0.03 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.03 0.02 0.01 -0.06 0.09 0.02 -0.03 0.02 0.04 -0.05 0.04 -0.00 0.00 -0.00 -0.03 0.32 -0.20 -0.02 -0.07 0.23 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 -0.00 -0.00 0.10 0.07 0.02 0.01 -0.02 0.01 -0.09 0.04 0.06 -0.01 0.00 0.01 0.26 -0.23 -0.19 0.01 0.01 -0.01 -0.11 -0.01 -0.07 0.01 0.01 -0.00 -0.00 -0.12 0.17 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.04 0.27 -0.31 0.11 -0.10 0.30 0.00 -0.01 0.00 -0.09 -0.04 -0.03 -0.24 -0.07 -0.09 0.00 -0.01 0.01 -0.01 0.05 -0.01 -0.05 -0.04 0.02 0.01 0.00 -0.00 0.01 0.03 0.04 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.08 -0.02 -0.04 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.05 0.29 0.02 0.01 -0.08 0.18 0.00 -0.00 -0.00 -0.01 -0.03 -0.02 -0.01 0.00 0.00 -0.02 0.01 -0.01 -0.04 0.04 0.04 0.01 -0.06 0.09 0.10 -0.10 0.03 0.02 0.00 0.00 0.00 -0.01 0.01 -0.05 0.16 -0.13 -0.01 0.22 -0.06 -0.01 0.00 0.01 0.12 0.09 -0.18 0.00 0.01 0.00 -0.16 -0.10 -0.04 0.09 -0.13 0.15 0.15 -0.06 -0.07 0.00 -0.00 0.01 -0.09 -0.26 -0.18 0.00 -0.00 0.00 -0.09 -0.16 0.08 -0.01 -0.01 0.01 -0.03 0.08 -0.02 0.09 0.03 -0.03 -0.01 0.00 -0.00 -0.02 -0.01 0.07 0.03 0.01 -0.00 0.01 -0.01 -0.02 -0.00 -0.11 0.27 -0.05 0.27 0.00 0.00 -0.01 0.00 -0.02 0.03 0.02 -0.06 -0.01 0.07 -0.01 -0.00 0.01 -0.13 0.23 -0.17 0.30 -0.05 -0.08 0.01 0.00 -0.01 -0.05 0.01 0.03 -0.12 0.03 0.06 0.01 0.00 0.00 -0.04 -0.08 -0.02 -0.01 -0.06 -0.01 0.01 -0.00 -0.01 -0.06 -0.02 -0.03 0.01 -0.02 0.06 -0.01 0.00 0.00 0.01 0.02 0.03 0.02 0.01 -0.00 0.01 0.02 0.00 0.08 -0.15 -0.05 -0.08 0.21 -0.14 -0.11 -0.09 0.05 0.01 0.09 -0.07 -0.00 -0.01 0.01 -0.04 0.03 -0.04 -0.02 -0.03 0.12 0.01 -0.01 -0.01 -0.34 -0.25 0.46 -0.00 0.00 -0.00 0.05 -0.01 0.05 -0.26 0.40 -0.22 -0.03 0.01 -0.02 0.00 -0.00 0.00 -0.04 -0.09 -0.06 -0.00 0.00 0.00 -0.07 0.07 -0.10 0.01 -0.00 -0.00 -0.01 0.11 -0.09 0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.08 0.00 0.03 -0.06 0.01 -0.00 -0.01 -0.04 -0.07 0.14 -0.03 0.16 -0.00 0.01 -0.00 0.00 -0.02 0.09 -0.02 -0.08 -0.04 0.02 -0.01 -0.00 0.00 -0.06 0.16 0.01 0.11 -0.06 -0.06 0.00 -0.01 0.01 0.02 0.05 -0.04 0.16 -0.08 -0.10 0.01 -0.01 0.01 0.07 0.02 -0.02 -0.05 0.06 -0.03 0.00 0.00 -0.00 -0.06 -0.07 -0.03 0.01 -0.01 0.03 0.00 0.00 0.00 -0.02 -0.05 -0.03 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.03 -0.07 0.14 -0.02 -0.04 -0.02 0.01 0.06 0.09 -0.06 -0.01 -0.01 -0.01 -0.17 -0.17 -0.01 -0.01 -0.02 0.10 -0.01 -0.01 0.00 0.01 -0.05 -0.24 0.00 0.00 0.00 -0.06 -0.10 0.04 0.00 0.06 0.28 0.00 -0.00 -0.16 0.01 -0.00 -0.01 0.12 0.15 0.09 0.00 -0.00 -0.00 -0.06 0.01 -0.05 0.00 -0.00 0.01 0.02 0.03 -0.08 -0.02 0.02 -0.03 0.00 -0.01 0.00 -0.09 0.13 0.05 0.16 0.07 -0.03 0.00 -0.01 -0.01 -0.05 -0.06 0.08 -0.03 0.10 -0.01 0.01 0.00 -0.00 -0.04 0.06 0.06 -0.02 -0.02 -0.02 0.01 0.01 -0.00 0.04 -0.02 0.11 -0.09 -0.15 -0.12 0.00 0.00 -0.01 -0.07 -0.05 0.06 0.06 0.04 0.01 -0.00 -0.00 -0.01 0.04 0.11 0.05 0.02 0.00 0.01 0.00 0.00 0.00 -0.04 -0.09 -0.02 0.00 -0.00 0.01 0.00 0.01 0.01 -0.06 -0.18 -0.08 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.07 0.13 0.03 -0.21 0.16 0.38 0.08 0.04 -0.03 0.42 0.16 -0.02 0.01 -0.01 0.00 -0.14 0.01 -0.10 0.01 -0.17 0.01 -0.01 -0.00 -0.00 -0.01 -0.04 -0.09 0.00 0.00 0.00 -0.07 -0.08 0.02 -0.02 0.04 0.08 -0.01 0.00 -0.14 0.01 0.00 0.01 -0.29 -0.25 -0.16 -0.01 -0.00 -0.00 0.10 0.11 -0.04 0.00 0.01 -0.00 0.02 -0.11 0.07 -0.07 -0.01 0.01 -0.00 0.01 -0.00 0.15 -0.21 -0.09 -0.26 -0.10 0.03 -0.01 0.02 0.02 0.06 0.12 -0.22 0.04 -0.24 -0.00 0.01 -0.00 0.00 -0.03 0.04 0.04 -0.03 -0.01 0.02 -0.01 -0.00 0.00 0.03 -0.14 -0.03 -0.06 0.12 0.11 0.00 0.00 -0.00 -0.03 -0.01 0.02 0.06 0.01 -0.02 -0.00 -0.00 0.00 0.07 0.08 0.01 -0.03 0.03 -0.02 -0.00 -0.00 -0.00 0.06 0.12 0.04 -0.01 -0.02 -0.02 -0.00 0.01 0.01 -0.06 -0.16 -0.07 0.00 -0.02 -0.01 0.02 0.02 0.00 0.08 -0.14 -0.04 -0.17 0.36 -0.08 -0.09 -0.06 0.04 0.22 -0.01 0.06 0.00 0.01 0.00 0.05 0.03 0.02 -0.03 -0.25 0.37 -0.00 0.01 0.01 0.15 0.08 -0.29 -0.01 -0.00 -0.00 0.13 0.01 0.09 0.10 -0.21 -0.07 -0.11 0.04 -0.02 -0.00 0.00 0.00 -0.07 -0.03 -0.02 0.00 0.00 -0.01 -0.11 0.19 -0.24 0.00 -0.00 0.01 0.01 0.03 -0.04 -0.00 0.01 -0.01 0.00 0.00 0.01 0.03 -0.13 0.14 -0.04 0.10 -0.26 0.01 0.01 -0.02 -0.10 -0.07 0.07 -0.11 0.11 -0.04 -0.01 -0.00 -0.00 0.01 -0.03 -0.01 -0.00 0.02 0.03 -0.00 -0.01 -0.01 -0.03 0.22 0.17 0.00 0.07 0.05 -0.02 0.01 0.01 0.04 -0.03 -0.00 0.26 -0.03 -0.11 0.00 -0.02 0.00 0.10 0.11 0.02 -0.02 0.09 -0.01 0.00 0.01 -0.00 -0.08 -0.14 -0.05 0.00 0.00 0.03 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.00 0.01 0.01 0.00 -0.03 0.06 -0.02 -0.14 -0.04 0.03 -0.00 -0.10 -0.13 0.09 0.00 0.02 -0.00 0.03 0.02 0.01 0.01 0.22 -0.24 0.00 0.01 0.01 -0.07 -0.14 -0.23 0.00 -0.00 0.00 0.04 -0.03 0.04 -0.06 0.02 -0.26 -0.12 0.04 -0.13 0.00 0.00 -0.00 -0.16 -0.08 -0.05 -0.00 -0.01 0.01 0.03 0.06 -0.03 0.00 -0.01 0.01 0.02 0.08 -0.14 -0.03 0.03 -0.05 -0.00 0.00 -0.00 -0.02 0.11 -0.13 0.04 -0.06 0.19 -0.00 -0.02 -0.00 0.05 -0.10 0.30 0.01 0.32 0.04 0.00 0.00 0.00 0.00 0.02 -0.02 -0.03 -0.01 0.01 0.00 0.01 -0.03 0.11 -0.21 0.10 -0.24 0.11 0.09 0.00 0.00 0.01 0.06 -0.02 -0.01 -0.03 0.01 0.02 -0.01 -0.00 -0.01 0.07 0.17 0.06 0.01 0.00 0.01 -0.00 -0.01 0.01 0.04 0.05 0.02 -0.01 -0.01 -0.03 0.00 0.00 0.01 -0.03 -0.08 -0.06 -0.02 -0.03 -0.01 -0.00 0.01 -0.00 0.03 -0.10 0.07 0.04 -0.05 -0.02 0.06 -0.03 0.01 0.02 -0.27 0.23 -0.01 0.01 -0.01 -0.01 -0.03 0.01 -0.01 0.15 -0.05 0.00 0.00 0.01 -0.06 -0.12 -0.19 0.00 0.00 0.00 -0.04 -0.03 0.00 -0.05 0.04 -0.12 0.05 -0.02 -0.01 -0.01 -0.01 0.00 0.16 0.10 0.06 0.00 -0.00 0.00 -0.06 -0.06 0.02 0.00 0.00 0.01 0.04 0.07 -0.17 -0.07 -0.00 -0.01 0.00 0.01 -0.01 0.03 -0.00 -0.06 -0.07 -0.12 0.24 -0.00 0.00 0.01 -0.07 0.04 -0.20 0.20 -0.15 0.06 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.04 -0.00 0.04 -0.00 -0.04 -0.00 -0.14 0.57 0.21 0.19 0.15 0.13 0.00 -0.00 0.00 0.02 0.02 -0.01 -0.03 -0.01 0.01 0.00 -0.01 -0.01 -0.07 -0.07 0.00 0.05 0.00 0.03 -0.00 -0.01 0.01 0.06 0.03 0.03 -0.02 -0.01 -0.07 -0.00 0.00 0.00 -0.03 -0.07 -0.02 0.02 0.01 -0.00 -0.00 -0.01 -0.01 -0.06 0.17 -0.05 -0.04 0.07 -0.03 0.01 -0.02 -0.00 0.08 -0.18 0.16 0.02 -0.01 0.01 0.01 0.01 -0.00 0.00 0.21 -0.17 -0.00 -0.00 -0.01 0.09 0.19 0.31 0.00 -0.01 0.00 0.09 -0.03 0.09 0.07 -0.08 0.16 -0.16 0.05 -0.15 0.00 0.00 0.00 -0.20 -0.11 -0.07 0.00 -0.02 0.01 -0.01 0.05 -0.05 -0.01 -0.00 -0.01 -0.04 -0.02 0.12 0.07 -0.02 0.02 -0.00 -0.00 -0.01 -0.04 0.02 0.08 0.05 -0.02 0.07 0.00 -0.00 0.00 -0.02 -0.00 -0.04 0.09 -0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.03 0.01 0.04 0.01 -0.02 -0.00 -0.01 -0.01 0.04 0.23 0.47 -0.20 -0.08 -0.05 -0.00 0.01 -0.01 0.01 -0.09 0.05 -0.06 0.07 0.07 -0.01 -0.01 -0.02 0.06 0.23 0.11 0.07 0.02 0.04 0.00 -0.00 -0.00 0.02 0.02 0.01 0.01 0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.03 -0.05 -0.04 -0.00 0.00 -0.00 0.00 -0.05 0.14 -0.03 0.02 0.05 -0.12 0.06 -0.03 0.01 -0.11 0.19 -0.18 -0.00 -0.00 0.01 0.03 -0.01 0.03 -0.01 -0.06 0.05 -0.00 -0.00 0.00 0.08 0.09 0.01 -0.00 -0.00 0.00 0.05 0.01 0.03 0.06 -0.10 0.04 -0.12 0.04 -0.08 -0.00 -0.00 -0.00 0.07 0.07 0.05 -0.01 -0.01 0.00 -0.00 0.23 -0.21 -0.00 -0.01 0.00 0.01 0.19 -0.25 -0.00 -0.02 0.01 -0.00 0.02 -0.03 -0.02 -0.01 0.07 -0.04 -0.21 0.49 -0.01 0.00 -0.00 0.07 0.04 -0.01 0.24 0.03 0.09 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 -0.04 0.03 0.12 -0.01 0.01 0.02 -0.04 -0.13 -0.30 0.18 -0.12 -0.12 -0.01 0.01 0.00 0.00 -0.06 0.04 0.17 0.01 -0.05 0.00 -0.01 0.02 0.15 0.10 -0.00 -0.10 0.05 -0.05 0.00 -0.01 0.01 0.08 -0.00 0.03 -0.01 0.01 -0.12 0.01 -0.00 0.00 0.01 0.02 -0.02 -0.04 -0.02 0.00 -0.00 0.00 -0.01 -0.01 0.03 0.00 0.02 -0.01 -0.05 0.03 -0.05 0.01 -0.10 0.16 -0.15 0.01 -0.01 0.00 -0.05 -0.05 -0.00 -0.01 -0.13 0.17 0.00 -0.00 0.00 -0.01 -0.04 -0.08 -0.01 0.00 -0.01 0.08 0.04 0.03 -0.00 0.05 0.13 0.27 -0.10 0.36 0.01 0.01 -0.00 -0.30 -0.12 -0.07 0.00 0.01 -0.01 -0.04 -0.09 0.06 0.00 -0.01 0.01 0.03 0.21 -0.32 -0.03 -0.01 0.01 0.00 0.01 -0.00 0.04 0.02 -0.11 -0.06 -0.08 0.16 -0.00 -0.00 -0.00 -0.05 -0.02 0.02 0.04 0.06 0.02 0.00 0.00 -0.01 -0.01 0.02 0.01 -0.06 0.01 0.11 0.01 0.00 -0.01 0.10 -0.06 0.27 -0.26 -0.07 -0.04 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.04 -0.01 -0.02 0.00 0.01 -0.01 -0.14 -0.20 -0.06 0.05 0.01 0.02 -0.00 -0.01 0.01 0.00 -0.03 0.00 -0.01 -0.02 -0.03 -0.01 -0.01 -0.02 0.08 0.24 0.16 0.07 0.07 0.01 0.01 0.00 0.00 -0.02 0.06 -0.01 -0.01 0.01 -0.00 0.04 -0.04 0.02 0.00 0.09 -0.08 -0.00 0.00 -0.01 -0.08 -0.05 -0.02 -0.01 0.05 -0.01 -0.00 -0.00 0.00 -0.02 -0.03 -0.05 -0.01 0.00 -0.01 -0.02 0.04 -0.05 -0.02 0.01 -0.07 0.17 -0.06 0.22 0.00 0.00 -0.00 -0.04 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.15 -0.14 -0.01 0.01 -0.01 -0.03 -0.32 0.45 0.02 0.04 -0.05 -0.01 0.01 -0.03 -0.11 -0.15 0.51 0.06 -0.11 0.31 0.01 0.00 -0.01 0.04 -0.02 0.08 0.02 0.09 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.01 0.01 0.00 0.00 -0.01 0.01 0.03 0.07 -0.05 0.02 0.01 -0.00 0.00 0.01 0.00 -0.02 0.02 0.09 -0.01 -0.03 0.00 0.00 0.00 -0.05 -0.14 -0.06 0.01 0.05 0.01 0.01 0.00 -0.01 0.06 0.01 0.01 0.01 0.04 -0.09 -0.01 -0.00 -0.01 0.02 0.06 0.06 0.05 0.04 0.00 -0.01 0.01 -0.01 0.01 -0.07 0.06 -0.03 -0.02 0.11 0.06 -0.03 0.00 0.10 -0.07 0.07 -0.00 -0.00 -0.00 -0.02 0.03 -0.03 -0.00 0.25 -0.16 -0.00 -0.00 0.01 -0.00 -0.02 -0.07 0.01 -0.01 -0.00 -0.23 0.17 -0.32 -0.00 -0.01 -0.02 0.07 -0.03 0.19 -0.00 0.00 0.00 -0.01 -0.05 -0.04 -0.00 -0.03 0.01 -0.02 0.47 -0.44 0.00 0.00 0.00 0.01 0.04 -0.06 -0.01 -0.00 0.00 0.00 -0.01 0.02 0.02 0.11 -0.23 0.02 0.10 -0.22 -0.01 -0.01 0.01 0.08 0.04 -0.02 0.05 -0.07 0.02 -0.00 -0.00 0.01 -0.01 0.02 0.00 0.08 -0.04 -0.18 -0.00 -0.00 0.00 -0.01 0.05 0.03 0.01 -0.06 -0.05 0.00 0.00 0.01 -0.04 -0.06 0.08 0.08 0.02 -0.00 0.00 -0.01 0.02 -0.02 -0.11 -0.04 0.03 0.07 0.04 -0.01 -0.00 0.00 0.01 0.05 0.02 -0.00 -0.00 0.04 -0.00 -0.00 -0.01 0.03 0.08 0.05 0.03 0.03 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.02 0.01 0.04 -0.02 0.02 0.00 0.02 0.08 -0.06 -0.01 -0.00 -0.01 -0.00 0.06 -0.04 0.01 0.11 -0.17 0.00 -0.00 0.01 -0.02 -0.08 -0.16 -0.03 0.01 -0.01 0.42 -0.16 0.47 -0.02 0.05 0.03 0.11 -0.04 0.11 -0.00 0.01 0.00 0.05 -0.05 -0.04 -0.01 -0.01 0.01 0.04 -0.02 0.05 -0.00 0.00 0.00 0.01 -0.04 0.03 -0.02 0.01 -0.02 -0.00 -0.01 0.00 0.02 0.00 -0.07 -0.01 0.04 -0.12 -0.01 0.00 0.00 0.04 0.03 -0.04 0.13 -0.04 0.04 -0.00 -0.00 0.02 -0.00 0.02 -0.00 0.15 -0.08 -0.33 -0.01 0.00 0.00 -0.05 0.09 -0.05 0.11 -0.05 -0.05 -0.01 0.01 -0.01 0.07 -0.10 0.01 0.13 0.04 -0.02 0.01 -0.01 -0.00 0.12 0.09 -0.01 -0.12 0.07 -0.09 -0.01 -0.00 0.01 0.07 0.08 0.04 -0.00 0.04 -0.04 -0.00 -0.01 -0.01 0.07 0.19 0.10 0.01 0.02 0.00 -0.00 0.01 0.00 0.07 -0.21 0.07 -0.01 -0.07 0.13 -0.02 0.02 -0.00 0.05 0.08 -0.06 0.02 -0.00 0.01 -0.09 -0.04 -0.02 0.01 0.05 -0.10 -0.00 0.00 0.03 0.01 -0.04 -0.16 -0.01 0.00 -0.00 0.10 -0.05 0.12 -0.01 -0.14 -0.45 0.08 -0.03 0.06 -0.00 -0.00 0.01 -0.06 -0.04 -0.02 -0.00 0.00 0.00 0.04 -0.03 0.06 0.00 0.01 -0.00 0.00 -0.09 0.11 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.07 0.11 0.01 0.11 0.06 -0.06 -0.00 0.00 0.00 0.04 0.03 -0.03 -0.02 -0.07 -0.01 0.00 0.00 -0.00 -0.02 0.02 0.03 -0.03 0.00 0.04 -0.00 0.00 0.02 0.02 -0.16 -0.09 0.00 -0.19 -0.15 -0.00 0.00 0.01 0.08 0.02 -0.05 0.04 -0.03 -0.03 0.00 0.00 0.00 0.01 -0.03 -0.03 -0.04 0.01 -0.03 0.00 0.00 -0.01 -0.03 -0.02 -0.02 0.00 -0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 0.00 0.01 -0.02 0.01 -0.16 0.54 -0.21 -0.07 0.26 -0.21 -0.02 -0.04 0.02 -0.02 0.07 -0.05 -0.00 -0.00 -0.00 -0.11 -0.16 0.03 0.01 0.15 -0.17 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.13 -0.03 0.13 -0.00 -0.01 -0.01 0.04 -0.02 0.05 0.01 -0.00 -0.01 0.00 0.14 0.11 -0.00 -0.01 0.01 0.03 0.10 -0.07 0.00 0.00 -0.00 -0.01 -0.06 0.09 0.02 -0.00 0.01 0.00 -0.00 0.01 0.05 0.02 -0.15 -0.03 0.03 -0.09 0.00 -0.00 0.01 0.04 0.02 -0.02 -0.11 -0.08 -0.04 0.01 0.00 -0.03 -0.01 -0.01 0.03 -0.33 0.14 0.69 -0.00 -0.00 -0.00 -0.02 0.06 -0.00 0.04 0.03 0.02 -0.00 0.00 -0.00 0.03 -0.06 0.02 0.02 0.03 0.02 0.00 -0.01 0.00 0.06 0.05 0.00 -0.04 0.04 -0.03 0.01 0.00 -0.03 -0.12 0.04 -0.05 0.00 -0.11 0.16 -0.00 -0.00 -0.00 0.04 0.11 0.06 0.00 0.01 0.00 -0.00 0.00 -0.00 0.05 -0.17 0.07 -0.00 -0.04 0.06 -0.01 0.04 -0.01 0.01 0.04 -0.03 0.01 -0.00 -0.01 -0.23 -0.09 -0.08 -0.00 0.03 -0.02 -0.02 0.00 -0.02 0.16 0.33 0.44 -0.01 0.01 -0.01 0.07 -0.08 0.13 0.12 -0.29 -0.15 0.21 -0.08 0.15 -0.00 -0.00 0.01 0.20 0.06 0.04 -0.00 -0.00 0.00 -0.01 0.04 -0.03 -0.01 -0.01 -0.01 -0.03 0.14 -0.10 0.07 -0.03 0.04 -0.00 -0.00 0.00 0.01 0.03 -0.08 0.00 0.01 -0.02 -0.00 -0.01 -0.00 0.01 -0.03 0.08 0.05 0.11 0.03 0.00 -0.00 -0.00 -0.03 0.01 0.07 0.05 -0.01 -0.07 0.00 -0.00 -0.01 0.02 -0.05 -0.00 -0.06 0.21 0.18 -0.01 0.01 0.00 0.04 -0.02 -0.01 0.08 -0.01 -0.03 0.00 0.00 0.00 -0.03 -0.11 -0.06 -0.03 0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.08 -0.20 -0.07 0.05 0.04 0.00 -0.00 0.00 -0.00 0.01 -0.05 0.03 -0.09 0.17 0.03 0.00 0.02 -0.01 0.13 -0.12 0.11 -0.00 -0.01 0.00 0.18 0.09 0.06 0.00 0.05 -0.05 0.01 -0.00 -0.02 -0.06 -0.06 0.01 -0.01 0.00 -0.01 0.10 -0.04 0.11 -0.03 0.25 0.54 0.10 -0.04 0.10 -0.01 -0.01 0.00 0.12 0.06 0.04 -0.00 -0.01 0.00 0.01 0.11 -0.09 0.00 0.00 -0.00 -0.00 -0.03 0.05 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.04 0.07 0.01 0.07 0.02 -0.00 0.00 -0.01 -0.00 0.05 -0.01 0.09 -0.05 0.07 -0.01 -0.00 0.00 0.00 0.03 -0.02 -0.05 -0.01 0.01 0.03 0.00 -0.01 -0.00 0.01 -0.13 -0.11 -0.01 0.25 0.22 -0.00 -0.00 -0.02 -0.06 -0.08 0.07 0.05 0.06 0.02 0.00 -0.00 0.01 0.05 0.01 -0.02 -0.05 0.04 -0.03 0.00 0.00 -0.00 -0.02 -0.03 -0.01 0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.01 0.03 0.03 0.03 0.02 0.00 -0.00 -0.01 0.00 -0.09 0.30 -0.12 -0.01 0.18 -0.33 -0.02 -0.02 0.00 -0.05 -0.17 0.12 0.00 -0.01 -0.01 -0.51 -0.21 -0.18 0.00 -0.03 0.03 -0.00 0.00 -0.01 -0.01 0.01 0.04 0.00 -0.01 0.00 -0.01 0.11 -0.10 -0.00 0.01 0.01 -0.19 0.06 -0.08 0.01 0.01 0.01 0.07 -0.03 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.04 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.04 0.00 -0.01 0.03 0.00 -0.00 -0.00 -0.04 -0.02 0.01 -0.09 0.01 -0.03 0.02 -0.00 0.00 -0.05 0.07 0.10 0.03 -0.05 -0.12 0.00 -0.01 -0.00 -0.02 -0.01 -0.09 0.06 0.15 0.13 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.14 0.02 0.06 -0.01 -0.01 0.00 0.09 0.21 0.08 0.00 -0.03 0.01 -0.00 0.00 0.00 -0.01 -0.06 -0.01 0.00 0.02 -0.02 0.01 -0.02 -0.01 0.19 0.52 0.23 -0.04 -0.04 -0.00 0.00 -0.00 -0.00 -0.03 0.10 -0.05 -0.02 0.02 -0.02 -0.02 -0.01 0.00 0.01 -0.11 0.06 0.01 -0.03 0.01 0.07 0.06 0.01 0.00 -0.02 0.01 0.00 -0.00 0.02 -0.03 -0.10 -0.17 0.00 -0.00 -0.00 -0.03 0.04 -0.06 -0.03 -0.00 -0.16 0.01 -0.01 0.05 -0.02 -0.02 0.00 0.43 0.17 0.11 0.00 0.00 -0.00 0.00 -0.03 0.03 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.03 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.05 0.04 -0.03 -0.03 0.04 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.09 0.02 -0.03 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.05 -0.00 0.00 -0.01 0.07 -0.07 0.19 -0.17 0.13 0.11 0.00 -0.00 0.00 0.01 0.03 -0.02 -0.06 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.08 0.04 0.04 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.03 0.07 0.04 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.07 -0.29 0.14 -0.10 0.36 -0.31 0.06 0.06 -0.03 -0.08 0.32 -0.28 0.00 -0.00 0.00 -0.09 -0.05 -0.03 -0.01 -0.12 0.14 0.00 -0.00 0.00 -0.00 -0.02 -0.04 0.01 -0.00 0.00 -0.05 0.04 -0.07 -0.00 0.02 0.04 -0.08 0.03 -0.06 -0.00 -0.00 0.00 0.06 0.03 0.02 -0.00 0.01 -0.00 -0.05 -0.09 0.06 -0.01 -0.00 -0.01 -0.04 -0.09 0.17 0.04 0.03 -0.05 -0.01 -0.02 0.00 -0.02 0.08 -0.09 0.06 0.09 -0.21 -0.02 -0.01 -0.01 -0.03 -0.03 0.05 0.62 0.24 0.25 0.00 0.00 -0.01 -0.01 0.01 0.02 -0.06 0.02 0.12 0.00 0.00 -0.00 0.01 -0.02 0.02 -0.03 0.03 0.03 -0.00 -0.00 0.00 -0.02 0.03 -0.01 0.14 -0.04 -0.08 -0.00 0.00 -0.00 -0.04 -0.04 -0.01 0.02 -0.02 0.01 -0.00 -0.01 -0.01 0.14 0.41 0.10 -0.00 -0.04 0.04 0.00 -0.00 0.00 0.03 0.07 0.03 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.08 -0.01 0.02 -0.01 -0.05 0.01 -0.02 -0.01 -0.00 -0.01 0.37 0.15 0.13 0.00 -0.09 0.12 -0.01 0.00 -0.00 0.02 0.07 0.12 -0.01 -0.01 -0.01 -0.01 0.07 -0.08 0.02 -0.09 -0.14 0.15 -0.07 0.24 -0.00 -0.01 -0.01 -0.05 0.01 0.01 0.01 0.00 -0.01 -0.04 0.01 -0.04 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.04 -0.00 0.00 -0.00 -0.11 -0.04 -0.04 0.12 0.04 0.05 -0.01 -0.00 0.00 0.03 -0.05 -0.06 -0.01 0.03 0.06 -0.00 0.00 0.00 -0.02 0.00 -0.06 0.07 -0.05 -0.05 0.01 -0.00 -0.00 0.02 0.01 -0.02 -0.32 0.05 0.14 -0.01 -0.01 -0.00 0.20 0.43 0.17 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.03 0.08 0.02 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.05 0.15 0.09 0.03 0.03 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.14 0.16 0.13 -0.01 0.00 0.00 0.27 -0.09 0.13 -0.01 -0.02 -0.01 0.36 0.15 0.12 -0.00 0.06 -0.09 -0.01 -0.00 -0.00 0.05 0.10 0.09 0.01 0.00 0.01 0.01 0.01 0.01 0.03 -0.10 -0.08 -0.26 0.11 -0.27 -0.00 -0.01 -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 0.03 -0.04 0.06 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.02 -0.03 -0.00 -0.01 0.03 -0.00 -0.00 0.00 0.06 0.01 0.03 -0.03 0.00 -0.01 -0.01 -0.00 0.00 0.03 -0.04 -0.05 0.01 0.02 0.03 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.03 0.10 0.09 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.28 -0.06 -0.13 0.01 0.01 0.00 -0.15 -0.30 -0.11 0.01 0.01 0.01 0.00 0.00 -0.00 -0.03 -0.08 -0.02 0.00 0.00 0.01 0.01 -0.01 -0.00 0.14 0.38 0.16 -0.04 -0.05 -0.01 0.00 -0.00 -0.00 -0.01 0.04 -0.01 -0.16 0.17 0.16 -0.00 -0.00 0.00 0.29 0.02 0.04 -0.00 -0.02 -0.01 0.05 0.01 0.02 -0.00 0.08 -0.02 -0.00 -0.00 0.02 -0.01 -0.04 -0.08 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.10 0.03 -0.01 0.02 0.01 0.01 -0.00 -0.17 -0.06 -0.04 0.01 -0.00 0.00 -0.05 0.01 -0.05 -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 -0.03 0.04 -0.03 -0.00 -0.02 0.01 -0.00 0.00 -0.35 -0.13 -0.08 -0.01 0.10 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.06 -0.16 0.02 0.45 0.38 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.05 0.01 0.02 0.00 -0.00 0.00 0.02 0.02 0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.05 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.03 -0.09 -0.04 0.00 0.01 0.00 0.01 -0.01 0.00 -0.05 0.18 -0.08 0.02 -0.20 0.26 -0.04 -0.02 0.01 -0.01 0.36 -0.30 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.03 0.08 0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.00 0.01 0.01 0.12 -0.10 0.18 -0.00 0.00 -0.02 -0.08 0.04 -0.19 -0.00 -0.00 0.00 0.04 0.02 0.01 0.01 -0.01 -0.00 -0.07 0.17 -0.20 0.01 -0.00 0.00 0.02 0.10 -0.15 -0.04 -0.01 0.01 -0.00 -0.01 -0.01 -0.05 -0.08 0.22 0.03 0.04 -0.10 0.01 0.00 0.00 -0.25 -0.08 -0.09 -0.14 -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.04 0.00 0.01 0.00 0.03 -0.08 0.00 -0.05 -0.11 -0.09 0.01 0.00 -0.01 0.04 -0.04 0.01 -0.39 0.09 0.19 0.01 0.01 0.01 -0.13 -0.33 -0.14 -0.03 0.06 -0.02 -0.00 -0.02 0.00 0.17 0.39 0.12 -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.02 0.06 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 -0.02 0.07 -0.07 0.01 0.01 -0.00 0.01 -0.07 0.06 -0.00 -0.01 -0.00 0.03 0.01 0.01 0.00 -0.24 0.20 0.00 0.00 0.01 -0.02 -0.03 -0.02 -0.00 0.00 0.00 0.06 -0.05 0.10 -0.01 -0.01 -0.10 -0.01 0.00 -0.07 0.00 0.00 -0.00 -0.06 -0.02 -0.01 0.00 -0.00 -0.01 0.05 0.10 -0.07 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.04 0.08 -0.04 0.10 0.03 0.01 -0.02 -0.00 -0.01 0.65 0.20 0.24 0.05 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.04 0.13 0.05 0.02 0.17 0.15 0.01 -0.00 -0.01 0.03 -0.00 -0.02 -0.36 0.07 0.16 0.00 -0.00 0.00 -0.04 -0.10 -0.04 -0.01 0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.06 -0.02 -0.00 -0.06 0.11 -0.01 -0.01 0.00 0.01 0.13 -0.11 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 0.01 -0.11 -0.00 -0.00 -0.00 0.02 0.03 0.01 0.00 -0.01 -0.00 -0.07 0.06 -0.11 0.01 -0.02 0.02 0.04 -0.02 0.10 0.00 0.00 -0.00 -0.03 -0.01 -0.00 -0.01 0.00 0.00 0.08 -0.10 0.15 0.01 -0.00 0.01 0.03 0.15 -0.23 -0.06 -0.02 0.02 -0.01 -0.01 -0.01 -0.09 -0.05 0.29 0.13 0.08 -0.11 0.00 0.00 0.00 0.25 0.08 0.08 -0.31 -0.11 -0.12 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.05 -0.00 -0.01 -0.00 -0.02 0.07 0.01 0.03 0.06 0.05 -0.01 -0.00 0.01 -0.02 0.02 -0.00 0.29 -0.06 -0.13 -0.01 -0.00 -0.00 0.07 0.19 0.08 0.02 -0.04 0.01 -0.01 -0.02 0.01 0.22 0.50 0.15 -0.02 -0.02 -0.06 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 0.05 -0.02 0.00 -0.03 0.05 -0.00 -0.00 0.00 0.01 0.03 -0.02 -0.01 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.05 0.06 -0.00 -0.00 0.00 0.02 0.02 -0.00 -0.02 -0.00 0.01 0.11 0.13 -0.01 -0.01 0.02 -0.01 0.12 -0.05 -0.13 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.06 0.02 0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.04 -0.00 0.04 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.07 -0.02 0.07 0.05 0.02 -0.01 0.00 -0.00 0.02 -0.05 0.07 0.12 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.05 -0.03 0.03 0.05 0.04 -0.04 0.02 0.01 0.42 -0.07 -0.37 0.31 -0.23 0.23 -0.02 0.01 -0.01 0.27 -0.11 0.03 0.01 -0.06 0.22 -0.01 -0.00 0.02 0.00 0.09 -0.20 0.17 -0.03 -0.06 -0.02 0.00 0.02 0.05 -0.06 -0.25 0.04 -0.05 -0.06 0.21 0.05 -0.02 0.09 0.03 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.03 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.07 -0.08 0.01 -0.00 0.00 0.00 -0.07 0.03 0.08 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.03 -0.01 -0.01 0.01 -0.01 -0.00 -0.07 0.13 0.08 -0.14 -0.01 -0.02 -0.01 0.00 -0.00 0.04 -0.07 0.00 0.07 0.01 0.03 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.01 0.03 0.00 -0.01 -0.02 0.00 -0.04 0.17 -0.05 0.15 0.11 0.05 0.00 -0.00 0.00 -0.02 0.02 -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.02 -0.02 0.02 -0.01 -0.00 -0.23 0.04 0.20 -0.17 0.13 -0.12 -0.03 0.02 -0.03 0.54 -0.22 0.06 0.02 -0.13 0.45 0.01 0.00 -0.01 -0.00 -0.06 0.13 -0.11 0.02 0.04 -0.01 0.00 0.01 0.04 -0.05 -0.19 -0.03 0.03 0.04 0.17 0.04 -0.02 -0.06 -0.02 -0.00 -0.00 0.00 0.00 -0.02 0.05 -0.04 -0.00 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.04 -0.01 -0.00 0.00 -0.00 0.03 -0.01 -0.03 0.00 -0.01 0.00 -0.02 0.04 0.03 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.07 0.12 0.09 -0.13 -0.01 -0.02 0.00 0.00 -0.00 -0.02 0.03 0.02 -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.03 0.10 -0.03 0.09 0.07 0.03 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 0.02 -0.01 0.01 0.02 0.02 -0.01 0.00 0.00 0.08 -0.01 -0.07 0.06 -0.05 0.05 -0.01 0.01 -0.01 0.23 -0.10 0.03 0.01 -0.05 0.19 -0.00 -0.00 0.01 0.00 0.03 -0.07 0.06 -0.01 -0.02 0.04 -0.00 -0.04 -0.14 0.17 0.64 0.01 -0.01 -0.03 -0.54 -0.14 0.06 0.03 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.02 -0.03 -0.00 -0.01 0.00 0.05 0.06 -0.00 -0.00 -0.00 0.00 0.02 0.06 -0.03 -0.04 0.06 -0.03 0.03 -0.02 -0.04 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.04 0.02 0.01 0.19 -0.35 -0.28 0.40 0.04 0.05 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.02 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 -0.03 -0.00 0.00 0.01 0.00 0.02 -0.06 0.02 -0.05 -0.04 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.04 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.05 -0.03 0.03 0.06 0.05 0.02 -0.01 -0.00 -0.21 0.03 0.18 -0.15 0.11 -0.11 -0.01 0.01 -0.01 0.18 -0.06 0.02 -0.00 -0.05 0.12 -0.02 -0.01 0.03 0.01 0.18 -0.38 0.33 -0.05 -0.11 0.00 -0.00 -0.00 -0.01 0.01 0.05 0.08 -0.09 -0.14 -0.04 -0.01 0.00 0.18 0.06 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.02 0.02 0.00 -0.00 0.00 0.02 0.03 -0.01 0.00 0.00 -0.00 -0.03 -0.07 0.03 -0.02 0.04 -0.00 -0.04 0.02 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.04 0.02 0.01 0.20 -0.36 -0.28 0.40 0.04 0.05 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.03 -0.00 -0.03 -0.00 0.00 0.01 0.00 0.02 -0.07 0.02 -0.06 -0.04 -0.03 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 0.16 -0.03 -0.14 0.11 -0.09 0.08 -0.01 0.01 -0.01 0.18 -0.06 0.02 -0.00 -0.05 0.12 0.02 0.01 -0.03 -0.01 -0.20 0.40 -0.35 0.06 0.12 0.01 -0.00 -0.01 -0.02 0.03 0.10 -0.08 0.08 0.12 -0.08 -0.02 0.01 -0.16 -0.06 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.05 0.03 0.00 -0.01 0.00 0.08 0.07 -0.02 -0.01 -0.00 0.00 0.04 0.06 -0.02 -0.05 0.07 -0.02 0.06 -0.03 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.05 0.04 -0.01 0.00 -0.00 -0.00 -0.02 0.04 0.03 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 0.04 0.03 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.06 -0.01 -0.05 0.50 -0.32 0.29 0.53 0.44 0.01 -0.00 -0.00 -0.06 0.01 0.05 -0.04 0.03 -0.03 0.00 -0.00 0.00 -0.05 0.02 -0.01 -0.00 0.01 -0.04 0.00 0.00 -0.01 -0.00 -0.05 0.09 -0.08 0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.03 0.04 0.01 0.00 -0.00 -0.05 -0.02 -0.00 0.02 -0.00 -0.01 0.06 -0.14 0.13 0.00 -0.01 -0.02 0.00 0.02 -0.01 -0.14 -0.14 0.03 -0.03 -0.01 0.02 0.21 0.34 -0.10 0.10 -0.15 0.06 0.27 -0.13 -0.30 -0.01 0.01 -0.00 0.09 -0.13 -0.11 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.03 0.07 0.04 -0.07 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.03 0.00 0.08 -0.33 0.10 -0.33 -0.22 -0.12 0.01 -0.00 0.01 -0.05 0.08 -0.10 -0.14 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.05 0.01 0.05 -0.04 0.03 -0.03 -0.01 0.01 -0.01 0.12 -0.05 0.01 0.01 -0.03 0.11 -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 0.02 -0.10 0.11 0.16 -0.02 -0.01 0.00 -0.22 -0.06 -0.01 0.01 -0.00 -0.00 -0.05 0.20 -0.16 0.01 -0.03 -0.03 0.00 -0.01 0.00 0.06 0.06 -0.02 -0.03 -0.01 0.02 0.22 0.36 -0.10 -0.05 0.09 -0.01 0.29 -0.14 -0.32 0.01 -0.02 0.00 -0.13 0.16 0.14 0.00 0.00 0.00 -0.04 -0.02 -0.01 -0.01 0.00 0.00 0.05 -0.10 -0.06 0.10 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.02 0.00 -0.01 -0.03 -0.00 -0.08 0.33 -0.10 0.33 0.22 0.11 0.01 -0.00 0.00 -0.03 0.05 -0.07 -0.10 -0.01 0.00 0.00 0.01 0.00 0.01 -0.09 0.06 -0.05 -0.10 -0.08 0.01 -0.00 -0.00 -0.06 0.01 0.06 -0.04 0.03 -0.03 0.01 -0.01 0.01 -0.11 0.04 -0.01 -0.01 0.03 -0.10 0.00 0.00 -0.00 -0.00 -0.05 0.06 -0.06 0.01 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.03 -0.06 0.07 0.09 0.03 0.01 -0.01 -0.14 -0.04 -0.01 -0.01 0.00 0.00 -0.01 0.03 -0.03 0.03 -0.13 -0.15 -0.00 0.00 -0.00 -0.03 -0.03 0.01 -0.01 -0.00 0.01 0.07 0.11 -0.04 0.02 -0.04 0.01 0.09 -0.04 -0.10 0.00 -0.00 0.00 -0.02 0.02 0.02 0.01 0.01 0.01 -0.18 -0.05 -0.07 0.00 0.00 -0.00 -0.02 0.03 0.02 -0.04 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.11 -0.15 0.38 0.11 -0.40 -0.02 0.00 0.00 0.00 0.01 -0.03 0.01 -0.03 -0.02 -0.01 -0.04 0.01 -0.02 0.17 -0.28 0.34 0.48 0.09 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.09 -0.00 0.06 -0.05 0.05 -0.04 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.01 -0.04 0.08 -0.07 0.01 0.02 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.04 -0.05 -0.03 -0.01 -0.00 0.00 0.08 0.02 0.00 0.01 -0.00 -0.00 -0.13 0.48 -0.40 -0.00 0.02 0.02 0.00 0.01 -0.00 -0.09 -0.09 0.02 0.01 0.00 -0.00 -0.04 -0.06 0.02 0.07 -0.11 0.03 -0.05 0.02 0.06 0.03 -0.05 0.00 -0.30 0.39 0.34 -0.00 -0.00 -0.00 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.02 0.03 0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.03 -0.01 0.03 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.02 0.00 0.01 0.02 0.00 0.05 -0.21 0.07 -0.21 -0.16 -0.11 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.02 0.03 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.07 -0.03 0.01 0.00 -0.02 0.06 -0.00 -0.00 0.00 0.00 0.03 -0.06 0.05 -0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.05 -0.03 0.04 0.05 0.04 0.02 -0.01 -0.07 -0.02 -0.00 -0.03 0.01 0.01 -0.03 0.02 -0.03 -0.01 0.03 0.04 -0.00 -0.01 0.00 0.04 0.05 0.00 -0.01 -0.01 0.01 0.08 0.14 -0.04 -0.03 0.03 -0.03 0.11 -0.05 -0.12 0.00 -0.00 0.00 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.05 0.01 0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.02 0.11 0.17 -0.42 -0.13 0.43 0.02 0.00 0.01 0.00 0.03 -0.10 0.03 -0.10 -0.07 -0.04 -0.02 0.00 -0.01 0.08 -0.13 0.19 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 -0.03 0.02 -0.01 -0.03 -0.03 0.01 -0.00 -0.00 -0.07 0.01 0.06 -0.04 0.04 -0.03 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.02 -0.11 0.20 -0.17 0.03 0.06 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.16 -0.18 -0.24 -0.00 -0.00 0.00 0.34 0.10 0.02 -0.03 0.00 0.02 -0.04 0.03 -0.04 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.04 0.05 -0.00 -0.01 -0.00 0.00 0.04 0.07 -0.02 -0.03 0.03 -0.04 0.06 -0.03 -0.06 0.00 -0.00 0.00 -0.02 0.04 0.03 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.05 0.03 -0.05 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.02 -0.01 -0.07 -0.11 0.27 0.08 -0.27 -0.01 0.00 0.01 0.00 0.02 -0.06 0.02 -0.06 -0.05 -0.03 0.03 -0.01 0.01 -0.12 0.20 -0.27 -0.39 -0.04 0.02 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.04 0.00 -0.03 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.02 0.01 0.00 -0.02 -0.02 -0.11 0.22 -0.18 0.03 0.06 -0.00 -0.00 0.00 0.01 -0.02 -0.02 0.20 -0.20 -0.34 0.02 0.01 -0.00 0.43 0.14 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.12 0.42 0.50 0.00 0.01 -0.00 -0.07 -0.07 0.02 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.05 -0.08 0.02 0.02 -0.01 -0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.03 -0.03 -0.04 0.59 0.15 0.22 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.04 -0.01 -0.01 0.00 0.01 -0.01 -0.08 -0.07 0.13 0.06 -0.12 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 0.04 0.03 0.02 -0.01 0.00 -0.00 0.04 -0.07 0.07 0.11 0.02 0.00 0.00 0.00 0.00 0.00 -0.04 0.02 -0.02 -0.04 -0.04 0.01 -0.00 -0.00 -0.10 0.03 0.09 -0.07 0.06 -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.01 0.05 0.07 -0.01 -0.05 0.01 0.45 0.44 -0.12 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.32 0.51 -0.14 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.01 0.08 0.02 0.03 0.01 -0.01 -0.00 -0.06 0.11 0.06 -0.09 -0.02 -0.01 -0.00 0.00 0.00 0.02 -0.02 -0.01 0.03 0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.03 0.06 0.02 -0.06 -0.00 0.01 0.02 0.00 0.05 -0.18 0.06 -0.17 -0.12 -0.07 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.03 0.01 -0.00 0.00 0.01 0.00 0.01 -0.07 0.04 -0.06 -0.08 -0.06 0.00 -0.00 -0.00 -0.02 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.00 -0.01 0.03 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.03 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 0.07 0.10 -0.00 -0.00 0.00 -0.14 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 0.02 0.00 0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.06 0.02 0.01 0.38 -0.53 -0.22 0.66 0.19 0.14 0.00 0.00 0.00 -0.04 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.03 0.02 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.09 0.03 -0.01 -0.00 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 -0.01 -0.03 0.05 0.07 0.00 -0.00 -0.00 -0.05 -0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 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 0.15 0.05 0.04 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.09 -0.06 -0.04 -0.03 0.10 0.04 -0.00 -0.00 0.00 -0.01 0.04 0.01 0.01 0.00 -0.04 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.04 -0.08 0.04 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.02 -0.03 -0.00 -0.00 0.00 0.01 0.01 -0.06 -0.21 -0.17 0.92 0.07 -0.02 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.07 0.08 0.09 0.04 0.02 -0.01 -0.06 -0.16 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.05 -0.06 -0.07 -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 0.02 -0.04 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.09 0.03 -0.03 0.00 -0.02 0.02 0.00 -0.02 0.02 0.01 0.01 0.03 -0.08 0.25 -0.27 -0.03 0.03 -0.04 0.43 -0.44 0.61 0.03 0.01 -0.06 0.00 0.00 -0.00 -0.01 -0.01 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.04 0.04 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.12 0.01 0.01 0.01 0.01 -0.00 0.02 -0.01 0.00 0.00 0.01 0.00 0.02 -0.01 -0.02 -0.13 -0.07 0.02 -0.03 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.04 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 0.00 -0.00 0.00 -0.03 0.06 0.02 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.03 0.01 -0.01 -0.01 0.07 -0.09 -0.01 0.04 -0.04 -0.03 -0.02 -0.06 0.17 -0.57 0.61 -0.01 0.01 -0.02 0.20 -0.20 0.28 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.02 0.01 0.00 0.00 0.00 0.03 -0.09 -0.12 0.02 -0.02 -0.03 -0.02 0.03 0.05 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.07 0.06 -0.01 -0.00 0.00 0.00 0.02 -0.02 -0.02 0.07 0.04 -0.01 -0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.04 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.08 -0.20 -0.06 -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 -0.03 0.08 0.03 -0.03 0.05 -0.36 0.42 -0.00 0.01 -0.01 -0.01 -0.00 -0.02 0.05 -0.16 0.17 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.05 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.18 0.05 0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.08 0.03 0.01 -0.26 -0.15 -0.09 -0.00 -0.00 -0.01 -0.12 0.39 0.49 -0.01 0.01 0.02 0.01 -0.01 -0.01 -0.07 -0.00 -0.01 0.00 0.00 -0.00 0.05 -0.04 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.08 -0.04 0.01 0.05 0.14 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.03 0.01 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.17 -0.40 -0.13 -0.02 0.00 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.02 0.13 0.05 -0.04 0.04 -0.32 0.37 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.03 0.01 0.01 0.54 -0.17 -0.05 -0.02 0.03 -0.04 -0.00 -0.00 -0.00 0.06 0.02 0.01 0.08 0.04 0.02 -0.00 -0.00 -0.00 0.08 -0.23 -0.29 -0.01 -0.02 -0.02 0.04 -0.04 -0.07 0.12 0.01 0.02 -0.00 -0.01 0.00 -0.05 0.05 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.08 0.04 -0.01 0.06 0.16 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.08 -0.05 -0.03 0.01 -0.03 -0.01 0.01 -0.04 -0.00 -0.25 0.58 0.19 0.05 0.00 -0.14 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.00 0.01 -0.01 -0.06 -0.02 0.02 0.02 -0.13 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.04 -0.05 0.07 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.00 0.00 -0.03 0.01 0.00 0.48 -0.15 -0.04 -0.02 0.03 -0.04 -0.01 -0.00 -0.00 0.18 0.06 0.02 0.16 0.08 0.04 -0.00 -0.01 -0.02 -0.05 0.17 0.22 -0.03 -0.03 -0.03 0.14 -0.14 -0.24 -0.06 -0.00 -0.01 -0.00 -0.01 0.00 -0.09 0.08 -0.02 -0.00 -0.00 0.00 0.01 -0.02 -0.02 0.12 0.06 -0.02 0.02 0.06 -0.00 -0.01 0.02 0.01 0.01 -0.10 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.13 -0.04 -0.04 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.05 0.03 0.02 -0.01 0.03 0.01 -0.01 0.02 0.00 0.14 -0.32 -0.11 -0.03 -0.00 0.09 -0.00 0.01 -0.00 -0.02 -0.00 -0.01 0.05 -0.09 0.04 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.02 0.17 -0.20 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.05 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.14 -0.04 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.22 -0.08 -0.03 0.48 0.26 0.13 0.00 0.01 0.02 -0.09 0.25 0.33 -0.00 -0.01 -0.01 -0.07 0.06 0.11 0.03 0.00 0.00 -0.01 0.00 -0.00 0.07 -0.06 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.05 0.03 -0.01 0.03 0.07 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.01 -0.01 0.76 0.26 0.23 -0.00 -0.07 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.04 -0.10 -0.03 0.07 0.03 -0.19 0.01 -0.02 0.01 0.03 0.00 0.01 -0.14 0.25 -0.12 0.00 -0.00 0.00 -0.03 -0.01 0.01 -0.01 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.02 -0.11 0.01 0.00 0.00 -0.01 0.00 0.00 0.10 -0.03 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.14 -0.05 -0.02 0.05 0.02 0.01 0.00 0.01 0.01 -0.03 0.09 0.12 -0.02 -0.01 -0.00 0.19 -0.19 -0.31 0.04 0.00 0.00 -0.00 0.00 -0.00 0.05 -0.04 0.01 0.01 0.02 -0.00 -0.02 0.03 0.03 -0.04 -0.02 0.01 -0.13 -0.33 0.01 -0.01 0.02 0.02 0.00 -0.05 0.08 -0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.01 -0.00 -0.00 0.22 0.08 0.07 -0.00 -0.02 -0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.03 -0.09 -0.04 -0.00 -0.00 0.00 -0.03 0.06 0.02 0.03 0.01 -0.09 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.03 -0.05 0.02 -0.01 0.01 -0.01 0.16 0.06 -0.04 0.02 -0.19 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 0.00 -0.00 0.00 -0.05 0.06 -0.08 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.04 0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.33 0.10 0.03 0.02 -0.02 0.03 -0.02 -0.01 -0.00 0.33 0.12 0.05 0.36 0.21 0.11 -0.01 -0.02 -0.03 0.02 -0.09 -0.11 -0.00 -0.00 -0.00 -0.06 0.06 0.10 -0.05 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.02 0.01 0.05 -0.07 -0.08 0.08 0.04 -0.01 0.17 0.43 -0.01 0.00 -0.01 0.00 -0.01 0.08 -0.11 0.00 -0.00 -0.00 -0.02 0.03 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.03 0.02 0.01 0.05 -0.15 -0.06 -0.00 0.01 -0.00 0.05 -0.11 -0.04 -0.03 -0.01 0.07 0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.04 -0.02 -0.02 -0.02 0.02 0.33 0.11 -0.08 -0.03 0.20 -0.23 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.04 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.08 0.02 0.01 0.00 0.00 -0.00 -0.04 -0.01 -0.00 0.61 0.22 0.09 0.03 0.02 0.01 -0.01 -0.03 -0.07 -0.01 0.04 0.05 0.01 0.01 0.01 0.23 -0.22 -0.37 0.03 0.00 0.00 0.00 0.01 -0.00 0.06 -0.05 0.01 -0.02 -0.04 0.01 0.05 -0.07 -0.07 -0.10 -0.05 0.02 0.24 0.61 -0.01 -0.02 0.02 0.02 0.00 -0.05 0.09 -0.00 0.00 0.00 0.02 -0.02 -0.03 -0.01 -0.00 -0.00 0.10 0.03 0.03 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.04 0.02 -0.00 -0.00 0.00 -0.02 0.04 0.02 0.02 0.01 -0.07 -0.00 0.01 -0.01 -0.03 -0.01 -0.02 0.10 -0.18 0.08 0.00 0.01 -0.01 -0.07 -0.02 0.01 0.01 -0.08 0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 -0.00 0.00 -0.01 0.06 -0.07 0.10 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.01 -0.06 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.27 0.08 0.02 0.01 -0.00 0.01 0.01 0.00 0.00 -0.20 -0.07 -0.03 -0.15 -0.08 -0.04 0.01 0.01 0.02 0.02 -0.05 -0.07 -0.03 -0.01 -0.00 -0.21 0.20 0.33 0.05 0.00 0.01 -0.01 -0.01 0.00 -0.07 0.06 -0.02 -0.01 -0.01 0.01 0.07 -0.08 -0.09 0.16 0.08 -0.03 0.10 0.26 -0.00 0.01 -0.01 -0.02 0.01 -0.04 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.15 -0.05 -0.05 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.04 -0.03 -0.02 -0.02 0.07 0.03 0.00 -0.00 0.00 -0.03 0.07 0.03 0.02 0.01 -0.06 0.01 -0.02 0.01 0.04 0.01 0.02 -0.14 0.24 -0.11 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.20 0.24 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 0.05 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.33 0.10 0.03 0.02 -0.02 0.02 0.01 0.00 0.00 -0.18 -0.06 -0.03 0.40 0.23 0.12 0.00 0.01 0.02 0.02 -0.10 -0.12 0.01 0.01 0.01 0.07 -0.07 -0.11 0.13 0.01 0.01 -0.04 -0.03 0.01 -0.17 0.12 -0.04 -0.01 0.02 0.01 0.12 -0.13 -0.16 0.72 0.38 -0.13 -0.04 -0.10 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.03 0.03 0.04 -0.00 -0.00 -0.00 0.02 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.01 -0.01 0.00 0.01 0.02 -0.05 -0.01 0.07 0.03 -0.20 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.07 -0.12 0.05 -0.00 -0.00 0.00 0.06 0.02 -0.02 -0.00 0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.03 0.04 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.15 -0.08 -0.04 0.00 0.00 0.00 0.05 -0.14 -0.18 -0.00 0.00 0.00 0.04 -0.04 -0.06 -0.35 -0.02 -0.04 -0.03 0.00 -0.00 0.19 -0.17 0.05 -0.00 0.01 0.01 0.08 -0.09 -0.11 0.25 0.14 -0.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.02 0.01 0.01 0.07 -0.09 -0.10 -0.01 -0.00 -0.00 0.14 0.05 0.04 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.09 0.06 0.03 0.02 -0.07 -0.03 0.02 -0.00 -0.04 -0.05 0.14 0.03 -0.23 -0.08 0.64 0.00 -0.01 0.00 0.01 0.00 0.00 -0.05 0.08 -0.04 0.02 0.01 -0.01 -0.28 -0.09 0.08 0.01 -0.05 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.06 0.07 -0.00 0.00 -0.00 0.02 -0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 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 0.07 0.02 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 -0.04 0.04 0.07 0.63 0.05 0.08 -0.01 0.00 -0.00 0.09 -0.08 0.02 0.00 -0.00 -0.00 -0.03 0.04 0.05 0.02 0.02 -0.01 0.01 0.03 -0.00 0.00 0.00 -0.01 0.01 -0.05 0.06 -0.03 -0.01 -0.01 -0.10 0.10 0.12 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.00 -0.00 0.46 0.29 0.17 0.09 -0.31 -0.13 0.01 0.00 -0.01 -0.00 -0.02 -0.01 -0.06 -0.02 0.17 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.05 -0.09 0.04 0.01 0.00 -0.00 -0.10 -0.03 0.03 0.00 -0.02 0.02 0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 0.06 -0.07 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.02 0.09 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.01 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.08 -0.08 -0.13 0.13 0.01 0.01 -0.01 0.01 -0.00 0.14 -0.12 0.04 0.00 0.00 0.00 0.01 -0.01 -0.01 0.03 0.02 -0.01 -0.01 -0.03 0.00 -0.01 0.01 0.00 0.00 -0.04 0.06 -0.00 -0.01 -0.01 -0.13 0.17 0.19 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.00 -0.09 0.28 0.12 0.01 -0.01 -0.02 -0.07 0.17 0.05 -0.10 -0.04 0.28 0.01 -0.02 0.01 0.03 0.00 0.01 -0.14 0.25 -0.11 -0.04 -0.01 0.01 0.60 0.20 -0.17 -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.03 -0.04 0.00 -0.00 0.00 -0.02 0.02 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.22 -0.08 -0.04 -0.08 -0.04 -0.02 0.01 0.02 0.04 -0.00 0.02 0.03 0.01 0.01 0.01 0.17 -0.17 -0.28 0.05 0.01 0.01 0.01 -0.01 0.00 -0.17 0.15 -0.04 0.00 -0.00 -0.00 -0.04 0.04 0.05 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.02 0.01 0.01 -0.10 0.14 -0.00 0.00 0.00 0.02 -0.03 -0.03 0.01 0.00 0.00 -0.16 -0.06 -0.05 -0.00 0.02 0.01 -0.01 0.01 0.00 0.03 0.03 0.02 0.06 -0.19 -0.08 -0.00 0.00 0.01 0.03 -0.07 -0.02 0.03 0.01 -0.09 0.02 -0.04 0.02 0.07 0.01 0.03 -0.34 0.60 -0.28 0.01 0.00 -0.00 -0.18 -0.06 0.05 0.00 0.03 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.04 -0.02 0.13 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.10 0.04 0.02 -0.14 -0.08 -0.04 -0.00 -0.01 -0.01 0.01 -0.03 -0.04 -0.00 -0.00 -0.00 0.06 -0.06 -0.08 0.32 0.03 0.04 -0.00 0.00 0.00 0.02 -0.02 0.01 0.00 -0.01 -0.01 -0.07 0.07 0.09 0.03 0.02 -0.01 0.02 0.03 -0.00 -0.00 -0.01 0.03 -0.03 0.24 -0.33 -0.02 -0.00 -0.00 -0.02 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.02 0.03 0.00 0.00 -0.20 0.60 0.25 -0.00 0.01 -0.00 0.05 -0.11 -0.04 -0.03 -0.01 0.08 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.05 0.08 -0.04 0.02 0.01 -0.01 -0.31 -0.10 0.09 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.06 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.24 0.09 0.04 0.07 0.04 0.02 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.13 -0.01 -0.02 -0.00 -0.02 0.01 -0.17 0.15 -0.04 0.02 -0.04 -0.04 -0.45 0.47 0.58 0.21 0.11 -0.04 0.07 0.14 -0.02 0.00 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.00 -0.00 -0.03 0.05 0.05 -0.01 -0.00 -0.00 0.09 0.03 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.04 -0.02 0.00 -0.00 -0.01 -0.02 0.05 0.01 -0.04 -0.02 0.12 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.06 0.03 -0.00 0.00 -0.00 0.05 0.02 -0.01 0.00 -0.02 0.02 -0.00 0.01 -0.01 0.01 0.02 0.01 0.03 -0.09 0.09 0.00 -0.00 0.00 -0.03 0.04 -0.05 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.05 -0.06 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.09 0.01 0.01 -0.05 0.02 -0.01 0.55 -0.50 0.15 0.01 -0.01 -0.01 -0.10 0.11 0.13 0.17 0.11 -0.04 0.02 0.03 -0.00 0.00 0.00 -0.01 0.01 -0.09 0.11 -0.00 -0.01 -0.01 -0.06 0.08 0.10 0.01 0.00 0.00 -0.19 -0.07 -0.06 0.01 -0.00 0.00 0.02 0.02 0.01 -0.31 -0.18 -0.11 0.04 -0.10 -0.04 -0.01 0.01 0.01 0.05 -0.11 -0.03 0.07 0.03 -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.04 -0.02 0.01 0.00 -0.00 -0.12 -0.04 0.03 0.00 0.02 -0.02 -0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 0.06 0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.05 0.06 0.00 0.00 0.00 -0.02 0.02 0.03 0.02 -0.01 -0.01 0.02 -0.01 0.00 -0.20 0.18 -0.05 -0.00 0.00 0.01 0.07 -0.07 -0.09 -0.08 -0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.08 0.11 0.02 -0.03 -0.03 -0.33 0.45 0.51 -0.01 -0.00 -0.00 0.09 0.04 0.03 -0.01 -0.00 -0.00 0.02 0.02 0.01 -0.31 -0.19 -0.11 0.03 -0.06 -0.02 0.00 0.00 -0.01 0.03 -0.05 -0.02 -0.07 -0.02 0.21 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.05 0.02 0.01 0.01 -0.00 -0.22 -0.07 0.06 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.06 -0.07 -0.00 0.00 -0.00 0.05 -0.05 0.07 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.02 0.01 0.00 0.00 -0.07 0.08 0.10 0.19 0.02 0.03 0.00 -0.00 0.00 -0.07 0.06 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.05 0.05 -0.47 0.63 -0.02 0.01 0.01 0.11 -0.16 -0.19 -0.00 -0.00 -0.00 0.05 0.02 0.02 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.06 -0.05 -0.03 -0.10 0.29 0.12 0.00 0.00 -0.01 0.02 -0.05 -0.02 -0.04 -0.01 0.11 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.08 0.04 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.03 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.04 -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 -0.00 0.23 0.08 0.04 -0.10 -0.05 -0.03 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.02 0.03 -0.44 -0.04 -0.06 -0.01 0.00 -0.00 0.10 -0.09 0.03 -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 0.01 -0.01 0.01 -0.14 0.19 0.04 -0.01 -0.01 -0.16 0.24 0.27 0.00 0.00 0.00 -0.06 -0.02 -0.02 0.00 -0.00 -0.00 -0.02 -0.03 -0.02 0.48 0.28 0.17 -0.09 0.23 0.09 -0.01 -0.01 0.02 -0.03 0.07 0.03 0.11 0.04 -0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.10 -0.03 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 0.02 -0.02 0.03 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.11 0.04 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 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 -0.01 -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 -0.06 -0.01 -0.03 0.87 0.30 0.37 0.02 -0.08 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 0.04 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.03 -0.05 0.43 0.49 0.76 0.00 -0.05 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.01 0.01 -0.01 -0.02 -0.06 0.09 0.02 -0.01 0.00 0.00 0.00 0.05 0.35 0.93 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.05 0.07 -0.01 -0.03 0.24 -0.50 0.83 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.04 0.07 0.01 0.01 -0.11 0.76 0.57 0.00 -0.00 -0.00 -0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.01 -0.02 0.26 -0.09 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.00 -0.05 0.05 -0.03 0.03 -0.57 -0.03 0.81 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 -0.04 -0.01 -0.01 0.03 -0.22 -0.17 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.03 -0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 0.02 0.01 -0.01 0.02 -0.05 0.89 -0.30 -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 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 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 43 44 45 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 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 15.99491 1.00783 1.00783 1.00783 1.00783 270.15847 5107.94348 8210.17793 8908.59275 0.99999 -0.0052 -0.00111 0.00523 0.99955 0.02964 9.6E-4 -0.02965 0.99956 asymmetric 1 0.01696 0.01055 0.00972 0.35332 0.21982 0.20258 975125.2 28.67 51.62 58.25 68.47 74.58 76.96 80.68 88.44 90.10 94.00 99.40 104.87 115.32 122.06 136.79 158.54 203.40 220.78 224.20 242.85 254.50 260.65 262.85 270.31 278.02 281.49 291.78 298.28 304.02 308.52 320.38 324.83 337.18 339.44 345.81 356.58 357.93 363.51 368.59 376.08 394.48 407.00 420.15 435.56 443.63 482.18 585.19 586.01 608.83 615.97 625.36 672.27 722.55 734.54 768.93 785.89 791.75 809.41 834.66 845.46 869.65 873.65 889.02 930.57 941.72 958.09 969.02 982.73 1006.64 1015.90 1027.69 1034.87 1043.64 1070.78 1075.47 1124.24 1146.13 1153.42 1198.95 1216.28 1260.82 1271.32 1277.74 1284.32 2299.88 2300.58 2302.92 2306.99 2308.25 2318.02 2343.42 2346.94 2352.58 2356.27 2360.95 2365.84 2376.18 2389.59 2400.33 4705.41 4713.18 4742.08 4765.51 4815.42 4866.47 4876.11 4921.65 4933.07 4963.15 4975.37 4996.07 5004.03 5017.39 5044.38 5046.35 5050.70 5065.71 5073.87 5091.49 5105.76 5117.08 5133.59 5492.61 5505.93 5512.13 5512.66 5514.72 5517.97 5519.39 0.371406 0.408631 0.409575 0.303096 -1146.857780 -1146.820555 -1146.819611 -1146.926090 256.420 127.957 224.104 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 34.279 254.642 121.996 147.145 1 0.593 1.986 6.642 2 0.594 1.982 5.475 3 0.594 1.981 5.235 4 0.595 1.978 4.915 5 0.596 1.977 4.746 6 0.596 1.976 4.684 7 0.596 1.975 4.591 8 0.597 1.973 4.409 9 0.597 1.972 4.373 10 0.597 1.971 4.289 11 0.598 1.969 4.179 12 0.599 1.967 4.074 13 0.600 1.963 3.887 14 0.601 1.960 3.776 15 0.603 1.953 3.553 16 0.606 1.941 3.266 17 0.615 1.912 2.785 18 0.619 1.899 2.629 19 0.620 1.896 2.600 20 0.625 1.881 2.449 21 0.628 1.871 2.361 22 0.630 1.865 2.316 23 0.630 1.863 2.301 24 0.633 1.857 2.249 25 0.635 1.849 2.197 26 0.636 1.846 2.174 27 0.639 1.836 2.108 28 0.641 1.829 2.067 29 0.643 1.824 2.032 30 0.644 1.819 2.006 31 0.648 1.807 1.937 32 0.650 1.802 1.912 33 0.654 1.788 1.845 34 0.655 1.786 1.833 35 0.657 1.779 1.800 36 0.661 1.766 1.746 37 0.662 1.765 1.739 38 0.664 1.758 1.712 39 0.666 1.752 1.688 40 0.669 1.743 1.652 41 0.676 1.721 1.570 42 0.682 1.705 1.516 43 0.687 1.689 1.462 44 0.694 1.669 1.402 45 0.698 1.658 1.371 46 0.716 1.605 1.235 47 0.771 1.456 0.938 48 0.772 1.454 0.936 49 0.785 1.420 0.881 50 0.790 1.409 0.865 51 0.795 1.395 0.844 52 0.825 1.323 0.745 53 0.858 1.245 0.653 54 0.866 1.227 0.632 55 0.889 1.174 0.577 56 0.901 1.148 0.552 57 0.906 1.139 0.544 58 0.918 1.112 0.519 59 0.937 1.074 0.485 60 0.945 1.058 0.471 61 0.963 1.022 0.442 62 0.966 1.017 0.437 63 0.978 0.994 0.420 0.263270e+32 31.420402 72.348149 0.218007e+17 16.338471 37.620719 0.100000e+01 0.000000 0.000000 0.174535e+09 8.241882 18.977634 0.691910e+07 6.840049 15.749796 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9716 -5.0716 -1.4310 5.6264 -105.2520 -126.5955 -85.2115 -13.3613 -3.9379 17.9990 0.4343 -20.9092 20.4748 -13.3613 -3.9379 17.9990 115.5525 -30.1858 58.9404 -12.4741 -72.8623 -29.1407 -46.8374 -12.3947 -61.5410 61.2127 -3900.7503 -2327.4395 -1264.8972 -130.9437 -197.9487 -281.2831 49.7050 21.9942 202.7469 -1079.5917 -725.3660 -478.0826 120.4602 59.5867 49.0666 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.2291859 5.592E-9 9.713E-6 0.3714056 0.4086306 -1146.8205554 -1146.8196112 -1146.9260904 4.9743217,-1.6950582,-3.2792635,-16.0955657,-0.7715391,-15.6276617 C01 [X(H30O15)] -0.9487882 1.8219166 0.8249009 -1.1391565 -0.0060513 0.0519723 -0.0551836 -1.2587088 0.052759 0.0768393 0.037827 -1.231635 0.6538682 -0.2333222 0.1011884 -0.2383483 0.6917149 -0.1402403 0.1304745 -0.1763996 0.414203 0.7970805 0.2330291 -0.1551444 0.1703858 0.4605142 -0.0330215 -0.1269346 -0.0488135 0.445851 -1.2205177 0.0406814 0.0924681 0.0555544 -1.1363134 0.0846607 0.0879615 0.0817477 -0.9129782 0.6081597 -0.1438735 -0.2654276 -0.108453 0.406986 0.0842839 -0.2323087 0.1000649 0.6558159 -0.8826666 0.0503942 0.0319523 0.0457048 -1.1913567 -0.0670526 0.0387421 -0.0639396 -1.2215844 0.6104975 -0.2558151 -0.0493024 -0.3011452 0.651599 -0.0047443 -0.0555455 0.0059122 0.402261 0.8426398 0.2597622 0.0557146 0.2291997 0.4964234 -0.0108177 0.0294535 -0.0364473 0.3793942 0.4322318 0.1709252 0.0402188 0.2065546 0.8563237 0.2000025 0.0586115 0.1810094 0.4828765 -1.1548663 -0.0707899 -0.0803986 -0.0729252 -1.0701889 0.1776114 -0.0573475 0.1911891 -1.049788 0.465389 0.0739955 0.1924474 0.0536855 0.3817133 0.0107233 0.1573515 0.0419643 0.7977776 -1.1379096 0.0125293 0.0196978 0.0351792 -0.8914635 -0.0625695 0.0158073 -0.0574094 -1.1804296 0.592735 -0.2726724 0.0070233 -0.2223639 0.6316186 0.0420032 -0.0072882 0.0594948 0.3993087 -1.0173549 -0.1421425 0.0195737 -0.0795457 -0.8981857 0.0719105 0.0111978 0.0917778 -1.0863382 0.5616778 0.2984844 -0.1260837 0.316136 0.6777854 -0.1989928 -0.126133 -0.1996554 0.5220512 0.3208582 0.0734392 0.0277478 0.0211807 0.363338 0.001265 0.0354336 -0.0153732 0.4088379 -1.0512463 0.0261194 -0.1349171 0.0146937 -1.1106041 0.071291 -0.1275424 0.0584464 -1.0434624 0.5513066 0.1881168 -0.1075251 0.2498558 0.6054175 -0.1548606 -0.1075257 -0.1244536 0.5024769 0.4806447 -0.1826566 -0.0601079 -0.2364719 0.7385408 0.13214 -0.0567695 0.1112418 0.4387585 -1.3762882 -0.0124664 0.1191171 -0.0025136 -1.2016536 0.1447151 0.1182596 0.1538871 -0.9170914 0.6094073 -0.2924337 -0.1414468 -0.2694432 0.8002064 0.1222178 -0.1277383 0.1025869 0.4023026 0.7288861 -0.1001366 0.2462669 -0.1297061 0.4333982 -0.1389992 0.2313626 -0.1185867 0.5508502 -0.9324613 0.2271983 0.0097696 0.2640094 -0.8671953 -0.0018479 -0.0116252 0.0100525 -1.0438431 0.4180638 -0.0211181 0.0194199 -0.0473446 0.3355117 0.0027981 -0.0029791 -0.0415793 0.4048869 0.4411915 -0.1018722 -0.144535 -0.0755378 0.4390258 0.1622905 -0.1241239 0.2043232 0.8400271 -1.2339897 -0.0875575 -0.0348962 -0.0891055 -1.1975105 -0.080721 -0.0926014 -0.092695 -1.0963229 0.8702958 0.2226151 -0.0191524 0.2021123 0.5040798 -0.0055229 0.059214 0.0189798 0.3388512 0.4250854 0.0428315 0.289494 0.0377081 0.4395716 0.157147 0.2421497 0.1505631 0.9604516 -1.16673 0.042697 -0.0485912 0.0406677 -0.7668103 -0.0574733 -0.047975 -0.0154656 -1.1603413 0.4111722 -0.0186027 -0.0002128 -0.0170732 0.2886544 0.0195805 -0.0124185 -0.0412227 0.3857576 0.4213588 -0.0117259 0.0770968 -0.0136655 0.3251452 0.0234128 0.0874383 0.0500625 1.1318335 -0.9095062 -0.0512144 0.0311588 -0.0548559 -1.0225537 0.0068897 -0.0274745 0.0213564 -1.1833506 0.311467 0.0206634 0.0230354 0.0270384 0.4144061 -0.0372246 -0.0036124 -0.035841 1.1649546 0.2844682 0.0327533 -0.0155535 0.0325663 0.4112767 0.0071683 0.0543789 -0.0070711 0.3855935 -1.0293262 -0.0469442 -0.1257999 -0.0587105 -1.0324181 0.0472635 -0.1779475 0.0458693 -1.0874151 0.7761338 -0.1053081 0.4288266 -0.0993529 0.4468813 -0.1145013 0.4143196 -0.1091448 0.6852108 0.3653233 0.0132864 0.0136714 0.0044758 0.4256437 0.0101005 0.0720065 -0.0043408 0.3076456 -1.0103231 -0.0656321 0.2232086 -0.062458 -1.0916214 -0.1202525 0.184491 -0.1183945 -0.8009726 0.8711813 -0.0782383 -0.3204747 -0.0819891 0.4243255 0.0492454 -0.3456997 0.0455875 0.5276787 0.3411862 -0.0016551 -0.0889067 0.0016409 0.4329061 0.0062006 -0.0274456 0.0054737 0.3119808 -0.8733275 -0.1101765 0.1266169 -0.0763733 -1.0370282 -0.0712379 0.1007144 -0.0952541 -1.0367081 0.58899 0.269939 -0.1854112 0.2894424 0.6452958 -0.1296078 -0.1950279 -0.1330989 0.4893058 0.6223819 0.2843964 -0.1503996 0.3538291 0.6657808 -0.1588532 -0.1605033 -0.1463754 0.5085078 0.3229736 0.060356 -0.0557564 0.0090263 0.3853359 0.0210425 -0.0244333 0.0297138 0.3884792 0.4090153 -0.2318076 0.0623565 -0.2680811 0.9941925 -0.1201818 0.0727936 -0.1175694 0.4183308 171.0408344|-0.3996024|167.8066946|-1.7707997|-1.8549738|167.869514 -0.000003367 0.000004507 0.000012008 -0.000017144 -0.000000519 0.000000796 -0.000008330 -0.000007567 -0.000006405 -0.000003746 -0.000003202 -0.000025818 -0.000002175 0.000010116 0.000023162 0.000002265 0.000018484 -0.000005277 0.000005320 -0.000002693 -0.000002798 -0.000005508 0.000006809 0.000003197 -0.000014737 -0.000018015 0.000003143 -0.000004027 0.000000734 -0.000005943 0.000015818 0.000003493 0.000009311 0.000008783 0.000013143 -0.000000528 -0.000005009 -0.000003651 -0.000003378 -0.000000538 0.000005733 0.000006238 -0.000022981 -0.000022894 0.000000423 0.000000678 -0.000003328 -0.000016679 0.000002794 -0.000013913 0.000003914 -0.000009758 0.000005430 -0.000009530 -0.000014598 0.000014147 0.000010799 -0.000008839 0.000006683 -0.000007169 0.000012672 0.000010571 -0.000002755 0.000005232 -0.000008602 0.000005424 0.000009421 -0.000018699 -0.000000460 0.000004673 -0.000002885 -0.000004427 0.000000505 0.000000889 0.000004534 -0.000020654 0.000010472 0.000005912 -0.000004019 -0.000015111 -0.000015699 0.000014501 0.000002269 0.000006143 0.000004148 -0.000005942 -0.000009673 -0.000000645 0.000002755 -0.000001236 -0.000015306 0.000003599 0.000009843 0.000007342 0.000022838 0.000010150 -0.000005504 0.000000234 0.000009260 0.000000199 0.000002954 0.000000367 0.000019486 0.000006990 -0.000011309 0.000004242 -0.000007531 0.000014862 -0.000000743 0.000003432 -0.000003490 0.000015469 0.000004675 -0.000004598 0.000008161 0.000006501 0.000005588 -0.000001977 -0.000006162 0.000000896 0.000005931 0.000010976 -0.000012787 0.000014459 -0.000021538 -0.000001338 0.000012643 -0.000005046 -0.000009259 -0.000000561 0.000001709 0.000004687 -0.000004575 -0.000012849 0.000009902 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7987,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7988,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF160/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 15-agua/ CONF160 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 43 44 45 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 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 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 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 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 525 A 510 A 510 780 525 75 75 1450.3331004514 45 45 45 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) -0.0489789308 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.954911 0.000000 4.800142 6.338237 0.000000 2.739918 4.087815 4.160864 0.000000 3.245500 4.043474 3.833121 0.978904 0.000000 3.994872 6.909534 4.490582 4.612913 5.237176 0.000000 3.795648 6.625800 3.932043 3.855236 4.456715 0.979113 0.000000 2.996959 4.853047 3.609044 0.981036 1.551148 3.877636 3.033875 0.000000 3.373507 6.322865 4.958675 4.425348 5.138451 0.982194 1.556118 3.854521 0.000000 2.780448 0.981506 6.466027 4.548172 4.614454 6.671675 6.525338 5.193715 6.024652 0.000000 3.013857 1.558680 6.028285 4.790240 4.730709 6.651232 6.528881 5.340363 6.092134 0.977927 0.000000 5.087434 6.982060 0.979476 4.454286 4.299818 3.953431 3.409455 3.725703 4.578397 7.058260 6.676171 0.000000 4.831494 6.911113 1.542666 4.734887 4.706538 3.409901 3.085380 4.016212 4.030220 6.850913 6.435903 0.978282 0.000000 4.575773 4.570393 3.752275 2.787628 1.809913 6.556273 5.781463 3.153516 6.582251 5.242193 5.121716 4.484566 5.066132 0.000000 4.793898 4.165200 4.418655 3.377180 2.437428 7.241403 6.528399 3.909067 7.181922 4.906391 4.758353 5.236672 5.743034 0.983005 0.000000 5.453711 5.468264 4.103987 3.374285 2.435330 7.118573 6.280158 3.637879 7.228914 6.178361 6.073042 4.774855 5.488993 0.964975 1.560967 0.000000 5.329963 4.367694 4.687423 5.547701 4.862470 7.791633 7.413699 5.879504 7.703542 4.598935 3.844994 5.637702 5.747849 3.888097 3.368788 4.541866 0.000000 5.002547 4.581671 3.724679 5.010982 4.317558 7.074274 6.655087 5.214584 7.077899 4.814480 4.102711 4.683235 4.842959 3.354463 3.062332 3.993242 0.978776 0.000000 4.802863 3.824584 4.863464 5.493559 4.948493 7.441625 7.163198 5.841408 7.262407 3.884127 3.039708 5.754383 5.711669 4.312107 3.835456 5.089053 0.979350 1.536378 0.000000 4.426468 5.089479 1.861749 3.999009 3.399677 5.587409 5.069413 3.884146 5.771255 5.305098 4.760510 2.827613 3.121927 2.794308 3.101406 3.367478 2.853746 1.895158 3.127651 0.000000 3.631031 4.545767 2.069486 3.755857 3.350983 4.953530 4.545776 3.648276 5.035902 4.619933 4.064599 2.889461 2.898341 3.214426 3.485201 3.950332 2.967810 2.142293 2.919743 0.985062 0.000000 4.260670 4.756668 2.270723 3.331005 2.594053 5.738964 5.101032 3.340756 5.871607 5.136441 4.735524 3.174491 3.627321 1.818196 2.226512 2.428243 3.034847 2.183644 3.389152 0.980084 1.568041 0.000000 3.713608 1.810164 6.308265 3.485752 3.227890 7.387790 6.879667 4.415625 6.924711 2.781079 3.211241 6.984629 7.160078 3.558224 3.084720 4.295651 4.574388 4.692785 4.406110 5.058989 4.811347 4.417133 0.000000 3.187077 2.222888 5.728772 2.547349 2.379425 6.628032 6.062673 3.498579 6.203441 3.075122 3.510084 6.326301 6.532575 3.082396 2.871430 3.823315 4.793222 4.712148 4.658490 4.704122 4.449356 4.002320 0.966221 0.000000 4.158889 2.255585 5.972862 3.731602 3.224530 7.661806 7.117043 4.594299 7.295821 3.186970 3.340437 6.740273 6.980460 3.041625 2.369640 3.758317 3.813882 3.979165 3.798635 4.546160 4.442669 3.895837 0.980337 1.540816 0.000000 2.737503 4.211327 3.208259 4.110824 4.095592 4.154400 4.068672 3.998097 4.008774 3.921443 3.375647 3.654748 3.190250 4.568861 4.779897 5.416211 3.905476 3.387374 3.391825 2.761195 1.780558 3.230936 5.063231 4.729488 4.976336 0.000000 3.224395 5.117606 3.006643 4.500654 4.576207 3.532581 3.563885 4.178914 3.538303 4.791085 4.290148 3.217673 2.547082 5.134844 5.479214 5.905561 4.685154 4.068639 4.235986 3.121802 2.233161 3.691988 5.931553 5.510135 5.871168 0.979943 0.000000 1.758365 3.649635 3.605713 3.441045 3.600886 3.794733 3.670582 3.410075 3.474620 3.373173 3.052968 3.976158 3.577612 4.420330 4.658756 5.304165 4.346734 3.886323 3.811513 3.221077 2.272483 3.422936 4.502876 4.088936 4.587520 0.985575 1.569546 0.000000 3.997037 6.352625 3.111325 2.791104 3.185625 2.812012 1.843050 1.812325 3.230300 6.519028 6.524639 2.739275 2.981566 4.363751 5.235109 4.688348 6.750680 5.930889 6.723719 4.222635 4.009834 3.992492 6.144372 5.261943 6.248753 4.264578 4.021194 3.907115 0.000000 4.867302 7.150672 3.681557 3.327099 3.693490 3.379075 2.424635 2.376353 3.883927 7.377289 7.422094 3.206142 3.588776 4.791705 5.722378 4.942076 7.506174 6.664122 7.553440 4.912106 4.828847 4.615338 6.778054 5.861952 6.879871 5.212266 4.944165 4.869062 0.965370 0.000000 4.284989 6.497434 2.198343 3.233885 3.376023 3.067391 2.218675 2.324196 3.613327 6.643174 6.503539 1.756550 2.117555 4.186477 5.056036 4.494578 6.258088 5.374648 6.290786 3.557337 3.437934 3.478239 6.344878 5.531365 6.308820 3.906902 3.591516 3.778792 0.989144 1.559816 0.000000 4.447131 6.785541 3.157468 5.337700 5.533158 2.718640 2.950267 4.712797 3.152640 6.469298 6.052457 2.814638 1.855175 6.198872 6.742875 6.810796 6.241582 5.498461 5.914122 4.157141 3.523576 4.746044 7.465340 6.906275 7.438758 2.776727 1.811329 3.138211 3.813846 4.566776 3.306900 0.000000 4.154119 6.779897 3.567820 5.028091 5.386970 1.741616 2.111336 4.345764 2.235181 6.471988 6.197393 3.105165 2.259570 6.316842 6.921361 6.924434 6.804531 6.067759 6.452901 4.648196 3.986460 5.075217 7.418086 6.781030 7.507605 3.143240 2.270630 3.201198 3.339117 4.065791 3.062605 0.989667 0.000000 5.236590 7.540523 3.928112 6.291855 6.494756 3.231882 3.652033 5.663228 3.677359 7.143587 6.682837 3.535722 2.559402 7.117504 7.636029 7.722000 6.868509 6.160949 6.504750 4.928391 4.312916 5.597564 8.330856 7.807228 8.300476 3.472185 2.496561 3.909082 4.680977 5.372349 4.171163 0.964679 1.568657 0.000000 5.273859 3.627190 5.635762 4.629155 3.835542 8.333289 7.750394 5.299548 8.137482 4.382390 4.151081 6.535782 6.883776 2.742285 1.781087 3.278781 2.715602 2.972421 3.123653 3.957597 4.176839 3.379232 2.770125 3.129911 1.791244 5.193762 6.061289 5.132963 6.709700 7.309804 6.519970 7.600947 7.871506 8.422616 0.000000 5.219324 3.723783 5.251971 4.915028 4.139507 8.142783 7.628666 5.473020 7.978486 4.301621 3.856701 6.192396 6.465220 3.030573 2.196449 3.643571 1.736249 2.122012 2.214987 3.448629 3.648527 3.094334 3.326104 3.657407 2.407959 4.669896 5.535870 4.774323 6.712352 7.381093 6.406921 7.112957 7.488467 7.875814 0.990040 0.000000 6.218633 4.375539 6.406435 5.474661 4.652102 9.279005 8.676668 6.156084 9.096037 5.149405 4.927584 7.323230 7.719296 3.403672 2.425706 3.734069 3.214468 3.592140 3.733025 4.715045 5.030768 4.148916 3.422109 3.879756 2.465837 6.109923 6.973110 6.086133 7.566355 8.117206 7.361135 8.501955 8.801027 9.310879 0.964780 1.571193 0.000000 2.718121 5.440023 6.055279 4.569914 5.357611 2.778752 3.164916 4.363913 1.798183 5.013071 5.270767 5.908537 5.379105 6.906788 7.319204 7.673515 7.740707 7.309383 7.147952 6.384745 5.533892 6.402123 6.295500 5.702029 6.842193 4.226621 4.086377 3.457184 4.445827 5.160487 4.924384 4.357439 3.633961 4.853967 7.972345 7.871645 8.923581 0.000000 1.740669 4.486751 5.560316 3.801023 4.540994 3.077399 3.220284 3.734028 2.186395 4.115356 4.391033 5.556815 5.112017 6.057166 6.411202 6.860967 6.882291 6.487484 6.301829 5.668367 4.821265 5.623943 5.324651 4.749168 5.860434 3.592670 3.650728 2.715582 4.146011 4.939110 4.590985 4.287658 3.696281 4.916701 7.007652 6.929006 7.955001 0.984873 0.000000 3.177537 5.759256 6.706839 4.711043 5.590289 3.262148 3.548869 4.552461 2.320519 5.408565 5.809770 6.533682 6.087231 7.258236 7.686561 7.982146 8.415269 7.996183 7.848952 7.053949 6.251094 6.964901 6.474644 5.845320 7.116384 5.064422 4.973299 4.228073 4.723062 5.318993 5.352815 5.200847 4.409948 5.715210 8.382123 8.383703 9.315101 0.964877 1.550069 0.000000 3.920852 3.235090 5.345118 5.516515 5.279362 6.736685 6.664526 5.845379 6.378817 2.831460 1.860502 6.059070 5.752142 5.263134 4.929683 6.171477 2.806175 3.070184 1.840680 3.984617 3.320453 4.309454 4.505306 4.724794 4.272517 2.742425 3.604462 3.011412 6.676723 7.602842 6.383323 5.385576 5.817103 5.889849 4.337492 3.649398 5.071241 5.962190 5.181441 6.700856 0.000000 3.416794 3.531217 4.574809 5.059740 4.893261 5.829432 5.782858 5.246737 5.528887 3.114266 2.253651 5.215308 4.838003 5.032171 4.882102 5.940258 3.054036 3.000897 2.213201 3.448297 2.645324 3.875105 4.719844 4.739148 4.537860 1.792651 2.624583 2.193285 5.888683 6.828875 5.562847 4.403873 4.844550 4.922668 4.647849 3.979749 5.469547 5.286397 4.554772 6.083543 0.982299 0.000000 0.983228 2.068739 5.366129 3.245058 3.587855 4.938256 4.769818 3.710247 4.286915 1.805924 2.159132 5.780861 5.540821 4.702664 4.717214 5.627587 5.005414 4.857258 4.396166 4.664099 3.881019 4.483295 3.159321 2.866611 3.647577 3.007251 3.691387 2.142462 4.887627 5.751829 5.119418 5.139218 4.960813 5.886723 4.865688 4.814156 5.776166 3.406468 2.444754 3.825392 3.402783 3.127340 0.000000 4.619691 3.961786 6.013730 6.422676 6.223348 7.226616 7.262784 6.712752 6.853719 3.411278 2.464894 6.685552 6.284738 6.205981 5.862170 7.102242 3.425391 3.764131 2.462544 4.736497 4.065651 5.165394 5.363126 5.630259 5.154203 3.304292 4.029800 3.661238 7.437285 8.378668 7.116223 5.720086 6.206545 6.086623 5.175510 4.439881 5.839592 6.381566 5.686742 7.158362 0.965238 1.555461 4.093031 0.000000 0.986370 3.055768 4.459680 1.761811 2.312675 4.114703 3.682651 2.143302 3.637208 3.192703 3.459173 4.772941 4.703658 3.796071 4.106098 4.623382 5.232682 4.831588 4.871398 4.107441 3.475036 3.751022 3.296030 2.579689 3.711932 3.073854 3.564960 2.172236 3.449332 4.254064 3.802723 4.693769 4.388049 5.572930 4.826366 4.900657 5.761299 3.292179 2.366532 3.603461 4.348550 3.870914 1.582848 5.160627 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5212,1.9238,-.4086;2.3815,2.4671,-.3062;-1.1207,-2.763,.4374;-.1906,.1044,-2.4305;.5089,-.5523,-2.2365;-4.2183,.4241,-.2048;-3.7039,-.0956,-.8559;-1.0316,-.3729,-2.2652;-3.8377,1.3287,-.2435;1.9291,2.9385,.4262;1.994,2.3419,1.1983;-2.0843,-2.8661,.2953;-2.4865,-2.2722,.9605;1.7383,-1.8055,-1.7961;2.6348,-1.5081,-1.5236;1.8659,-2.5701,-2.3707;3.1131,-1.2865,1.8037;2.2953,-1.7378,1.5112;2.7872,-.4323,2.1547;.6265,-2.1947,.7378;.2526,-1.3262,1.0138;.9514,-2.0677,-.1781;2.9114,1.5538,-1.7765;2.0701,1.2404,-2.1336;3.3407,.7512,-1.4122;-.5204,.1388,1.6669;-1.4308,-.1481,1.8885;-.6106,.7738,.9186;-2.5827,-1.1969,-1.8187;-2.9932,-1.685,-2.5434;-2.392,-1.8659,-1.1155;-3.1099,-.8255,1.9403;-3.5997,-.3259,1.2402;-3.6799,-.8451,2.7183;4.0176,-.7462,-.6992;3.798,-.9318,.2481;4.9194,-1.0561,-.8453;-3.0378,2.9391,-.2529;-2.1012,2.6524,-.3556;-3.248,3.4178,-1.0639;1.8752,1.1075,2.5853;.9591,.7797,2.4504;.3198,2.3709,-.1649;1.9082,1.4403,3.4908;-.3187,1.3215,-1.1631; 0.3533205 0.2198176 0.2025843 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= 510 RedAO= T EigKep= 1.24D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 518 518 518 518 518 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22918593246 -1147.22918593 1 1.143311823412e+03 -5.611754080297e+03 1.870914537151e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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. PT240.300S Thu Jul 18 19:46:29 2024 -19.13195 -19.13152 -19.13081 -19.12897 -19.12753 -19.12290 -19.12101 -19.11766 -19.11737 -19.11679 -19.11599 -19.11568 -19.11261 -19.11220 -19.11165 -1.03091 -1.02572 -1.02333 -1.01730 -1.01688 -1.01650 -1.01147 -1.00994 -1.00610 -1.00090 -1.00024 -0.99665 -0.99260 -0.98980 -0.98636 -0.54964 -0.54892 -0.54162 -0.53684 -0.53535 -0.53460 -0.53314 -0.53132 -0.52954 -0.52502 -0.52406 -0.52316 -0.52115 -0.52063 -0.51816 -0.44014 -0.43707 -0.42912 -0.42541 -0.42155 -0.40946 -0.40369 -0.40198 -0.40004 -0.39380 -0.38714 -0.38214 -0.37957 -0.37685 -0.36631 -0.33397 -0.33045 -0.32907 -0.32789 -0.32655 -0.32309 -0.32205 -0.32083 -0.31984 -0.31928 -0.31823 -0.31623 -0.31446 -0.31322 -0.31217 -0.00214 0.02424 0.03548 0.04089 0.05614 0.06095 0.06468 0.07933 0.08870 0.09345 0.10001 0.10445 0.10866 0.11111 0.11260 0.12077 0.12512 0.12949 0.13357 0.13877 0.14510 0.14908 0.15371 0.15706 0.16163 0.16829 0.16985 0.17654 0.17855 0.18066 0.18676 0.19105 0.19436 0.19836 0.19992 0.21007 0.21255 0.21627 0.21979 0.22380 0.22502 0.23141 0.23562 0.23759 0.24266 0.24593 0.24967 0.25153 0.25487 0.25732 0.26129 0.26601 0.26718 0.27205 0.27395 0.27624 0.28150 0.28294 0.28721 0.28750 0.29097 0.29352 0.29488 0.29644 0.29819 0.30088 0.30713 0.30846 0.31676 0.32767 0.32940 0.34258 0.35305 0.36308 0.36451 0.40242 0.41005 0.41596 0.43467 0.44270 0.44970 0.45725 0.47218 0.47873 0.48028 0.48304 0.50166 0.50396 0.51508 0.52427 0.52897 0.53248 0.54403 0.54937 0.55325 0.56494 0.56824 0.57476 0.58014 0.58211 0.59653 0.60490 0.60738 0.61685 0.61919 0.62948 0.63481 0.64343 0.65001 0.65492 0.66623 0.66841 0.67785 0.67858 0.68637 0.70100 0.70739 0.71372 0.72464 0.74233 0.93915 0.94496 0.95594 0.95908 0.97219 0.97877 0.98389 0.99058 0.99584 1.00051 1.00781 1.01146 1.01766 1.02888 1.03173 1.03592 1.03629 1.04672 1.05008 1.05975 1.06232 1.06437 1.07126 1.08104 1.08334 1.08486 1.09350 1.09765 1.09971 1.10225 1.10677 1.11400 1.11773 1.12738 1.13363 1.13973 1.14479 1.14692 1.15610 1.16417 1.17298 1.18763 1.18949 1.19910 1.20482 1.24249 1.25233 1.25932 1.26908 1.27646 1.28799 1.29149 1.29623 1.30818 1.31014 1.31320 1.32626 1.33735 1.34064 1.34217 1.35224 1.35753 1.36917 1.37526 1.38017 1.38366 1.39331 1.40082 1.40412 1.41021 1.41326 1.42133 1.43212 1.44746 1.45811 1.46206 1.46461 1.48785 1.49133 1.50026 1.50474 1.52214 1.53641 1.54084 1.55016 1.55436 1.56411 1.56602 1.57133 1.57933 1.58306 1.59132 1.60550 1.61337 1.62716 1.63236 1.65734 1.66150 1.67052 1.68220 1.70034 1.70355 1.71007 1.71465 1.72819 1.73652 1.74278 1.74744 1.75532 1.75676 1.77713 1.78377 1.79755 1.80130 1.81853 1.82751 1.84497 1.84755 1.85864 1.89169 2.03169 2.03299 2.03807 2.04548 2.05343 2.06204 2.09235 2.19557 2.22141 2.23307 2.26639 2.27396 2.29400 2.29581 2.31168 2.32753 2.33248 2.34808 2.35677 2.37707 2.38345 2.38895 2.39884 2.42361 2.43228 2.43796 2.45222 2.47184 2.48403 2.50532 2.54394 2.56925 2.57664 2.58287 2.58954 2.61708 2.67224 2.68762 2.69338 2.70421 2.70925 2.72329 2.73480 2.74039 2.74504 2.74651 2.75460 2.76327 2.77983 2.78500 2.79852 2.80828 2.81553 2.83935 2.84244 2.85312 2.85882 2.88426 2.91471 2.92965 3.07367 3.07700 3.08018 3.08428 3.08613 3.09112 3.09664 3.09888 3.10341 3.10934 3.11394 3.11609 3.12678 3.13751 3.13777 3.13996 3.14265 3.15008 3.15268 3.15665 3.16345 3.16609 3.17033 3.17301 3.18493 3.18938 3.20065 3.20651 3.21367 3.22100 3.29379 3.30282 3.30487 3.30807 3.32289 3.32563 3.32944 3.33217 3.34004 3.34657 3.35349 3.35884 3.37395 3.38276 3.39415 3.68644 3.69833 3.70481 3.71458 3.71703 3.72628 3.72853 3.73362 3.74100 3.74841 3.75226 3.76304 3.78769 3.80506 3.83611 3.91069 3.91278 3.91672 3.92473 3.92843 3.93166 3.93715 3.94373 3.94756 3.95378 3.96108 3.96587 3.97485 3.98792 4.01054 5.00895 5.01535 5.01936 5.02687 5.02937 5.03346 5.04552 5.04877 5.06058 5.06575 5.07093 5.08866 5.13553 5.14623 5.20402 5.36274 5.38305 5.38543 5.40817 5.43060 5.43546 5.44602 5.45555 5.46945 5.47657 5.48996 5.49964 5.51807 5.53684 5.56919 5.64505 5.65229 5.65989 5.66353 5.67406 5.69174 5.70442 5.71655 5.72696 5.73248 5.75154 5.75947 5.76329 5.78345 5.80330 49.88290 49.89445 49.90602 49.91327 49.91739 49.92224 49.93184 49.93240 49.93812 49.94043 49.95421 49.96019 49.96557 49.97120 49.99301 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 43 44 45 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 O H H H H -0.860662 0.398140 0.395255 -0.803327 0.392423 -0.776041 0.365006 0.416758 0.416885 -0.796328 0.395346 -0.759973 0.367973 -0.768722 0.407714 0.347343 -0.765896 0.383102 0.382792 -0.844232 0.406430 0.444776 -0.728959 0.327279 0.416551 -0.834617 0.435036 0.421142 -0.734506 0.332992 0.412628 -0.783577 0.410222 0.355978 -0.783489 0.419687 0.357039 -0.763803 0.426724 0.322309 -0.726835 0.389622 0.427323 0.347279 0.409214 -0.00000 1.9716 -5.0716 -1.4310 5.6264 -105.2521 -126.5956 -85.2115 -13.3614 -3.9379 17.9990 0.4343 -20.9092 20.4749 -13.3614 -3.9379 17.9990 115.5530 -30.1858 58.9404 -12.4740 -72.8623 -29.1407 -46.8373 -12.3947 -61.5409 61.2128 -3900.7505 -2327.4399 -1264.8973 -130.9439 -197.9487 -281.2831 49.7051 21.9941 202.7468 -1079.5918 -725.3661 -478.0827 120.4603 59.5866 49.0667 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF160 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2291859 RMSD=7.803e-09 Dipole=-0.9487872,1.8219159,0.8249034 Quadrupole=4.9743038,-1.695063,-3.2792408,-16.0955986,-0.7715421,-15.6276641 PG=C01 [X(H30O15)] 0 0.3327670343 -1.3680967312 -1.4749052662 0 -2.2892885876 -2.4805946667 -0.6883476106 0 1.1855349889 2.405996401 1.3659352024 0 -0.7826543465 1.0681912351 -2.0471709914 0 -1.3529899981 1.4011822076 -1.3246147618 0 3.798964956 0.5907386278 -1.8026838218 0 3.0654883497 1.2343700257 -1.8827617365 0 0.0518851698 1.5762293567 -1.9584474264 0 3.4403019532 -0.2497591102 -2.1627250203 0 -1.5810001777 -3.132968796 -0.4983742694 0 -1.3395356923 -2.9887805688 0.4382394569 0 2.0137513796 2.7586839341 0.9798763529 0 2.650190078 2.0214004017 1.0715025839 0 -2.3168203911 2.0256397504 0.0742670569 0 -3.0305449216 1.4589591915 0.4427351172 0 -2.6663902366 2.9246947164 0.0482366137 0 -2.1532603377 -0.3693700481 3.1327750562 0 -1.5208027548 0.3231853971 2.8528330217 0 -1.7092767654 -1.2015023628 2.8690322242 0 -0.2967543777 1.4178578451 1.9067772973 0 0.1617965411 0.61796253 1.5600123058 0 -0.9563142769 1.665126646 1.2253054648 0 -3.36346239 -1.1217208015 -1.2139943254 0 -2.7339868452 -0.5133684218 -1.622957732 0 -3.6193151579 -0.686230004 -0.3737870821 0 1.1400774768 -0.7888019805 1.0758969427 0 2.0619512074 -0.4567600677 1.0894881854 0 0.9314863159 -0.9718083604 0.1301923374 0 1.6475246137 2.3991335266 -1.7108914551 0 1.7347683564 3.2396273577 -2.1776876859 0 1.7456759021 2.6117453095 -0.7498672313 0 3.6200630687 0.4485877185 0.9063366796 0 3.7966846905 0.4421414174 -0.0674205097 0 4.4510018648 0.2228372398 1.3412878986 0 -3.9695942884 0.1363533082 1.1783777364 0 -3.3947503478 -0.0966028089 1.9500411493 0 -4.8578722218 0.2859296335 1.5239048165 0 2.7128893356 -1.7987495649 -2.7149597846 0 1.8100115222 -1.6964008345 -2.3350753703 0 2.5887819108 -1.7932598192 -3.6718062205 0 -0.6907787176 -2.5412978882 2.1235709922 0 0.0951332284 -2.0079319597 1.8730228857 0 -0.3403480211 -2.039322718 -1.2236891613 0 -0.3608882711 -3.2538381575 2.684946793 0 -0.1556159118 -0.541354699 -1.7005259361 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7988,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF160/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 15-agua/ CONF160 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 43 44 45 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 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 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 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 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 525 A 510 A 510 780 525 75 75 1450.3331004514 45 45 45 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) -0.0489789308 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.954911 0.000000 4.800142 6.338237 0.000000 2.739918 4.087815 4.160864 0.000000 3.245500 4.043474 3.833121 0.978904 0.000000 3.994872 6.909534 4.490582 4.612913 5.237176 0.000000 3.795648 6.625800 3.932043 3.855236 4.456715 0.979113 0.000000 2.996959 4.853047 3.609044 0.981036 1.551148 3.877636 3.033875 0.000000 3.373507 6.322865 4.958675 4.425348 5.138451 0.982194 1.556118 3.854521 0.000000 2.780448 0.981506 6.466027 4.548172 4.614454 6.671675 6.525338 5.193715 6.024652 0.000000 3.013857 1.558680 6.028285 4.790240 4.730709 6.651232 6.528881 5.340363 6.092134 0.977927 0.000000 5.087434 6.982060 0.979476 4.454286 4.299818 3.953431 3.409455 3.725703 4.578397 7.058260 6.676171 0.000000 4.831494 6.911113 1.542666 4.734887 4.706538 3.409901 3.085380 4.016212 4.030220 6.850913 6.435903 0.978282 0.000000 4.575773 4.570393 3.752275 2.787628 1.809913 6.556273 5.781463 3.153516 6.582251 5.242193 5.121716 4.484566 5.066132 0.000000 4.793898 4.165200 4.418655 3.377180 2.437428 7.241403 6.528399 3.909067 7.181922 4.906391 4.758353 5.236672 5.743034 0.983005 0.000000 5.453711 5.468264 4.103987 3.374285 2.435330 7.118573 6.280158 3.637879 7.228914 6.178361 6.073042 4.774855 5.488993 0.964975 1.560967 0.000000 5.329963 4.367694 4.687423 5.547701 4.862470 7.791633 7.413699 5.879504 7.703542 4.598935 3.844994 5.637702 5.747849 3.888097 3.368788 4.541866 0.000000 5.002547 4.581671 3.724679 5.010982 4.317558 7.074274 6.655087 5.214584 7.077899 4.814480 4.102711 4.683235 4.842959 3.354463 3.062332 3.993242 0.978776 0.000000 4.802863 3.824584 4.863464 5.493559 4.948493 7.441625 7.163198 5.841408 7.262407 3.884127 3.039708 5.754383 5.711669 4.312107 3.835456 5.089053 0.979350 1.536378 0.000000 4.426468 5.089479 1.861749 3.999009 3.399677 5.587409 5.069413 3.884146 5.771255 5.305098 4.760510 2.827613 3.121927 2.794308 3.101406 3.367478 2.853746 1.895158 3.127651 0.000000 3.631031 4.545767 2.069486 3.755857 3.350983 4.953530 4.545776 3.648276 5.035902 4.619933 4.064599 2.889461 2.898341 3.214426 3.485201 3.950332 2.967810 2.142293 2.919743 0.985062 0.000000 4.260670 4.756668 2.270723 3.331005 2.594053 5.738964 5.101032 3.340756 5.871607 5.136441 4.735524 3.174491 3.627321 1.818196 2.226512 2.428243 3.034847 2.183644 3.389152 0.980084 1.568041 0.000000 3.713608 1.810164 6.308265 3.485752 3.227890 7.387790 6.879667 4.415625 6.924711 2.781079 3.211241 6.984629 7.160078 3.558224 3.084720 4.295651 4.574388 4.692785 4.406110 5.058989 4.811347 4.417133 0.000000 3.187077 2.222888 5.728772 2.547349 2.379425 6.628032 6.062673 3.498579 6.203441 3.075122 3.510084 6.326301 6.532575 3.082396 2.871430 3.823315 4.793222 4.712148 4.658490 4.704122 4.449356 4.002320 0.966221 0.000000 4.158889 2.255585 5.972862 3.731602 3.224530 7.661806 7.117043 4.594299 7.295821 3.186970 3.340437 6.740273 6.980460 3.041625 2.369640 3.758317 3.813882 3.979165 3.798635 4.546160 4.442669 3.895837 0.980337 1.540816 0.000000 2.737503 4.211327 3.208259 4.110824 4.095592 4.154400 4.068672 3.998097 4.008774 3.921443 3.375647 3.654748 3.190250 4.568861 4.779897 5.416211 3.905476 3.387374 3.391825 2.761195 1.780558 3.230936 5.063231 4.729488 4.976336 0.000000 3.224395 5.117606 3.006643 4.500654 4.576207 3.532581 3.563885 4.178914 3.538303 4.791085 4.290148 3.217673 2.547082 5.134844 5.479214 5.905561 4.685154 4.068639 4.235986 3.121802 2.233161 3.691988 5.931553 5.510135 5.871168 0.979943 0.000000 1.758365 3.649635 3.605713 3.441045 3.600886 3.794733 3.670582 3.410075 3.474620 3.373173 3.052968 3.976158 3.577612 4.420330 4.658756 5.304165 4.346734 3.886323 3.811513 3.221077 2.272483 3.422936 4.502876 4.088936 4.587520 0.985575 1.569546 0.000000 3.997037 6.352625 3.111325 2.791104 3.185625 2.812012 1.843050 1.812325 3.230300 6.519028 6.524639 2.739275 2.981566 4.363751 5.235109 4.688348 6.750680 5.930889 6.723719 4.222635 4.009834 3.992492 6.144372 5.261943 6.248753 4.264578 4.021194 3.907115 0.000000 4.867302 7.150672 3.681557 3.327099 3.693490 3.379075 2.424635 2.376353 3.883927 7.377289 7.422094 3.206142 3.588776 4.791705 5.722378 4.942076 7.506174 6.664122 7.553440 4.912106 4.828847 4.615338 6.778054 5.861952 6.879871 5.212266 4.944165 4.869062 0.965370 0.000000 4.284989 6.497434 2.198343 3.233885 3.376023 3.067391 2.218675 2.324196 3.613327 6.643174 6.503539 1.756550 2.117555 4.186477 5.056036 4.494578 6.258088 5.374648 6.290786 3.557337 3.437934 3.478239 6.344878 5.531365 6.308820 3.906902 3.591516 3.778792 0.989144 1.559816 0.000000 4.447131 6.785541 3.157468 5.337700 5.533158 2.718640 2.950267 4.712797 3.152640 6.469298 6.052457 2.814638 1.855175 6.198872 6.742875 6.810796 6.241582 5.498461 5.914122 4.157141 3.523576 4.746044 7.465340 6.906275 7.438758 2.776727 1.811329 3.138211 3.813846 4.566776 3.306900 0.000000 4.154119 6.779897 3.567820 5.028091 5.386970 1.741616 2.111336 4.345764 2.235181 6.471988 6.197393 3.105165 2.259570 6.316842 6.921361 6.924434 6.804531 6.067759 6.452901 4.648196 3.986460 5.075217 7.418086 6.781030 7.507605 3.143240 2.270630 3.201198 3.339117 4.065791 3.062605 0.989667 0.000000 5.236590 7.540523 3.928112 6.291855 6.494756 3.231882 3.652033 5.663228 3.677359 7.143587 6.682837 3.535722 2.559402 7.117504 7.636029 7.722000 6.868509 6.160949 6.504750 4.928391 4.312916 5.597564 8.330856 7.807228 8.300476 3.472185 2.496561 3.909082 4.680977 5.372349 4.171163 0.964679 1.568657 0.000000 5.273859 3.627190 5.635762 4.629155 3.835542 8.333289 7.750394 5.299548 8.137482 4.382390 4.151081 6.535782 6.883776 2.742285 1.781087 3.278781 2.715602 2.972421 3.123653 3.957597 4.176839 3.379232 2.770125 3.129911 1.791244 5.193762 6.061289 5.132963 6.709700 7.309804 6.519970 7.600947 7.871506 8.422616 0.000000 5.219324 3.723783 5.251971 4.915028 4.139507 8.142783 7.628666 5.473020 7.978486 4.301621 3.856701 6.192396 6.465220 3.030573 2.196449 3.643571 1.736249 2.122012 2.214987 3.448629 3.648527 3.094334 3.326104 3.657407 2.407959 4.669896 5.535870 4.774323 6.712352 7.381093 6.406921 7.112957 7.488467 7.875814 0.990040 0.000000 6.218633 4.375539 6.406435 5.474661 4.652102 9.279005 8.676668 6.156084 9.096037 5.149405 4.927584 7.323230 7.719296 3.403672 2.425706 3.734069 3.214468 3.592140 3.733025 4.715045 5.030768 4.148916 3.422109 3.879756 2.465837 6.109923 6.973110 6.086133 7.566355 8.117206 7.361135 8.501955 8.801027 9.310879 0.964780 1.571193 0.000000 2.718121 5.440023 6.055279 4.569914 5.357611 2.778752 3.164916 4.363913 1.798183 5.013071 5.270767 5.908537 5.379105 6.906788 7.319204 7.673515 7.740707 7.309383 7.147952 6.384745 5.533892 6.402123 6.295500 5.702029 6.842193 4.226621 4.086377 3.457184 4.445827 5.160487 4.924384 4.357439 3.633961 4.853967 7.972345 7.871645 8.923581 0.000000 1.740669 4.486751 5.560316 3.801023 4.540994 3.077399 3.220284 3.734028 2.186395 4.115356 4.391033 5.556815 5.112017 6.057166 6.411202 6.860967 6.882291 6.487484 6.301829 5.668367 4.821265 5.623943 5.324651 4.749168 5.860434 3.592670 3.650728 2.715582 4.146011 4.939110 4.590985 4.287658 3.696281 4.916701 7.007652 6.929006 7.955001 0.984873 0.000000 3.177537 5.759256 6.706839 4.711043 5.590289 3.262148 3.548869 4.552461 2.320519 5.408565 5.809770 6.533682 6.087231 7.258236 7.686561 7.982146 8.415269 7.996183 7.848952 7.053949 6.251094 6.964901 6.474644 5.845320 7.116384 5.064422 4.973299 4.228073 4.723062 5.318993 5.352815 5.200847 4.409948 5.715210 8.382123 8.383703 9.315101 0.964877 1.550069 0.000000 3.920852 3.235090 5.345118 5.516515 5.279362 6.736685 6.664526 5.845379 6.378817 2.831460 1.860502 6.059070 5.752142 5.263134 4.929683 6.171477 2.806175 3.070184 1.840680 3.984617 3.320453 4.309454 4.505306 4.724794 4.272517 2.742425 3.604462 3.011412 6.676723 7.602842 6.383323 5.385576 5.817103 5.889849 4.337492 3.649398 5.071241 5.962190 5.181441 6.700856 0.000000 3.416794 3.531217 4.574809 5.059740 4.893261 5.829432 5.782858 5.246737 5.528887 3.114266 2.253651 5.215308 4.838003 5.032171 4.882102 5.940258 3.054036 3.000897 2.213201 3.448297 2.645324 3.875105 4.719844 4.739148 4.537860 1.792651 2.624583 2.193285 5.888683 6.828875 5.562847 4.403873 4.844550 4.922668 4.647849 3.979749 5.469547 5.286397 4.554772 6.083543 0.982299 0.000000 0.983228 2.068739 5.366129 3.245058 3.587855 4.938256 4.769818 3.710247 4.286915 1.805924 2.159132 5.780861 5.540821 4.702664 4.717214 5.627587 5.005414 4.857258 4.396166 4.664099 3.881019 4.483295 3.159321 2.866611 3.647577 3.007251 3.691387 2.142462 4.887627 5.751829 5.119418 5.139218 4.960813 5.886723 4.865688 4.814156 5.776166 3.406468 2.444754 3.825392 3.402783 3.127340 0.000000 4.619691 3.961786 6.013730 6.422676 6.223348 7.226616 7.262784 6.712752 6.853719 3.411278 2.464894 6.685552 6.284738 6.205981 5.862170 7.102242 3.425391 3.764131 2.462544 4.736497 4.065651 5.165394 5.363126 5.630259 5.154203 3.304292 4.029800 3.661238 7.437285 8.378668 7.116223 5.720086 6.206545 6.086623 5.175510 4.439881 5.839592 6.381566 5.686742 7.158362 0.965238 1.555461 4.093031 0.000000 0.986370 3.055768 4.459680 1.761811 2.312675 4.114703 3.682651 2.143302 3.637208 3.192703 3.459173 4.772941 4.703658 3.796071 4.106098 4.623382 5.232682 4.831588 4.871398 4.107441 3.475036 3.751022 3.296030 2.579689 3.711932 3.073854 3.564960 2.172236 3.449332 4.254064 3.802723 4.693769 4.388049 5.572930 4.826366 4.900657 5.761299 3.292179 2.366532 3.603461 4.348550 3.870914 1.582848 5.160627 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5212,1.9238,-.4086;2.3815,2.4671,-.3062;-1.1207,-2.763,.4374;-.1906,.1044,-2.4305;.5089,-.5523,-2.2365;-4.2183,.4241,-.2048;-3.7039,-.0956,-.8559;-1.0316,-.3729,-2.2652;-3.8377,1.3287,-.2435;1.9291,2.9385,.4262;1.994,2.3419,1.1983;-2.0843,-2.8661,.2953;-2.4865,-2.2722,.9605;1.7383,-1.8055,-1.7961;2.6348,-1.5081,-1.5236;1.8659,-2.5701,-2.3707;3.1131,-1.2865,1.8037;2.2953,-1.7378,1.5112;2.7872,-.4323,2.1547;.6265,-2.1947,.7378;.2526,-1.3262,1.0138;.9514,-2.0677,-.1781;2.9114,1.5538,-1.7765;2.0701,1.2404,-2.1336;3.3407,.7512,-1.4122;-.5204,.1388,1.6669;-1.4308,-.1481,1.8885;-.6106,.7738,.9186;-2.5827,-1.1969,-1.8187;-2.9932,-1.685,-2.5434;-2.392,-1.8659,-1.1155;-3.1099,-.8255,1.9403;-3.5997,-.3259,1.2402;-3.6799,-.8451,2.7183;4.0176,-.7462,-.6992;3.798,-.9318,.2481;4.9194,-1.0561,-.8453;-3.0378,2.9391,-.2529;-2.1012,2.6524,-.3556;-3.248,3.4178,-1.0639;1.8752,1.1075,2.5853;.9591,.7797,2.4504;.3198,2.3709,-.1649;1.9082,1.4403,3.4908;-.3187,1.3215,-1.1631; 0.3533205 0.2198176 0.2025843 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= 510 RedAO= T EigKep= 1.24D-04 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 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= 518 518 518 518 518 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22918593246 -1147.22918593 1 1.143311823412e+03 -5.611754080297e+03 1.870914537151e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 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. PT15189.500S Thu Jul 18 20:03:31 2024 -19.13195 -19.13152 -19.13081 -19.12897 -19.12753 -19.12290 -19.12101 -19.11766 -19.11737 -19.11679 -19.11599 -19.11568 -19.11261 -19.11220 -19.11165 -1.03091 -1.02572 -1.02333 -1.01730 -1.01688 -1.01650 -1.01147 -1.00994 -1.00610 -1.00090 -1.00024 -0.99665 -0.99260 -0.98980 -0.98636 -0.54964 -0.54892 -0.54162 -0.53684 -0.53535 -0.53460 -0.53314 -0.53132 -0.52954 -0.52502 -0.52406 -0.52316 -0.52115 -0.52063 -0.51816 -0.44014 -0.43707 -0.42912 -0.42541 -0.42155 -0.40946 -0.40369 -0.40198 -0.40004 -0.39380 -0.38714 -0.38214 -0.37957 -0.37685 -0.36631 -0.33397 -0.33045 -0.32907 -0.32789 -0.32655 -0.32309 -0.32205 -0.32083 -0.31984 -0.31928 -0.31823 -0.31623 -0.31446 -0.31322 -0.31217 -0.00214 0.02424 0.03548 0.04089 0.05614 0.06095 0.06468 0.07933 0.08870 0.09345 0.10001 0.10445 0.10866 0.11111 0.11260 0.12077 0.12512 0.12949 0.13357 0.13877 0.14510 0.14908 0.15371 0.15706 0.16163 0.16829 0.16985 0.17654 0.17855 0.18066 0.18676 0.19105 0.19436 0.19836 0.19992 0.21007 0.21255 0.21627 0.21979 0.22380 0.22502 0.23141 0.23562 0.23759 0.24266 0.24593 0.24967 0.25153 0.25487 0.25732 0.26129 0.26601 0.26718 0.27205 0.27395 0.27624 0.28150 0.28294 0.28721 0.28750 0.29097 0.29352 0.29488 0.29644 0.29819 0.30088 0.30713 0.30846 0.31676 0.32767 0.32940 0.34258 0.35305 0.36308 0.36451 0.40242 0.41005 0.41596 0.43467 0.44270 0.44970 0.45725 0.47218 0.47873 0.48028 0.48304 0.50166 0.50396 0.51508 0.52427 0.52897 0.53248 0.54403 0.54937 0.55325 0.56494 0.56824 0.57476 0.58014 0.58211 0.59653 0.60490 0.60738 0.61685 0.61919 0.62948 0.63481 0.64343 0.65001 0.65492 0.66623 0.66841 0.67785 0.67858 0.68637 0.70100 0.70739 0.71372 0.72464 0.74233 0.93915 0.94496 0.95594 0.95908 0.97219 0.97877 0.98389 0.99058 0.99584 1.00051 1.00781 1.01146 1.01766 1.02888 1.03173 1.03592 1.03629 1.04672 1.05008 1.05975 1.06232 1.06437 1.07126 1.08104 1.08334 1.08486 1.09350 1.09765 1.09971 1.10225 1.10677 1.11400 1.11773 1.12738 1.13363 1.13973 1.14479 1.14692 1.15610 1.16417 1.17298 1.18763 1.18949 1.19910 1.20482 1.24249 1.25233 1.25932 1.26908 1.27646 1.28799 1.29149 1.29623 1.30818 1.31014 1.31320 1.32626 1.33735 1.34064 1.34217 1.35224 1.35753 1.36917 1.37526 1.38017 1.38366 1.39331 1.40082 1.40412 1.41021 1.41326 1.42133 1.43212 1.44746 1.45811 1.46206 1.46461 1.48785 1.49133 1.50026 1.50474 1.52214 1.53641 1.54084 1.55016 1.55436 1.56411 1.56602 1.57133 1.57933 1.58306 1.59132 1.60550 1.61337 1.62716 1.63236 1.65734 1.66150 1.67052 1.68220 1.70034 1.70355 1.71007 1.71465 1.72819 1.73652 1.74278 1.74744 1.75532 1.75676 1.77713 1.78377 1.79755 1.80130 1.81853 1.82751 1.84497 1.84755 1.85864 1.89169 2.03169 2.03299 2.03807 2.04548 2.05343 2.06204 2.09235 2.19557 2.22141 2.23307 2.26639 2.27396 2.29400 2.29581 2.31168 2.32753 2.33248 2.34808 2.35677 2.37707 2.38345 2.38895 2.39884 2.42361 2.43228 2.43796 2.45222 2.47184 2.48403 2.50532 2.54394 2.56925 2.57664 2.58287 2.58954 2.61708 2.67224 2.68762 2.69338 2.70421 2.70925 2.72329 2.73480 2.74039 2.74504 2.74651 2.75460 2.76327 2.77983 2.78500 2.79852 2.80828 2.81553 2.83935 2.84244 2.85312 2.85882 2.88426 2.91471 2.92965 3.07367 3.07700 3.08018 3.08428 3.08613 3.09112 3.09664 3.09888 3.10341 3.10934 3.11394 3.11609 3.12678 3.13751 3.13777 3.13996 3.14265 3.15008 3.15268 3.15665 3.16345 3.16609 3.17033 3.17301 3.18493 3.18938 3.20065 3.20651 3.21367 3.22100 3.29379 3.30282 3.30487 3.30807 3.32289 3.32563 3.32944 3.33217 3.34004 3.34657 3.35349 3.35884 3.37395 3.38276 3.39415 3.68644 3.69833 3.70481 3.71458 3.71703 3.72628 3.72853 3.73362 3.74100 3.74841 3.75226 3.76304 3.78769 3.80506 3.83611 3.91069 3.91278 3.91672 3.92473 3.92843 3.93166 3.93715 3.94373 3.94756 3.95378 3.96108 3.96587 3.97485 3.98792 4.01054 5.00895 5.01535 5.01936 5.02687 5.02937 5.03346 5.04552 5.04877 5.06058 5.06575 5.07093 5.08866 5.13553 5.14623 5.20402 5.36274 5.38305 5.38543 5.40817 5.43060 5.43546 5.44602 5.45555 5.46945 5.47657 5.48996 5.49964 5.51807 5.53684 5.56919 5.64505 5.65229 5.65989 5.66353 5.67406 5.69174 5.70442 5.71655 5.72696 5.73248 5.75154 5.75947 5.76329 5.78345 5.80330 49.88290 49.89445 49.90602 49.91327 49.91739 49.92224 49.93184 49.93240 49.93812 49.94043 49.95421 49.96019 49.96557 49.97120 49.99301 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 43 44 45 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 O H H H H -0.860662 0.398140 0.395255 -0.803327 0.392423 -0.776041 0.365006 0.416758 0.416885 -0.796328 0.395346 -0.759973 0.367973 -0.768722 0.407714 0.347343 -0.765896 0.383102 0.382792 -0.844232 0.406430 0.444776 -0.728959 0.327279 0.416551 -0.834617 0.435036 0.421142 -0.734506 0.332992 0.412628 -0.783577 0.410222 0.355978 -0.783489 0.419687 0.357039 -0.763803 0.426724 0.322309 -0.726835 0.389622 0.427323 0.347279 0.409214 -0.00000 1.9716 -5.0716 -1.4310 5.6264 -105.2521 -126.5956 -85.2115 -13.3614 -3.9379 17.9990 0.4343 -20.9092 20.4749 -13.3614 -3.9379 17.9990 115.5530 -30.1858 58.9404 -12.4740 -72.8623 -29.1407 -46.8373 -12.3947 -61.5409 61.2128 -3900.7505 -2327.4399 -1264.8973 -130.9439 -197.9487 -281.2831 49.7051 21.9941 202.7468 -1079.5918 -725.3661 -478.0827 120.4603 59.5866 49.0667 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF160water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2291859 RMSD=7.803e-09 Dipole=-0.9487872,1.8219159,0.8249034 Quadrupole=4.9743038,-1.695063,-3.2792408,-16.0955986,-0.7715421,-15.6276641 PG=C01 [X(H30O15)] 0 0.3327670343 -1.3680967312 -1.4749052662 0 -2.2892885876 -2.4805946667 -0.6883476106 0 1.1855349889 2.405996401 1.3659352024 0 -0.7826543465 1.0681912351 -2.0471709914 0 -1.3529899981 1.4011822076 -1.3246147618 0 3.798964956 0.5907386278 -1.8026838218 0 3.0654883497 1.2343700257 -1.8827617365 0 0.0518851698 1.5762293567 -1.9584474264 0 3.4403019532 -0.2497591102 -2.1627250203 0 -1.5810001777 -3.132968796 -0.4983742694 0 -1.3395356923 -2.9887805688 0.4382394569 0 2.0137513796 2.7586839341 0.9798763529 0 2.650190078 2.0214004017 1.0715025839 0 -2.3168203911 2.0256397504 0.0742670569 0 -3.0305449216 1.4589591915 0.4427351172 0 -2.6663902366 2.9246947164 0.0482366137 0 -2.1532603377 -0.3693700481 3.1327750562 0 -1.5208027548 0.3231853971 2.8528330217 0 -1.7092767654 -1.2015023628 2.8690322242 0 -0.2967543777 1.4178578451 1.9067772973 0 0.1617965411 0.61796253 1.5600123058 0 -0.9563142769 1.665126646 1.2253054648 0 -3.36346239 -1.1217208015 -1.2139943254 0 -2.7339868452 -0.5133684218 -1.622957732 0 -3.6193151579 -0.686230004 -0.3737870821 0 1.1400774768 -0.7888019805 1.0758969427 0 2.0619512074 -0.4567600677 1.0894881854 0 0.9314863159 -0.9718083604 0.1301923374 0 1.6475246137 2.3991335266 -1.7108914551 0 1.7347683564 3.2396273577 -2.1776876859 0 1.7456759021 2.6117453095 -0.7498672313 0 3.6200630687 0.4485877185 0.9063366796 0 3.7966846905 0.4421414174 -0.0674205097 0 4.4510018648 0.2228372398 1.3412878986 0 -3.9695942884 0.1363533082 1.1783777364 0 -3.3947503478 -0.0966028089 1.9500411493 0 -4.8578722218 0.2859296335 1.5239048165 0 2.7128893356 -1.7987495649 -2.7149597846 0 1.8100115222 -1.6964008345 -2.3350753703 0 2.5887819108 -1.7932598192 -3.6718062205 0 -0.6907787176 -2.5412978882 2.1235709922 0 0.0951332284 -2.0079319597 1.8730228857 0 -0.3403480211 -2.039322718 -1.2236891613 0 -0.3608882711 -3.2538381575 2.684946793 0 -0.1556159118 -0.541354699 -1.7005259361 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3328,-1.3681,-1.4749;-2.2893,-2.4806,-.6883;1.1855,2.406,1.3659;-.7827,1.0682,-2.0472;-1.353,1.4012,-1.3246;3.799,.5907,-1.8027;3.0655,1.2344,-1.8828;.0519,1.5762,-1.9584;3.4403,-.2498,-2.1627;-1.581,-3.133,-.4984;-1.3395,-2.9888,.4382;2.0138,2.7587,.9799;2.6502,2.0214,1.0715;-2.3168,2.0256,.0743;-3.0305,1.459,.4427;-2.6664,2.9247,.0482;-2.1533,-.3694,3.1328;-1.5208,.3232,2.8528;-1.7093,-1.2015,2.869;-.2968,1.4179,1.9068;.1618,.618,1.56;-.9563,1.6651,1.2253;-3.3635,-1.1217,-1.214;-2.734,-.5134,-1.623;-3.6193,-.6862,-.3738;1.1401,-.7888,1.0759;2.062,-.4568,1.0895;.9315,-.9718,.1302;1.6475,2.3991,-1.7109;1.7348,3.2396,-2.1777;1.7457,2.6117,-.7499;3.6201,.4486,.9063;3.7967,.4421,-.0674;4.451,.2228,1.3413;-3.9696,.1364,1.1784;-3.3948,-.0966,1.95;-4.8579,.2859,1.5239;2.7129,-1.7988,-2.715;1.81,-1.6964,-2.3351;2.5888,-1.7933,-3.6718;-.6908,-2.5413,2.1236;.0951,-2.0079,1.873;-.3403,-2.0393,-1.2237;-.3609,-3.2538,2.6849;-.1556,-.5414,-1.7005; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF160/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 15-agua/ CONF160 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 43 44 45 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 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 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 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 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 945 A 855 A 855 1200 945 75 75 1450.3331004514 45 45 45 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) -0.0489789308 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.954911 0.000000 4.800142 6.338237 0.000000 2.739918 4.087815 4.160864 0.000000 3.245500 4.043474 3.833121 0.978904 0.000000 3.994872 6.909534 4.490582 4.612913 5.237176 0.000000 3.795648 6.625800 3.932043 3.855236 4.456715 0.979113 0.000000 2.996959 4.853047 3.609044 0.981036 1.551148 3.877636 3.033875 0.000000 3.373507 6.322865 4.958675 4.425348 5.138451 0.982194 1.556118 3.854521 0.000000 2.780448 0.981506 6.466027 4.548172 4.614454 6.671675 6.525338 5.193715 6.024652 0.000000 3.013857 1.558680 6.028285 4.790240 4.730709 6.651232 6.528881 5.340363 6.092134 0.977927 0.000000 5.087434 6.982060 0.979476 4.454286 4.299818 3.953431 3.409455 3.725703 4.578397 7.058260 6.676171 0.000000 4.831494 6.911113 1.542666 4.734887 4.706538 3.409901 3.085380 4.016212 4.030220 6.850913 6.435903 0.978282 0.000000 4.575773 4.570393 3.752275 2.787628 1.809913 6.556273 5.781463 3.153516 6.582251 5.242193 5.121716 4.484566 5.066132 0.000000 4.793898 4.165200 4.418655 3.377180 2.437428 7.241403 6.528399 3.909067 7.181922 4.906391 4.758353 5.236672 5.743034 0.983005 0.000000 5.453711 5.468264 4.103987 3.374285 2.435330 7.118573 6.280158 3.637879 7.228914 6.178361 6.073042 4.774855 5.488993 0.964975 1.560967 0.000000 5.329963 4.367694 4.687423 5.547701 4.862470 7.791633 7.413699 5.879504 7.703542 4.598935 3.844994 5.637702 5.747849 3.888097 3.368788 4.541866 0.000000 5.002547 4.581671 3.724679 5.010982 4.317558 7.074274 6.655087 5.214584 7.077899 4.814480 4.102711 4.683235 4.842959 3.354463 3.062332 3.993242 0.978776 0.000000 4.802863 3.824584 4.863464 5.493559 4.948493 7.441625 7.163198 5.841408 7.262407 3.884127 3.039708 5.754383 5.711669 4.312107 3.835456 5.089053 0.979350 1.536378 0.000000 4.426468 5.089479 1.861749 3.999009 3.399677 5.587409 5.069413 3.884146 5.771255 5.305098 4.760510 2.827613 3.121927 2.794308 3.101406 3.367478 2.853746 1.895158 3.127651 0.000000 3.631031 4.545767 2.069486 3.755857 3.350983 4.953530 4.545776 3.648276 5.035902 4.619933 4.064599 2.889461 2.898341 3.214426 3.485201 3.950332 2.967810 2.142293 2.919743 0.985062 0.000000 4.260670 4.756668 2.270723 3.331005 2.594053 5.738964 5.101032 3.340756 5.871607 5.136441 4.735524 3.174491 3.627321 1.818196 2.226512 2.428243 3.034847 2.183644 3.389152 0.980084 1.568041 0.000000 3.713608 1.810164 6.308265 3.485752 3.227890 7.387790 6.879667 4.415625 6.924711 2.781079 3.211241 6.984629 7.160078 3.558224 3.084720 4.295651 4.574388 4.692785 4.406110 5.058989 4.811347 4.417133 0.000000 3.187077 2.222888 5.728772 2.547349 2.379425 6.628032 6.062673 3.498579 6.203441 3.075122 3.510084 6.326301 6.532575 3.082396 2.871430 3.823315 4.793222 4.712148 4.658490 4.704122 4.449356 4.002320 0.966221 0.000000 4.158889 2.255585 5.972862 3.731602 3.224530 7.661806 7.117043 4.594299 7.295821 3.186970 3.340437 6.740273 6.980460 3.041625 2.369640 3.758317 3.813882 3.979165 3.798635 4.546160 4.442669 3.895837 0.980337 1.540816 0.000000 2.737503 4.211327 3.208259 4.110824 4.095592 4.154400 4.068672 3.998097 4.008774 3.921443 3.375647 3.654748 3.190250 4.568861 4.779897 5.416211 3.905476 3.387374 3.391825 2.761195 1.780558 3.230936 5.063231 4.729488 4.976336 0.000000 3.224395 5.117606 3.006643 4.500654 4.576207 3.532581 3.563885 4.178914 3.538303 4.791085 4.290148 3.217673 2.547082 5.134844 5.479214 5.905561 4.685154 4.068639 4.235986 3.121802 2.233161 3.691988 5.931553 5.510135 5.871168 0.979943 0.000000 1.758365 3.649635 3.605713 3.441045 3.600886 3.794733 3.670582 3.410075 3.474620 3.373173 3.052968 3.976158 3.577612 4.420330 4.658756 5.304165 4.346734 3.886323 3.811513 3.221077 2.272483 3.422936 4.502876 4.088936 4.587520 0.985575 1.569546 0.000000 3.997037 6.352625 3.111325 2.791104 3.185625 2.812012 1.843050 1.812325 3.230300 6.519028 6.524639 2.739275 2.981566 4.363751 5.235109 4.688348 6.750680 5.930889 6.723719 4.222635 4.009834 3.992492 6.144372 5.261943 6.248753 4.264578 4.021194 3.907115 0.000000 4.867302 7.150672 3.681557 3.327099 3.693490 3.379075 2.424635 2.376353 3.883927 7.377289 7.422094 3.206142 3.588776 4.791705 5.722378 4.942076 7.506174 6.664122 7.553440 4.912106 4.828847 4.615338 6.778054 5.861952 6.879871 5.212266 4.944165 4.869062 0.965370 0.000000 4.284989 6.497434 2.198343 3.233885 3.376023 3.067391 2.218675 2.324196 3.613327 6.643174 6.503539 1.756550 2.117555 4.186477 5.056036 4.494578 6.258088 5.374648 6.290786 3.557337 3.437934 3.478239 6.344878 5.531365 6.308820 3.906902 3.591516 3.778792 0.989144 1.559816 0.000000 4.447131 6.785541 3.157468 5.337700 5.533158 2.718640 2.950267 4.712797 3.152640 6.469298 6.052457 2.814638 1.855175 6.198872 6.742875 6.810796 6.241582 5.498461 5.914122 4.157141 3.523576 4.746044 7.465340 6.906275 7.438758 2.776727 1.811329 3.138211 3.813846 4.566776 3.306900 0.000000 4.154119 6.779897 3.567820 5.028091 5.386970 1.741616 2.111336 4.345764 2.235181 6.471988 6.197393 3.105165 2.259570 6.316842 6.921361 6.924434 6.804531 6.067759 6.452901 4.648196 3.986460 5.075217 7.418086 6.781030 7.507605 3.143240 2.270630 3.201198 3.339117 4.065791 3.062605 0.989667 0.000000 5.236590 7.540523 3.928112 6.291855 6.494756 3.231882 3.652033 5.663228 3.677359 7.143587 6.682837 3.535722 2.559402 7.117504 7.636029 7.722000 6.868509 6.160949 6.504750 4.928391 4.312916 5.597564 8.330856 7.807228 8.300476 3.472185 2.496561 3.909082 4.680977 5.372349 4.171163 0.964679 1.568657 0.000000 5.273859 3.627190 5.635762 4.629155 3.835542 8.333289 7.750394 5.299548 8.137482 4.382390 4.151081 6.535782 6.883776 2.742285 1.781087 3.278781 2.715602 2.972421 3.123653 3.957597 4.176839 3.379232 2.770125 3.129911 1.791244 5.193762 6.061289 5.132963 6.709700 7.309804 6.519970 7.600947 7.871506 8.422616 0.000000 5.219324 3.723783 5.251971 4.915028 4.139507 8.142783 7.628666 5.473020 7.978486 4.301621 3.856701 6.192396 6.465220 3.030573 2.196449 3.643571 1.736249 2.122012 2.214987 3.448629 3.648527 3.094334 3.326104 3.657407 2.407959 4.669896 5.535870 4.774323 6.712352 7.381093 6.406921 7.112957 7.488467 7.875814 0.990040 0.000000 6.218633 4.375539 6.406435 5.474661 4.652102 9.279005 8.676668 6.156084 9.096037 5.149405 4.927584 7.323230 7.719296 3.403672 2.425706 3.734069 3.214468 3.592140 3.733025 4.715045 5.030768 4.148916 3.422109 3.879756 2.465837 6.109923 6.973110 6.086133 7.566355 8.117206 7.361135 8.501955 8.801027 9.310879 0.964780 1.571193 0.000000 2.718121 5.440023 6.055279 4.569914 5.357611 2.778752 3.164916 4.363913 1.798183 5.013071 5.270767 5.908537 5.379105 6.906788 7.319204 7.673515 7.740707 7.309383 7.147952 6.384745 5.533892 6.402123 6.295500 5.702029 6.842193 4.226621 4.086377 3.457184 4.445827 5.160487 4.924384 4.357439 3.633961 4.853967 7.972345 7.871645 8.923581 0.000000 1.740669 4.486751 5.560316 3.801023 4.540994 3.077399 3.220284 3.734028 2.186395 4.115356 4.391033 5.556815 5.112017 6.057166 6.411202 6.860967 6.882291 6.487484 6.301829 5.668367 4.821265 5.623943 5.324651 4.749168 5.860434 3.592670 3.650728 2.715582 4.146011 4.939110 4.590985 4.287658 3.696281 4.916701 7.007652 6.929006 7.955001 0.984873 0.000000 3.177537 5.759256 6.706839 4.711043 5.590289 3.262148 3.548869 4.552461 2.320519 5.408565 5.809770 6.533682 6.087231 7.258236 7.686561 7.982146 8.415269 7.996183 7.848952 7.053949 6.251094 6.964901 6.474644 5.845320 7.116384 5.064422 4.973299 4.228073 4.723062 5.318993 5.352815 5.200847 4.409948 5.715210 8.382123 8.383703 9.315101 0.964877 1.550069 0.000000 3.920852 3.235090 5.345118 5.516515 5.279362 6.736685 6.664526 5.845379 6.378817 2.831460 1.860502 6.059070 5.752142 5.263134 4.929683 6.171477 2.806175 3.070184 1.840680 3.984617 3.320453 4.309454 4.505306 4.724794 4.272517 2.742425 3.604462 3.011412 6.676723 7.602842 6.383323 5.385576 5.817103 5.889849 4.337492 3.649398 5.071241 5.962190 5.181441 6.700856 0.000000 3.416794 3.531217 4.574809 5.059740 4.893261 5.829432 5.782858 5.246737 5.528887 3.114266 2.253651 5.215308 4.838003 5.032171 4.882102 5.940258 3.054036 3.000897 2.213201 3.448297 2.645324 3.875105 4.719844 4.739148 4.537860 1.792651 2.624583 2.193285 5.888683 6.828875 5.562847 4.403873 4.844550 4.922668 4.647849 3.979749 5.469547 5.286397 4.554772 6.083543 0.982299 0.000000 0.983228 2.068739 5.366129 3.245058 3.587855 4.938256 4.769818 3.710247 4.286915 1.805924 2.159132 5.780861 5.540821 4.702664 4.717214 5.627587 5.005414 4.857258 4.396166 4.664099 3.881019 4.483295 3.159321 2.866611 3.647577 3.007251 3.691387 2.142462 4.887627 5.751829 5.119418 5.139218 4.960813 5.886723 4.865688 4.814156 5.776166 3.406468 2.444754 3.825392 3.402783 3.127340 0.000000 4.619691 3.961786 6.013730 6.422676 6.223348 7.226616 7.262784 6.712752 6.853719 3.411278 2.464894 6.685552 6.284738 6.205981 5.862170 7.102242 3.425391 3.764131 2.462544 4.736497 4.065651 5.165394 5.363126 5.630259 5.154203 3.304292 4.029800 3.661238 7.437285 8.378668 7.116223 5.720086 6.206545 6.086623 5.175510 4.439881 5.839592 6.381566 5.686742 7.158362 0.965238 1.555461 4.093031 0.000000 0.986370 3.055768 4.459680 1.761811 2.312675 4.114703 3.682651 2.143302 3.637208 3.192703 3.459173 4.772941 4.703658 3.796071 4.106098 4.623382 5.232682 4.831588 4.871398 4.107441 3.475036 3.751022 3.296030 2.579689 3.711932 3.073854 3.564960 2.172236 3.449332 4.254064 3.802723 4.693769 4.388049 5.572930 4.826366 4.900657 5.761299 3.292179 2.366532 3.603461 4.348550 3.870914 1.582848 5.160627 0.000000 H30O15 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 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;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;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.5212,1.9238,-.4086;2.3815,2.4671,-.3062;-1.1207,-2.763,.4374;-.1906,.1044,-2.4305;.5089,-.5523,-2.2365;-4.2183,.4241,-.2048;-3.7039,-.0956,-.8559;-1.0316,-.3729,-2.2652;-3.8377,1.3287,-.2435;1.9291,2.9385,.4262;1.994,2.3419,1.1983;-2.0843,-2.8661,.2953;-2.4865,-2.2722,.9605;1.7383,-1.8055,-1.7961;2.6348,-1.5081,-1.5236;1.8659,-2.5701,-2.3707;3.1131,-1.2865,1.8037;2.2953,-1.7378,1.5112;2.7872,-.4323,2.1547;.6265,-2.1947,.7378;.2526,-1.3262,1.0138;.9514,-2.0677,-.1781;2.9114,1.5538,-1.7765;2.0701,1.2404,-2.1336;3.3407,.7512,-1.4122;-.5204,.1388,1.6669;-1.4308,-.1481,1.8885;-.6106,.7738,.9186;-2.5827,-1.1969,-1.8187;-2.9932,-1.685,-2.5434;-2.392,-1.8659,-1.1155;-3.1099,-.8255,1.9403;-3.5997,-.3259,1.2402;-3.6799,-.8451,2.7183;4.0176,-.7462,-.6992;3.798,-.9318,.2481;4.9194,-1.0561,-.8453;-3.0378,2.9391,-.2529;-2.1012,2.6524,-.3556;-3.248,3.4178,-1.0639;1.8752,1.1075,2.5853;.9591,.7797,2.4504;.3198,2.3709,-.1649;1.9082,1.4403,3.4908;-.3187,1.3215,-1.1631; 0.3533205 0.2198176 0.2025843 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= 855 RedAO= T EigKep= 6.81D-05 NBF= 855 NBsUse= 855 1.00D-06 EigRej= -1.00D+00 NBFU= 855 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= 911 911 911 911 911 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.24085436498 -1147.26928654534 -0.028432180359 -1147.26940108416 -0.000114538817 -1147.26942248066 -0.000021396498 -1147.26943355330 -0.000011072644 -1147.26943363831 -0.000000085010 -1147.26943365993 -0.000000021619 -1147.26943366044 -0.000000000513 -1147.26943366 8 1.143207572644e+03 -5.612134468621e+03 1.871358928516e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15097683824 LenY= 15096789854 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. PT3751.900S Thu Jul 18 20:07:35 2024 -19.13167 -19.13125 -19.13050 -19.12859 -19.12726 -19.12281 -19.12093 -19.11745 -19.11694 -19.11664 -19.11572 -19.11553 -19.11250 -19.11206 -19.11150 -1.03000 -1.02484 -1.02240 -1.01628 -1.01597 -1.01559 -1.01043 -1.00891 -1.00506 -0.99989 -0.99918 -0.99556 -0.99154 -0.98869 -0.98528 -0.54866 -0.54794 -0.54057 -0.53579 -0.53426 -0.53359 -0.53207 -0.53023 -0.52844 -0.52391 -0.52293 -0.52207 -0.52012 -0.51959 -0.51707 -0.44011 -0.43703 -0.42917 -0.42543 -0.42163 -0.40946 -0.40383 -0.40213 -0.40022 -0.39388 -0.38731 -0.38221 -0.37963 -0.37699 -0.36650 -0.33423 -0.33068 -0.32930 -0.32810 -0.32667 -0.32323 -0.32224 -0.32100 -0.32011 -0.31944 -0.31842 -0.31644 -0.31463 -0.31332 -0.31231 -0.00300 0.02292 0.03387 0.03955 0.05430 0.05952 0.06321 0.07761 0.08734 0.09214 0.09872 0.10306 0.10758 0.10980 0.11151 0.11961 0.12368 0.12852 0.13213 0.13706 0.14349 0.14720 0.15190 0.15511 0.15998 0.16647 0.16769 0.17443 0.17622 0.17849 0.18466 0.18776 0.19176 0.19522 0.19722 0.20674 0.20857 0.21270 0.21609 0.21976 0.22072 0.22690 0.23024 0.23440 0.23957 0.24227 0.24458 0.24833 0.25123 0.25219 0.25790 0.26302 0.26427 0.26791 0.26971 0.27355 0.27734 0.27883 0.28244 0.28430 0.28581 0.28787 0.29072 0.29366 0.29516 0.29679 0.30046 0.30348 0.30871 0.31460 0.31824 0.32788 0.33997 0.35099 0.35489 0.38189 0.38915 0.39733 0.41377 0.42153 0.42595 0.43252 0.45207 0.45412 0.46235 0.46769 0.47529 0.48237 0.48369 0.49237 0.50431 0.50588 0.50661 0.51242 0.51664 0.51994 0.52292 0.52780 0.53699 0.53886 0.54233 0.54495 0.54883 0.55774 0.55963 0.56633 0.56942 0.57565 0.58146 0.59247 0.59908 0.60344 0.61060 0.61580 0.62253 0.63027 0.63129 0.63398 0.64839 0.65233 0.66075 0.66453 0.67249 0.67517 0.68358 0.69283 0.69379 0.70276 0.70650 0.71833 0.71935 0.72746 0.73150 0.73592 0.74875 0.74984 0.75277 0.75744 0.76848 0.77272 0.78964 0.79225 0.80043 0.80530 0.80830 0.81334 0.81745 0.82178 0.83217 0.83708 0.84380 0.85072 0.85650 0.86293 0.86545 0.86603 0.86795 0.87778 0.88220 0.88929 0.89492 0.90093 0.90269 0.90825 0.91400 0.91643 0.92207 0.92743 0.92825 0.93337 0.93973 0.94149 0.94539 0.95207 0.95504 0.95774 0.95949 0.96371 0.97310 0.98149 0.98769 0.99211 0.99374 1.00382 1.00640 1.00791 1.01450 1.01856 1.02436 1.02928 1.03599 1.03822 1.04000 1.04106 1.04739 1.05325 1.05618 1.06008 1.06654 1.07031 1.07105 1.07859 1.08260 1.08603 1.09377 1.09536 1.09774 1.10319 1.10711 1.11372 1.11674 1.11964 1.12851 1.13504 1.13874 1.14051 1.14857 1.15053 1.16065 1.16137 1.16754 1.17574 1.17943 1.18985 1.19161 1.19636 1.20263 1.21046 1.21736 1.22854 1.22995 1.23471 1.24395 1.24534 1.25321 1.26249 1.26855 1.27043 1.27574 1.28286 1.29701 1.30352 1.31042 1.31770 1.31938 1.32241 1.33676 1.34201 1.34576 1.35215 1.35853 1.36066 1.37116 1.38039 1.38637 1.39369 1.40028 1.40729 1.41861 1.42375 1.43212 1.44337 1.44462 1.45406 1.47512 1.47846 1.48163 1.48300 1.49057 1.50367 1.50443 1.51754 1.52544 1.52721 1.53849 1.54229 1.55031 1.55381 1.56119 1.56657 1.57293 1.57945 1.59492 1.59673 1.60159 1.61203 1.62963 1.63122 1.64073 1.65814 1.66250 1.66879 1.67720 1.68927 1.70638 1.72785 1.74947 1.75425 1.76276 1.77089 1.78093 1.79244 1.79811 1.80436 1.81424 1.83878 1.85358 1.85678 1.86645 1.89549 1.91746 1.91994 1.94372 1.96091 1.98220 2.00659 2.02647 2.04389 2.05813 2.07031 2.07850 2.09266 2.12525 2.12922 2.15572 2.17226 2.19070 2.20712 2.21413 2.22434 2.23306 2.24614 2.26051 2.26596 2.28719 2.29031 2.31087 2.32206 2.32403 2.34383 2.35977 2.36712 2.37552 2.39139 2.39821 2.72305 2.73265 2.74236 2.74707 2.75338 2.75977 2.76313 2.76723 2.78248 2.79617 2.79931 2.81366 2.82171 2.83447 2.84370 2.84681 2.85937 2.87486 2.88590 2.89097 2.91923 2.92690 2.94530 2.95405 2.97502 2.99771 3.00188 3.01734 3.05709 3.10963 3.11829 3.13499 3.14489 3.15390 3.16768 3.17275 3.18670 3.19538 3.19928 3.21667 3.22538 3.23663 3.23856 3.24895 3.25230 3.25372 3.25939 3.26714 3.28134 3.29650 3.30369 3.31334 3.32442 3.32543 3.32826 3.33949 3.34405 3.35574 3.36879 3.37352 3.38436 3.39114 3.39645 3.40113 3.40461 3.41360 3.41972 3.42762 3.43581 3.44029 3.44626 3.45011 3.45766 3.46017 3.46799 3.47225 3.47734 3.47768 3.48586 3.49276 3.49935 3.50863 3.51007 3.51838 3.52488 3.53114 3.53812 3.54100 3.55069 3.55894 3.56016 3.56151 3.57951 3.58541 3.58792 3.59582 3.61036 3.61656 3.62291 3.63202 3.64517 3.65210 3.65678 3.68509 3.79378 3.80505 3.81161 3.82544 3.84027 3.84792 3.85661 3.87627 3.88528 3.90869 3.94002 3.97429 3.98646 3.98831 4.01074 4.01891 4.02828 4.03206 4.04606 4.05684 4.06880 4.08398 4.09122 4.12268 4.12863 4.13824 4.14564 4.15594 4.16765 4.17049 4.18033 4.18403 4.19049 4.19940 4.21027 4.21973 4.22262 4.22879 4.23921 4.24167 4.24723 4.26251 4.27858 4.28648 4.30568 4.30902 4.31755 4.33725 4.35534 4.36495 4.36751 4.37747 4.37996 4.38832 4.39553 4.41199 4.42192 4.43443 4.46620 4.48072 4.49946 4.64292 4.64485 4.64869 4.65865 4.66282 4.66373 4.69501 4.73723 4.74107 4.75228 4.75244 4.76842 4.78498 4.79892 4.81639 4.84427 4.85989 4.86822 4.87013 4.87418 4.89065 4.89364 4.90183 4.90806 4.91334 4.92793 4.93568 4.94303 4.95945 4.96946 5.02029 5.04120 5.04424 5.04987 5.05588 5.05976 5.07047 5.07608 5.14725 5.15438 5.15852 5.16344 5.17625 5.19096 5.19318 5.19860 5.20478 5.22366 5.22595 5.23142 5.24183 5.24724 5.25032 5.25760 5.26112 5.26489 5.27490 5.27980 5.28356 5.29152 5.29916 5.30692 5.30977 5.32001 5.32523 5.33058 5.33350 5.34555 5.34850 5.35441 5.35764 5.36619 5.37269 5.37586 5.38354 5.38573 5.39035 5.39924 5.40264 5.40694 5.41140 5.41793 5.41985 5.42912 5.43443 5.43901 5.44410 5.44959 5.45246 5.45938 5.46560 5.46975 5.47441 5.48665 5.48900 5.50377 5.51368 5.52387 5.54546 5.55528 5.56161 5.56352 5.57288 5.57334 5.58176 5.58244 5.58769 5.59263 5.59415 5.60085 5.60163 5.60915 5.61326 5.61511 5.62040 5.62718 5.63202 5.64092 5.64921 5.65486 5.66964 5.67625 5.69640 5.70054 5.70835 5.71492 5.72598 5.73218 5.73937 5.74802 5.75829 5.76711 5.78221 5.78951 5.79456 5.81419 5.81866 5.84595 5.88273 5.88570 5.90823 5.92288 5.92500 5.93659 5.93706 5.95827 5.96342 5.97632 5.99456 5.99679 6.94039 6.94860 6.95205 6.96029 6.97152 6.97467 6.98513 6.98947 6.99496 7.00312 7.00808 7.01277 7.01599 7.02187 7.02481 7.03570 7.03944 7.04730 7.05645 7.06621 7.07570 7.08069 7.09510 7.10127 7.10766 7.12938 7.14838 7.16061 7.17146 7.21460 14.37026 14.37383 14.37459 14.38092 14.38207 14.38346 14.38652 14.38775 14.38947 14.39411 14.39589 14.39781 14.40021 14.40073 14.40289 14.40644 14.41093 14.41121 14.42166 14.42360 14.42556 14.42901 14.43155 14.43763 14.44423 14.44687 14.44795 14.45484 14.45681 14.46225 14.46713 14.46984 14.47391 14.47862 14.48372 14.48711 14.49972 14.50155 14.50396 14.50850 14.52119 14.53426 14.53808 14.55398 14.58811 14.67375 14.67773 14.67899 14.68052 14.68835 14.69023 14.69129 14.69574 14.69856 14.70527 14.71075 14.72128 14.72854 14.73129 14.82631 15.05418 15.05635 15.05755 15.06293 15.06349 15.06565 15.06932 15.07508 15.07654 15.07906 15.08254 15.08353 15.08668 15.09823 15.09969 50.01605 50.02050 50.02242 50.03062 50.04343 50.04409 50.05584 50.06255 50.07904 50.08126 50.08775 50.09975 50.10087 50.10587 50.16629 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 43 44 45 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 O H H H H -0.929312 0.455426 0.424268 -0.927121 0.449910 -0.877978 0.427892 0.469320 0.457571 -0.910623 0.433565 -0.822885 0.382685 -0.769827 0.450439 0.302534 -0.828700 0.404649 0.415858 -1.010910 0.541702 0.497960 -0.778185 0.329902 0.457758 -0.916520 0.430572 0.496488 -0.775050 0.301869 0.485406 -0.764606 0.464659 0.319487 -0.787726 0.481367 0.304693 -0.825091 0.503570 0.298462 -0.739548 0.434965 0.467505 0.304989 0.468613 -0.00000 1.9592 -4.9121 -1.3403 5.4556 -103.2669 -124.3935 -84.6490 -12.8962 -3.9400 17.5172 0.8362 -20.2904 19.4541 -12.8962 -3.9400 17.5172 112.5279 -29.0879 57.8555 -11.7796 -70.6582 -27.5010 -45.1700 -11.8019 -59.7810 58.7831 -3843.7132 -2290.4844 -1259.2768 -132.3003 -196.2596 -269.6026 49.9870 23.1291 197.4383 -1062.9035 -718.8876 -475.2095 116.4633 57.3468 50.0074 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA LAMSABHI 18-Jul-2024 0 Single Point 15-agua/ CONF160 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2694337 RMSD=6.913e-09 Dipole=-0.9297585,1.7522953,0.8197931 Quadrupole=5.1026869,-1.6660801,-3.4366068,-15.5069418,-0.8717161,-15.071946 PG=C01 [X(H30O15)] 0 0.3327670343 -1.3680967312 -1.4749052662 0 -2.2892885876 -2.4805946667 -0.6883476106 0 1.1855349889 2.405996401 1.3659352024 0 -0.7826543465 1.0681912351 -2.0471709914 0 -1.3529899981 1.4011822076 -1.3246147618 0 3.798964956 0.5907386278 -1.8026838218 0 3.0654883497 1.2343700257 -1.8827617365 0 0.0518851698 1.5762293567 -1.9584474264 0 3.4403019532 -0.2497591102 -2.1627250203 0 -1.5810001777 -3.132968796 -0.4983742694 0 -1.3395356923 -2.9887805688 0.4382394569 0 2.0137513796 2.7586839341 0.9798763529 0 2.650190078 2.0214004017 1.0715025839 0 -2.3168203911 2.0256397504 0.0742670569 0 -3.0305449216 1.4589591915 0.4427351172 0 -2.6663902366 2.9246947164 0.0482366137 0 -2.1532603377 -0.3693700481 3.1327750562 0 -1.5208027548 0.3231853971 2.8528330217 0 -1.7092767654 -1.2015023628 2.8690322242 0 -0.2967543777 1.4178578451 1.9067772973 0 0.1617965411 0.61796253 1.5600123058 0 -0.9563142769 1.665126646 1.2253054648 0 -3.36346239 -1.1217208015 -1.2139943254 0 -2.7339868452 -0.5133684218 -1.622957732 0 -3.6193151579 -0.686230004 -0.3737870821 0 1.1400774768 -0.7888019805 1.0758969427 0 2.0619512074 -0.4567600677 1.0894881854 0 0.9314863159 -0.9718083604 0.1301923374 0 1.6475246137 2.3991335266 -1.7108914551 0 1.7347683564 3.2396273577 -2.1776876859 0 1.7456759021 2.6117453095 -0.7498672313 0 3.6200630687 0.4485877185 0.9063366796 0 3.7966846905 0.4421414174 -0.0674205097 0 4.4510018648 0.2228372398 1.3412878986 0 -3.9695942884 0.1363533082 1.1783777364 0 -3.3947503478 -0.0966028089 1.9500411493 0 -4.8578722218 0.2859296335 1.5239048165 0 2.7128893356 -1.7987495649 -2.7149597846 0 1.8100115222 -1.6964008345 -2.3350753703 0 2.5887819108 -1.7932598192 -3.6718062205 0 -0.6907787176 -2.5412978882 2.1235709922 0 0.0951332284 -2.0079319597 1.8730228857 0 -0.3403480211 -2.039322718 -1.2236891613 0 -0.3608882711 -3.2538381575 2.684946793 0 -0.1556159118 -0.541354699 -1.7005259361