Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OH3O CONF51 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 75 75 516 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(H31O15)] C1[X(H31O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 239.99100000000004 1 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3716,-.998,1.015;-1.2189,2.8124,-.717;-2.0033,-.8835,.4594;2.6835,-2.2908,-1.3389;3.4714,-2.8395,-1.2732;3.2419,.3259,-.3015;3.8151,.9123,-.8052;2.9281,-1.4463,-.9234;3.0924,.7757,.5628;-.3401,3.0549,-1.0813;-.5013,3.3796,-1.9731;-2.8422,-.6973,-.0259;-2.8606,.2797,-.0724;2.5829,1.6017,1.9875;2.0584,2.403,1.7375;-2.1011,-4.5273,-.773;-2.27,-1.8795,-2.1724;-2.5289,-1.3448,-1.319;-1.4171,-1.4486,-2.5745;.3234,.406,3.2456;1.1703,.7887,2.9546;.0853,-.2015,2.5138;-1.474,-4.169,-1.4111;-.6715,-3.9453,-.8831;-1.9936,-2.8216,-1.867;-1.2492,2.4581,2.5341;-.7217,1.683,2.8566;-1.7114,2.8049,3.3035;.6505,-3.3509,.0401;1.0173,-3.9736,.6766;1.4225,-2.9985,-.4707;-.1565,-.8635,-3.0983;.1845,-.3044,-2.3488;.4743,-1.5902,-3.162;-2.5707,2.0931,.1759;-3.3625,2.6411,.1777;-2.1857,2.1892,1.0765;.9972,3.7054,1.4019;.2096,3.4064,1.895;.7203,3.6176,.4769;.624,.5353,-1.0142;.3395,1.4767,-1.0633;-.0089,-1.8784,.7786;1.5926,.5318,-.8517;-.0029,-.393,.332;3.3089,1.927,2.5297; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521581/Gau-2101309.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521581/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/water/CONF51/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 14H2OH3O CONF51 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 46 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 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 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 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 -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 4 4 4 6 6 6 6 9 10 10 12 12 13 14 14 14 15 16 17 17 17 19 20 20 20 23 23 24 26 26 26 26 29 29 29 32 32 33 35 35 38 38 41 41 41 3 22 43 45 10 35 12 5 8 31 7 8 9 44 14 11 42 13 18 35 15 21 46 38 23 18 19 25 32 21 22 27 24 25 29 27 28 37 39 30 31 43 33 34 41 36 37 39 40 42 44 45 1.7275 1.7578 0.9811 0.9841 0.9818 1.7725 0.9868 0.9623 0.9725 1.6866 0.9624 1.9042 0.9858 1.7508 1.7238 0.9626 1.7184 0.9782 1.4797 1.8531 0.9898 1.8952 0.9627 1.7132 0.9637 1.0398 1.0367 1.0282 1.4853 0.9738 0.9805 1.6954 0.9864 1.5144 1.7185 0.9915 0.9622 1.7532 1.8536 0.963 0.9906 1.7743 0.9952 0.9644 1.6369 0.963 0.9842 0.9762 0.9695 0.9847 0.9822 1.7512 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 22 22 43 5 5 8 7 7 7 8 8 9 2 2 11 3 3 13 9 9 9 15 15 21 18 18 19 21 21 22 16 16 24 27 27 27 28 28 37 24 24 24 30 30 31 19 19 33 2 2 2 13 13 36 15 15 39 26 33 33 33 42 42 44 1 1 1 1 1 1 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 41 41 41 22 43 45 43 45 45 8 31 31 8 9 44 9 44 44 11 42 42 13 18 18 15 21 46 21 46 46 19 25 25 22 27 27 24 25 25 28 37 39 37 39 39 30 31 43 31 43 43 33 34 34 13 36 37 36 37 37 39 40 40 38 42 44 45 44 45 45 119.3216 109.3457 95.16 121.0583 102.4643 104.2403 105.074 109.7385 109.4256 119.623 105.7354 108.96 133.3203 81.4639 94.534 106.0901 97.0779 112.6876 103.1731 99.6266 113.5442 109.6199 115.881 113.8588 94.6601 105.5594 114.8119 108.0248 107.1216 105.9515 103.3905 99.8722 98.3782 105.0298 107.866 103.7967 106.0979 115.7653 95.3545 117.6122 117.9912 102.2509 115.1178 116.4608 102.9898 105.8992 113.7679 102.0659 104.2715 106.3569 104.4226 116.6728 113.3958 97.0657 115.371 106.2247 105.332 99.6677 107.1538 102.9312 164.9915 111.8506 113.4447 104.9938 107.2516 116.2115 102.9441 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 1 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 1 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 45 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 45 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 41 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 41 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 4 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 4 -1 -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 -2 168.4452 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 169.4409 178.2157 173.6059 170.3229 175.1756 176.969 177.801 166.3177 168.7367 172.7899 177.2554 179.2522 175.9128 180.4359 178.6347 173.1577 175.1404 177.1879 176.0754 171.5208 172.0452 188.2746 186.1378 190.9028 175.1724 174.837 178.2526 176.047 181.6738 178.9349 183.6055 187.5484 180.1072 186.2638 189.9879 180.5088 189.6618 191.1962 174.5022 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 D132 D133 D134 22 22 43 43 45 45 3 3 43 43 45 45 3 3 3 22 22 22 45 45 45 3 3 3 22 22 22 43 43 43 5 5 5 31 31 31 5 5 5 8 8 8 7 7 7 8 8 8 44 44 44 7 7 7 8 8 8 9 9 9 11 11 11 42 42 42 2 2 2 11 11 11 3 3 13 13 3 3 3 18 18 18 9 9 15 15 46 46 9 9 21 21 46 46 18 18 19 19 18 18 25 25 21 21 21 22 22 22 16 16 16 25 25 25 27 27 27 28 28 28 39 39 39 27 28 37 19 19 19 34 34 34 15 40 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 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 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 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 26 26 26 26 26 26 32 32 32 32 32 32 38 38 12 12 12 12 12 12 20 20 20 20 20 20 29 29 29 29 29 29 29 29 29 41 41 41 41 41 41 41 41 41 6 6 6 6 6 6 29 29 29 29 29 29 14 14 14 14 14 14 14 14 14 41 41 41 41 41 41 41 41 41 35 35 35 35 35 35 41 41 41 41 41 41 17 17 17 17 35 35 35 35 35 35 20 20 20 20 20 20 38 38 38 38 38 38 23 23 23 23 32 32 32 32 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 39 39 39 41 41 41 41 41 41 39 39 13 18 13 18 13 18 21 27 21 27 21 27 24 30 31 24 30 31 24 30 31 33 42 44 33 42 44 33 42 44 7 9 44 7 9 44 24 30 43 24 30 43 15 21 46 15 21 46 15 21 46 33 42 45 33 42 45 33 42 45 13 36 37 13 36 37 33 44 45 33 44 45 19 25 19 25 2 36 37 2 36 37 22 27 22 27 22 27 39 40 39 40 39 40 16 24 16 24 33 34 33 34 28 37 39 28 37 39 30 31 43 30 31 43 2 13 36 2 13 36 2 13 36 38 38 38 42 44 45 42 44 45 26 26 55.2312 170.0511 -154.9589 -40.1391 -49.6117 65.2082 -135.0761 -34.5724 79.9005 -179.5957 -34.2935 66.2103 2.0884 -124.4298 121.8567 151.9848 25.4666 -88.2469 -95.8981 137.5836 23.8702 -59.305 64.1556 -177.5966 178.5367 -58.0027 60.2451 51.2697 174.7304 -67.0218 71.159 -97.5641 176.9064 -168.0856 23.1913 -62.3382 -111.6927 19.4844 138.4784 133.3241 -95.4988 23.4952 63.9733 167.5091 -54.2763 -122.9374 -19.4015 118.813 -45.5838 57.952 -163.8334 81.5221 -47.6013 -168.7386 -36.563 -165.6863 73.1764 -170.0989 60.7778 -60.3595 90.8568 -49.7645 -159.4279 -23.983 -164.6043 85.7323 84.2225 -148.3574 -33.418 -25.5202 101.8999 -143.1607 -59.5948 52.8989 49.1847 161.6784 66.6664 -152.2182 -37.2309 -36.5556 104.5597 -140.453 -11.8305 -110.8094 100.4878 1.5088 -150.509 110.5121 120.1231 14.0276 1.9416 -104.1539 -114.3188 139.5857 47.3067 -63.5645 161.3348 50.4636 15.2188 124.7482 -98.5065 11.0228 -120.3502 104.2673 0.1877 134.9734 -0.4091 -104.4887 49.6973 176.5798 -74.1878 161.3301 -71.7875 37.4449 -94.4705 24.103 150.4917 135.6964 -105.7301 20.6586 5.829 124.4026 -109.2088 63.3579 174.7781 -54.4894 -95.0011 141.8016 30.7673 154.741 31.5438 -79.4905 -59.0925 51.1556 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 531 A 516 A 788 531 1479.0038795167 46 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= 516 RedAO= T EigKep= 9.42D-05 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Berny optimization. local minimum Step number 29 out of a maximum of 276 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00064 0.00113 0.00225 0.00232 0.00240 0.00259 0.00294 0.00327 0.00336 0.00360 0.00389 0.00420 0.00466 0.00565 0.00641 0.00716 0.00820 0.00870 0.01026 0.01082 0.01203 0.01342 0.01396 0.01690 0.01789 0.01977 0.02204 0.02391 0.02424 0.02496 0.02612 0.02790 0.02986 0.03112 0.03168 0.03224 0.03306 0.03492 0.03527 0.03592 0.03830 0.03846 0.04004 0.04062 0.04102 0.04243 0.04298 0.04386 0.04440 0.04508 0.04656 0.04728 0.04837 0.04922 0.05058 0.05164 0.05206 0.05279 0.05376 0.05574 0.05650 0.05716 0.05766 0.05800 0.05999 0.06148 0.06210 0.06241 0.06440 0.06637 0.06691 0.06769 0.06843 0.06866 0.06953 0.07111 0.07215 0.07302 0.07458 0.07482 0.07627 0.07647 0.07826 0.08102 0.08391 0.08471 0.08721 0.08926 0.09058 0.09148 0.09398 0.09696 0.09847 0.10002 0.10366 0.10713 0.11164 0.11814 0.12024 0.13978 0.21006 0.35868 0.38432 0.40031 0.40405 0.42489 0.42842 0.45575 0.46587 0.46776 0.47243 0.47613 0.48257 0.48593 0.48638 0.49145 0.49404 0.49661 0.50397 0.51250 0.51647 0.52851 0.53127 0.54601 0.54723 0.54836 0.54863 0.54922 0.54964 0.54986 0.54996 0.59535 -7.12979879e-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 D132 D133 D134 3.28969 3.33488 1.85365 1.86301 1.86023 3.36344 1.86678 1.82390 1.84837 3.27673 1.82377 3.48060 1.86451 3.38880 3.30663 1.82345 3.32928 1.85480 2.86840 3.44563 1.87126 3.52515 1.82448 3.29181 1.82528 1.95294 1.94029 1.93083 2.90522 1.84822 1.85864 3.28837 1.86445 2.93991 3.30417 1.87190 1.82371 3.35375 3.49879 1.82406 1.86819 3.39994 1.87543 1.82601 3.19178 1.82487 1.86248 1.84972 1.84640 1.85703 1.85343 3.33203 2.03983 1.95752 1.66891 2.08861 1.80323 1.82631 1.83712 1.93646 1.97102 2.04273 1.85310 1.99149 2.35842 1.36779 1.66292 1.86218 1.76685 2.10329 1.80997 1.73038 2.02620 1.91228 1.96143 2.00534 1.65486 1.85063 2.03808 1.88860 1.86866 1.85062 1.81122 1.76291 1.73734 1.84375 1.93744 1.86152 1.85846 2.04273 1.66632 2.07182 2.12512 1.66709 2.03833 2.06458 1.70699 1.85439 2.06369 1.71722 1.82285 1.89723 1.84022 1.95898 2.00480 1.74039 2.02417 1.85376 1.84677 1.75703 1.92612 1.80119 2.90437 1.92187 2.04688 1.80174 1.87311 2.01474 1.80834 2.95343 2.98605 3.12927 3.00863 2.98226 3.02556 3.07291 3.10557 2.93412 2.97762 3.04104 3.10295 3.10977 3.02916 3.22617 3.07469 3.00763 3.02278 3.09908 3.13126 2.96039 2.99106 3.27143 3.22613 3.29731 3.06387 3.03007 3.12280 3.10675 3.15605 3.15896 3.22082 3.30900 3.11399 3.25836 3.28539 3.14967 3.29825 3.37601 3.09183 0.90039 2.95226 -2.80671 -0.75484 -0.94901 1.10287 -2.29200 -0.50780 1.49091 -3.00807 -0.52004 1.26416 0.07726 -2.15104 2.16176 2.67686 0.44856 -1.52182 -1.65346 2.40142 0.43103 -1.06617 1.02356 3.07694 3.13280 -1.06065 0.99273 0.92616 3.01589 -1.21391 0.98542 -1.91947 2.91221 -3.12727 0.25102 -1.20048 -1.95537 0.42119 2.55983 2.25388 -1.65275 0.48590 1.29372 3.07740 -0.79818 -2.00896 -0.22528 2.18233 -0.72288 1.06080 -2.81478 1.33499 -0.95673 -3.05641 -0.64828 -2.93999 1.24351 -3.01543 0.97604 -1.12365 1.78556 -0.63007 -2.58255 -0.43464 -2.85026 1.48044 1.45313 -2.53740 -0.52644 -0.56517 1.72748 -2.54474 -1.05537 0.90416 0.86122 2.82076 1.17383 -2.70062 -0.67152 -0.64141 1.76732 -2.48676 -0.27558 -2.03221 1.67509 -0.08153 -2.69088 1.83568 2.13139 0.25845 0.14219 -1.73075 -1.92480 2.48544 0.93741 -1.06369 2.93171 0.93061 0.38480 2.33465 -1.60281 0.34704 -2.07716 1.77580 0.09816 2.36777 -0.06245 -1.74009 0.77823 3.05030 -1.43912 2.82520 -1.18592 0.60785 -1.55375 0.44939 2.66231 2.42190 -1.85814 0.35478 0.14618 2.14933 -1.92093 0.96553 2.94189 -1.09237 -1.63267 2.47815 0.50117 2.66298 0.49061 -1.48637 -1.00761 0.98325 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -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 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 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 -0.00000 -0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -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 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -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 0.00001 0.00000 -0.00005 0.00001 -0.00001 0.00002 -0.00005 0.00002 0.00001 -0.00001 0.00000 0.00001 0.00011 0.00002 0.00004 -0.00011 0.00001 0.00003 -0.00000 -0.00004 0.00005 0.00002 -0.00024 0.00001 -0.00001 0.00000 0.00003 -0.00002 -0.00003 0.00007 0.00002 0.00001 0.00014 0.00002 0.00011 -0.00016 -0.00001 0.00001 -0.00007 -0.00004 0.00001 0.00001 -0.00003 0.00002 0.00001 -0.00007 0.00000 0.00001 0.00001 0.00003 0.00000 0.00000 0.00006 0.00008 -0.00016 -0.00001 0.00009 -0.00001 -0.00001 0.00001 -0.00007 0.00007 0.00004 -0.00001 -0.00008 -0.00001 0.00004 -0.00003 0.00003 -0.00002 -0.00014 0.00000 -0.00016 0.00001 -0.00006 0.00008 0.00004 -0.00004 -0.00003 -0.00002 0.00001 -0.00003 0.00003 -0.00001 0.00007 -0.00003 0.00000 0.00008 0.00004 -0.00001 0.00001 -0.00007 0.00004 0.00003 -0.00003 -0.00009 0.00011 0.00012 -0.00004 -0.00006 -0.00002 0.00010 0.00000 0.00000 -0.00008 -0.00006 0.00002 0.00007 0.00006 0.00001 0.00001 0.00015 -0.00002 -0.00004 -0.00001 -0.00008 -0.00001 0.00002 0.00005 0.00003 0.00008 0.00004 -0.00003 -0.00006 0.00005 0.00006 0.00007 -0.00007 -0.00002 0.00000 -0.00020 -0.00005 -0.00002 0.00005 0.00002 -0.00003 -0.00002 -0.00005 -0.00000 0.00004 -0.00004 0.00018 0.00000 -0.00008 0.00008 0.00007 0.00005 -0.00002 0.00008 0.00006 -0.00004 -0.00006 -0.00003 0.00003 0.00008 0.00002 0.00013 -0.00006 0.00007 -0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00002 -0.00001 0.00006 -0.00000 0.00007 -0.00002 0.00005 -0.00016 -0.00012 -0.00002 -0.00011 -0.00008 0.00003 -0.00011 -0.00008 0.00002 -0.00002 -0.00003 0.00005 -0.00009 -0.00010 -0.00002 -0.00020 -0.00021 -0.00013 0.00020 0.00011 0.00012 0.00017 0.00008 0.00009 0.00009 0.00002 -0.00007 0.00009 0.00003 -0.00007 -0.00001 -0.00005 0.00002 0.00003 -0.00001 0.00006 0.00008 0.00004 0.00011 0.00006 0.00009 0.00001 0.00001 0.00004 -0.00004 0.00001 0.00004 -0.00003 -0.00013 -0.00008 -0.00007 0.00000 0.00005 0.00006 0.00001 -0.00004 -0.00001 0.00003 -0.00001 0.00002 0.00006 0.00012 -0.00001 0.00004 -0.00009 -0.00019 -0.00011 0.00008 -0.00002 0.00006 0.00001 0.00003 -0.00006 -0.00004 -0.00014 -0.00012 0.00016 0.00013 0.00009 0.00005 0.00011 0.00008 -0.00009 -0.00013 -0.00007 -0.00012 -0.00013 -0.00010 -0.00010 -0.00006 0.00000 -0.00005 0.00001 0.00000 -0.00005 0.00001 0.00001 0.00004 0.00007 0.00007 0.00010 0.00013 0.00007 -0.00000 0.00013 0.00002 -0.00006 0.00008 -0.00002 -0.00010 0.00004 -0.00008 -0.00013 -0.00008 0.00008 0.00010 0.00011 0.00004 0.00007 0.00008 0.00002 0.00018 0.00004 0.00018 0.00000 0.00001 0.00001 -0.00011 0.00000 0.00000 -0.00000 0.00011 0.00000 0.00013 0.00001 -0.00003 -0.00007 -0.00000 -0.00001 -0.00001 -0.00003 0.00019 0.00000 -0.00015 0.00000 0.00004 0.00000 0.00002 -0.00001 -0.00001 0.00006 0.00002 -0.00001 -0.00004 0.00000 0.00006 -0.00000 0.00001 0.00000 -0.00000 0.00002 0.00000 -0.00001 -0.00006 -0.00001 -0.00000 0.00012 0.00000 0.00000 0.00001 0.00003 0.00001 0.00001 -0.00006 -0.00004 -0.00008 0.00008 0.00006 -0.00000 0.00001 -0.00000 0.00000 0.00006 0.00002 0.00001 0.00001 -0.00006 0.00006 0.00001 0.00003 0.00010 0.00004 -0.00000 -0.00009 -0.00001 -0.00000 -0.00005 0.00004 -0.00005 0.00003 0.00003 0.00004 0.00004 0.00005 -0.00001 0.00008 0.00000 0.00001 -0.00003 -0.00014 -0.00000 0.00001 0.00005 -0.00002 0.00005 -0.00008 0.00001 0.00006 -0.00007 0.00002 0.00003 -0.00007 -0.00003 -0.00006 0.00006 -0.00014 -0.00004 0.00016 0.00007 -0.00002 0.00001 0.00003 0.00006 -0.00004 0.00005 -0.00010 0.00002 -0.00001 0.00001 0.00003 0.00006 0.00006 -0.00001 0.00004 -0.00001 -0.00001 0.00002 0.00012 0.00004 0.00012 -0.00004 0.00020 -0.00005 0.00009 -0.00013 0.00009 -0.00005 -0.00008 0.00001 -0.00004 0.00006 -0.00003 -0.00005 0.00009 -0.00007 -0.00001 -0.00005 -0.00008 0.00021 0.00005 0.00002 -0.00005 0.00008 0.00014 -0.00012 0.00001 0.00002 -0.00002 -0.00017 0.00009 0.00004 -0.00002 -0.00006 -0.00008 -0.00012 -0.00005 -0.00009 0.00005 0.00012 0.00016 0.00024 0.00012 0.00019 0.00025 0.00028 0.00030 0.00008 0.00012 0.00013 0.00013 0.00016 0.00018 -0.00001 -0.00012 -0.00006 0.00002 -0.00009 -0.00003 -0.00006 -0.00017 -0.00011 -0.00013 -0.00002 -0.00010 -0.00005 0.00006 -0.00002 -0.00007 0.00006 0.00008 -0.00015 -0.00002 0.00000 0.00014 0.00006 0.00007 -0.00003 -0.00011 -0.00010 0.00011 0.00003 0.00004 -0.00014 -0.00009 -0.00014 -0.00019 -0.00014 -0.00019 -0.00012 -0.00007 -0.00012 0.00002 0.00011 0.00003 -0.00013 -0.00004 -0.00012 0.00008 0.00006 0.00016 -0.00004 -0.00006 0.00005 0.00004 0.00015 0.00001 0.00012 0.00008 -0.00008 -0.00005 0.00020 0.00004 0.00007 0.00000 -0.00003 -0.00002 -0.00005 -0.00001 -0.00004 -0.00005 -0.00004 0.00003 0.00004 0.00001 0.00003 0.00001 0.00009 0.00006 0.00015 0.00019 0.00025 0.00008 0.00013 -0.00007 -0.00013 -0.00002 -0.00006 -0.00013 -0.00002 -0.00016 -0.00008 -0.00014 -0.00022 -0.00014 -0.00021 0.00010 -0.00001 0.00007 0.00012 0.00001 0.00009 0.00012 0.00001 0.00009 -0.00018 -0.00013 -0.00019 -0.00017 -0.00010 -0.00019 -0.00013 -0.00006 -0.00015 0.00014 0.00020 0.00004 0.00013 0.00001 -0.00001 0.00003 -0.00015 0.00002 0.00001 -0.00001 0.00011 0.00001 0.00024 0.00003 0.00000 -0.00018 0.00000 0.00002 -0.00001 -0.00007 0.00024 0.00002 -0.00039 0.00001 0.00003 0.00001 0.00005 -0.00003 -0.00003 0.00013 0.00003 0.00000 0.00010 0.00002 0.00018 -0.00016 0.00000 0.00001 -0.00007 -0.00002 0.00001 0.00001 -0.00009 0.00001 0.00000 0.00005 0.00001 0.00002 0.00002 0.00006 0.00001 0.00001 -0.00000 0.00004 -0.00024 0.00006 0.00016 -0.00002 0.00001 0.00001 -0.00007 0.00012 0.00006 0.00000 -0.00007 -0.00007 0.00010 -0.00003 0.00006 0.00009 -0.00010 0.00000 -0.00025 -0.00000 -0.00006 0.00002 0.00007 -0.00009 -0.00000 0.00001 0.00005 0.00001 0.00008 -0.00002 0.00015 -0.00003 0.00001 0.00005 -0.00010 -0.00001 0.00002 -0.00002 0.00002 0.00008 -0.00010 -0.00008 0.00018 0.00005 -0.00002 -0.00004 -0.00009 0.00007 -0.00006 0.00006 -0.00022 -0.00010 0.00018 0.00014 0.00004 0.00002 0.00004 0.00021 -0.00006 0.00001 -0.00011 -0.00006 -0.00002 0.00003 0.00008 0.00009 0.00014 0.00004 0.00001 -0.00007 0.00003 0.00008 0.00020 -0.00003 0.00010 -0.00004 -0.00000 -0.00010 0.00007 -0.00008 0.00011 -0.00009 -0.00010 -0.00004 -0.00004 0.00010 -0.00007 0.00013 0.00009 -0.00015 0.00007 0.00002 -0.00002 0.00019 0.00013 0.00008 -0.00010 0.00002 0.00011 -0.00008 0.00010 0.00004 0.00012 -0.00023 0.00016 0.00001 0.00002 -0.00003 -0.00004 -0.00009 -0.00002 -0.00007 0.00003 0.00018 0.00016 0.00031 0.00010 0.00025 0.00009 0.00016 0.00028 -0.00003 0.00004 0.00016 0.00001 0.00008 0.00020 -0.00003 -0.00015 -0.00001 -0.00007 -0.00019 -0.00005 -0.00026 -0.00038 -0.00024 0.00007 0.00009 0.00002 0.00012 0.00013 0.00007 0.00002 0.00008 0.00000 -0.00006 0.00001 -0.00007 0.00013 0.00001 0.00009 0.00000 -0.00012 -0.00004 0.00019 0.00007 0.00015 -0.00008 -0.00000 -0.00013 -0.00018 -0.00010 -0.00023 -0.00011 -0.00003 -0.00015 -0.00011 0.00003 -0.00004 -0.00013 0.00001 -0.00006 0.00009 0.00002 0.00015 -0.00000 -0.00007 0.00006 0.00010 0.00027 -0.00000 0.00016 -0.00001 -0.00027 -0.00016 0.00028 0.00002 0.00013 0.00002 0.00000 -0.00008 -0.00009 -0.00015 -0.00016 0.00011 0.00009 0.00012 0.00009 0.00013 0.00011 -0.00008 -0.00004 -0.00001 0.00003 0.00006 0.00015 -0.00002 0.00007 -0.00006 -0.00017 -0.00001 -0.00006 -0.00017 -0.00001 -0.00015 -0.00003 -0.00007 -0.00015 -0.00004 -0.00008 0.00017 -0.00001 0.00020 0.00013 -0.00005 0.00016 0.00009 -0.00009 0.00013 -0.00027 -0.00026 -0.00027 -0.00009 0.00000 -0.00008 -0.00008 0.00001 -0.00007 0.00016 0.00038 3.28972 3.33501 1.85366 1.86301 1.86027 3.36328 1.86681 1.82391 1.84836 3.27684 1.82378 3.48085 1.86455 3.38880 3.30645 1.82345 3.32930 1.85479 2.86833 3.44587 1.87128 3.52476 1.82449 3.29184 1.82529 1.95298 1.94026 1.93080 2.90535 1.84825 1.85865 3.28847 1.86447 2.94009 3.30401 1.87190 1.82372 3.35368 3.49877 1.82407 1.86819 3.39985 1.87544 1.82601 3.19183 1.82488 1.86250 1.84974 1.84646 1.85704 1.85344 3.33203 2.03987 1.95728 1.66897 2.08876 1.80322 1.82632 1.83713 1.93639 1.97115 2.04279 1.85311 1.99142 2.35834 1.36789 1.66289 1.86224 1.76694 2.10319 1.80997 1.73013 2.02620 1.91222 1.96145 2.00542 1.65476 1.85063 2.03810 1.88865 1.86867 1.85070 1.81120 1.76306 1.73731 1.84376 1.93749 1.86142 1.85845 2.04275 1.66631 2.07184 2.12520 1.66698 2.03825 2.06475 1.70704 1.85438 2.06366 1.71713 1.82292 1.89718 1.84028 1.95875 2.00470 1.74057 2.02431 1.85380 1.84679 1.75707 1.92633 1.80114 2.90438 1.92176 2.04682 1.80172 1.87314 2.01482 1.80843 2.95357 2.98609 3.12928 3.00855 2.98230 3.02564 3.07311 3.10554 2.93422 2.97759 3.04104 3.10286 3.10983 3.02907 3.22628 3.07460 3.00753 3.02274 3.09905 3.13136 2.96032 2.99120 3.27152 3.22597 3.29737 3.06389 3.03004 3.12299 3.10688 3.15614 3.15887 3.22085 3.30911 3.11391 3.25845 3.28543 3.14979 3.29803 3.37618 3.09184 0.90040 2.95223 -2.80675 -0.75493 -0.94903 1.10280 -2.29197 -0.50762 1.49107 -3.00776 -0.51994 1.26441 0.07735 -2.15089 2.16203 2.67683 0.44860 -1.52167 -1.65345 2.40150 0.43123 -1.06620 1.02341 3.07694 3.13273 -1.06084 0.99269 0.92590 3.01552 -1.21414 0.98549 -1.91938 2.91223 -3.12716 0.25116 -1.20042 -1.95535 0.42128 2.55984 2.25382 -1.65274 0.48582 1.29385 3.07742 -0.79809 -2.00896 -0.22540 2.18229 -0.72269 1.06088 -2.81463 1.33490 -0.95673 -3.05654 -0.64846 -2.94009 1.24329 -3.01554 0.97601 -1.12380 1.78545 -0.63004 -2.58259 -0.43477 -2.85025 1.48038 1.45322 -2.53739 -0.52629 -0.56518 1.72740 -2.54468 -1.05527 0.90443 0.86122 2.82092 1.17382 -2.70089 -0.67168 -0.64113 1.76734 -2.48663 -0.27556 -2.03220 1.67501 -0.08163 -2.69103 1.83551 2.13150 0.25854 0.14230 -1.73066 -1.92467 2.48555 0.93733 -1.06374 2.93170 0.93063 0.38486 2.33480 -1.60283 0.34711 -2.07722 1.77563 0.09815 2.36771 -0.06262 -1.74010 0.77808 3.05027 -1.43919 2.82504 -1.18596 0.60777 -1.55358 0.44938 2.66252 2.42203 -1.85820 0.35494 0.14628 2.14924 -1.92081 0.96527 2.94163 -1.09264 -1.63276 2.47815 0.50108 2.66290 0.49062 -1.48644 -1.00745 0.98362 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000005 0.000799 0.000166 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.526904e-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 4 4 4 6 6 6 6 9 10 10 12 12 13 14 14 14 15 16 17 17 17 19 20 20 20 23 23 24 26 26 26 26 29 29 29 32 32 33 35 35 38 38 41 41 41 3 22 43 45 10 35 12 5 8 31 7 8 9 44 14 11 42 13 18 35 15 21 46 38 23 18 19 25 32 21 22 27 24 25 29 27 28 37 39 30 31 43 33 34 41 36 37 39 40 42 44 45 1.7408 1.7647 0.9809 0.9859 0.9844 1.7799 0.9879 0.9652 0.9781 1.734 0.9651 1.8419 0.9867 1.7933 1.7498 0.9649 1.7618 0.9815 1.5179 1.8233 0.9902 1.8654 0.9655 1.742 0.9659 1.0334 1.0268 1.0218 1.5374 0.978 0.9836 1.7401 0.9866 1.5557 1.7485 0.9906 0.9651 1.7747 1.8515 0.9652 0.9886 1.7992 0.9924 0.9663 1.689 0.9657 0.9856 0.9788 0.9771 0.9827 0.9808 1.7632 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 22 22 43 5 5 8 7 7 7 8 8 9 2 2 11 3 3 13 9 9 9 15 15 21 18 18 19 21 21 22 16 16 24 27 27 27 28 28 37 24 24 24 30 30 31 19 19 33 2 2 2 13 13 36 15 15 39 26 33 33 33 42 42 44 1 1 1 1 1 1 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 41 41 41 22 43 45 43 45 45 8 31 31 8 9 44 9 44 44 11 42 42 13 18 18 15 21 46 21 46 46 19 25 25 22 27 27 24 25 25 28 37 39 37 39 39 30 31 43 31 43 43 33 34 34 13 36 37 36 37 37 39 40 40 38 42 44 45 44 45 45 116.8737 112.1577 95.6214 119.6684 103.3177 104.6399 105.2593 110.9509 112.9313 117.0398 106.175 114.1042 135.1273 78.3686 95.2782 106.6948 101.233 120.5096 103.7034 99.1434 116.0926 109.5657 112.3815 114.8976 94.8163 106.0333 116.7736 108.209 107.0664 106.033 103.7755 101.0072 99.542 105.6391 111.0069 106.6571 106.4821 117.0398 95.4733 118.7064 121.7605 95.517 116.7878 118.2916 97.8031 106.249 118.2409 98.3897 104.4414 108.7035 105.4368 112.2411 114.8668 99.7169 115.9766 106.2129 105.8122 100.6705 110.3585 103.2007 166.4081 110.1152 117.2775 103.2323 107.3211 115.4361 103.61 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 1 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 45 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 41 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 4 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 -1 -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 -2 169.2191 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 171.0883 179.2941 172.3816 170.871 173.3516 176.0648 177.9359 168.1128 170.6053 174.2389 177.7862 178.1766 173.5578 184.8458 176.1665 172.3245 173.1927 177.5644 179.408 169.6178 171.3752 187.4391 184.8435 188.9217 175.5469 173.6102 178.9234 178.0038 180.8285 180.9952 184.5395 189.5917 178.4186 186.6902 188.2389 180.463 188.976 193.4314 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 D132 D133 22 22 43 43 45 45 3 3 43 43 45 45 3 3 3 22 22 22 45 45 45 3 3 3 22 22 22 43 43 43 5 5 5 31 31 31 5 5 5 8 8 8 7 7 7 8 8 8 44 44 44 7 7 7 8 8 8 9 9 9 11 11 11 42 42 42 2 2 2 11 11 11 3 3 13 13 3 3 3 18 18 18 9 9 15 15 46 46 9 9 21 21 46 46 18 18 19 19 18 18 25 25 21 21 21 22 22 22 16 16 16 25 25 25 27 27 27 28 28 28 39 39 39 27 28 37 19 19 19 34 34 34 15 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 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 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 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 26 26 26 26 26 26 32 32 32 32 32 32 38 12 12 12 12 12 12 20 20 20 20 20 20 29 29 29 29 29 29 29 29 29 41 41 41 41 41 41 41 41 41 6 6 6 6 6 6 29 29 29 29 29 29 14 14 14 14 14 14 14 14 14 41 41 41 41 41 41 41 41 41 35 35 35 35 35 35 41 41 41 41 41 41 17 17 17 17 35 35 35 35 35 35 20 20 20 20 20 20 38 38 38 38 38 38 23 23 23 23 32 32 32 32 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 39 39 39 41 41 41 41 41 41 39 13 18 13 18 13 18 21 27 21 27 21 27 24 30 31 24 30 31 24 30 31 33 42 44 33 42 44 33 42 44 7 9 44 7 9 44 24 30 43 24 30 43 15 21 46 15 21 46 15 21 46 33 42 45 33 42 45 33 42 45 13 36 37 13 36 37 33 44 45 33 44 45 19 25 19 25 2 36 37 2 36 37 22 27 22 27 22 27 39 40 39 40 39 40 16 24 16 24 33 34 33 34 28 37 39 28 37 39 30 31 43 30 31 43 2 13 36 2 13 36 2 13 36 38 38 38 42 44 45 42 44 45 26 51.5884 169.1522 -160.8127 -43.249 -54.3741 63.1897 -131.3221 -29.0946 85.4229 -172.3497 -29.7963 72.4311 4.4265 -123.2458 123.8595 153.3729 25.7006 -87.1941 -94.7365 137.5912 24.6965 -61.0872 58.6457 176.2959 179.4964 -60.7708 56.8794 53.0652 172.7981 -69.5517 56.4603 -109.9775 166.8573 -179.1796 14.3826 -68.7826 -112.0345 24.1325 146.6677 129.1376 -94.6954 27.8398 74.1245 176.3223 -45.7324 -115.1051 -12.9073 125.038 -41.4181 60.7796 -161.275 76.4891 -54.8166 -175.1196 -37.1434 -168.4491 71.2479 -172.7715 55.9229 -64.3801 102.3049 -36.1002 -147.9691 -24.9028 -163.3079 84.8232 83.2583 -145.3824 -30.1628 -32.382 98.9773 -145.8031 -60.4685 51.8047 49.3445 161.6177 67.2555 -154.7343 -38.4752 -36.7499 101.2603 -142.4806 -15.7896 -116.4368 95.9757 -4.6716 -154.1762 105.1765 122.1197 14.8081 8.1468 -99.1649 -110.283 142.4053 53.7098 -60.9451 167.9748 53.3199 22.0475 133.7655 -91.834 19.8839 -119.0127 101.7459 5.6242 135.6634 -3.5781 -99.6997 44.5893 174.7694 -82.4555 161.8719 -67.948 34.8271 -89.0235 25.7483 152.5394 138.7644 -106.4638 20.3273 8.3757 123.1475 -110.0614 55.3209 168.5576 -62.5883 -93.545 141.9875 28.7147 152.5776 28.11 -85.1628 -57.7321 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0501825447 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3716,-.998,1.015;-1.2189,2.8124,-.717;-2.0033,-.8835,.4594;2.6835,-2.2908,-1.3389;3.4714,-2.8395,-1.2732;3.2419,.3259,-.3015;3.8151,.9123,-.8052;2.9281,-1.4463,-.9234;3.0925,.7757,.5628;-.3401,3.0549,-1.0813;-.5013,3.3795,-1.9731;-2.8422,-.6973,-.0259;-2.8606,.2797,-.0724;2.5829,1.6017,1.9875;2.0584,2.403,1.7375;-2.1011,-4.5273,-.773;-2.27,-1.8795,-2.1724;-2.5289,-1.3448,-1.319;-1.4171,-1.4486,-2.5745;.3234,.406,3.2457;1.1703,.7887,2.9546;.0853,-.2015,2.5138;-1.474,-4.169,-1.4111;-.6715,-3.9453,-.8831;-1.9936,-2.8216,-1.867;-1.2492,2.4581,2.5341;-.7217,1.683,2.8566;-1.7114,2.8049,3.3035;.6505,-3.3509,.0401;1.0173,-3.9736,.6766;1.4225,-2.9985,-.4707;-.1564,-.8635,-3.0983;.1845,-.3044,-2.3488;.4743,-1.5902,-3.162;-2.5707,2.0931,.1759;-3.3625,2.6411,.1777;-2.1857,2.1892,1.0765;.9972,3.7054,1.4019;.2096,3.4064,1.895;.7203,3.6176,.477;.624,.5352,-1.0142;.3395,1.4767,-1.0633;-.0089,-1.8785,.7786;1.5926,.5318,-.8517;-.0029,-.393,.332;3.3089,1.927,2.5297; 0.000000 4.270419 0.000000 1.727489 3.957085 0.000000 4.067664 6.454343 5.213547 0.000000 4.836876 7.365583 6.066323 0.962314 0.000000 4.067365 5.123899 5.436375 2.869682 3.319088 0.000000 4.948818 5.381371 6.219159 3.438773 3.796441 0.962357 0.000000 3.853155 5.947839 5.152509 0.972453 1.535727 1.904159 2.522600 0.000000 3.917950 4.937003 5.360102 3.631440 4.072366 0.985794 1.553216 2.678300 0.000000 4.563044 0.981825 4.544359 6.146968 7.021939 4.570130 4.683157 5.564759 4.436223 0.000000 5.301705 1.553850 5.132894 6.534403 7.412709 5.111788 5.107042 6.012580 5.111327 0.962602 0.000000 2.697657 3.928099 0.986823 5.898885 6.782767 6.175666 6.893248 5.887536 6.142961 4.631758 5.088390 0.000000 3.001654 3.086269 1.539723 6.240931 7.159994 6.107008 6.745521 6.100243 6.007383 3.882387 4.334536 0.978231 0.000000 4.053834 4.820163 5.435518 5.121188 5.580813 2.702138 3.129356 4.228823 1.723814 4.480303 5.325311 6.226580 5.968486 0.000000 4.241968 4.114991 5.378913 5.646840 6.208401 3.142058 3.431227 4.759616 2.257668 3.758095 4.612349 6.061117 5.655204 0.989798 0.000000 4.317842 7.392664 3.847791 5.311769 5.843954 7.233502 8.036873 5.899887 7.541847 7.790093 8.155815 3.971941 4.916760 8.192981 8.463664 0.000000 3.813156 5.023609 2.826554 5.040040 5.890188 6.224604 6.833152 5.363645 6.579370 5.409591 5.552122 2.516447 3.069342 7.278364 7.236220 2.999544 0.000000 3.197141 4.400041 1.910969 5.297682 6.183878 6.093381 6.753140 5.472344 6.295874 4.919845 5.182522 1.479730 2.074362 6.763565 6.665755 3.257196 1.039803 0.000000 3.765697 4.652479 3.141269 4.364843 5.246514 5.479262 6.006696 4.648395 5.926821 4.865323 4.950934 3.015090 3.366192 6.790938 6.745968 3.631974 1.036739 1.680222 0.000000 2.725853 4.885891 3.852225 5.819017 6.392406 4.594190 5.371955 5.253288 3.873226 5.116591 6.062762 4.684101 4.600357 2.849225 3.045190 6.809199 6.426859 5.660144 6.351646 0.000000 3.054813 4.825340 4.369653 5.496105 6.027671 3.886911 4.598534 4.808780 3.068452 4.868793 5.812759 5.214476 5.066522 1.895199 2.208230 7.270255 6.726127 6.041481 6.501629 0.973848 0.000000 1.757785 4.606785 3.008005 5.095047 5.724172 4.262465 5.115473 4.631004 3.715423 4.869293 5.770621 3.907147 3.949477 3.125167 3.358517 5.856291 5.506706 4.778279 5.450121 0.980463 1.533602 0.000000 4.142043 7.020449 3.817560 4.562689 5.122870 6.608745 7.359446 5.199054 7.014247 7.319819 7.631717 3.980448 4.848300 7.830106 8.098384 0.963723 2.540685 3.016252 2.959289 6.771048 7.115523 5.794652 0.000000 3.518391 6.781828 3.598712 3.768450 4.305634 5.822028 6.612983 4.382244 6.208540 7.010835 7.407452 3.999553 4.827013 7.042771 7.390612 1.547473 2.912915 3.225345 3.106493 6.080310 6.366366 5.111548 0.986358 0.000000 3.776505 5.802071 3.027949 4.736696 5.497192 6.306188 6.986410 5.196662 6.686757 6.155046 6.379062 2.936433 3.686506 7.440909 7.530467 2.029204 1.028194 1.663692 1.648610 6.474958 6.803819 5.511659 1.514399 1.994681 0.000000 3.875920 3.270505 4.004936 7.281411 8.052582 5.723408 6.260013 6.682010 5.056329 3.775466 4.660817 4.364339 3.759797 3.964511 3.402688 7.775506 6.481375 5.562946 6.433419 2.681511 2.969433 2.975691 7.715861 7.281127 6.913706 0.000000 3.271393 3.780641 3.738467 6.707366 7.422247 5.246474 5.880908 6.115743 4.542257 4.187465 5.123713 4.297763 3.888872 3.417927 3.082203 7.324245 6.354491 5.465293 6.307748 1.695374 2.094951 2.078462 7.281881 6.757639 6.649935 0.991491 0.000000 4.636277 4.050595 4.666793 8.175229 8.925653 6.608899 7.141856 7.580613 5.891207 4.601096 5.444004 4.962765 4.369726 4.649829 4.101944 8.398309 7.227853 6.265508 7.261603 3.146219 3.534263 3.590316 8.421445 8.010940 7.646706 0.962250 1.561430 0.000000 2.744314 6.484916 3.647838 2.675594 3.153401 4.511243 5.376291 3.121532 4.823455 6.578256 7.118911 4.386901 5.051919 5.661726 6.162096 3.101018 3.948382 3.997581 3.838003 4.949436 5.089285 4.044458 2.699787 1.718492 3.302802 6.601047 5.929240 7.356847 0.000000 3.301152 7.279544 4.326657 3.109679 3.333225 4.938727 5.821959 3.549469 5.184107 7.371030 7.962112 5.111084 5.804265 5.937449 6.547557 3.483187 4.827878 4.844470 4.782438 5.124667 5.281279 4.297988 3.256286 2.299016 4.106398 7.067816 6.306613 7.764984 0.962983 0.000000 3.070562 6.387860 4.132206 1.686629 2.206145 3.793496 4.596833 2.209381 4.254624 6.334339 6.829230 4.866372 5.408420 5.343350 5.870036 3.852880 4.217023 4.366799 3.859055 5.158510 5.112666 4.303385 3.262592 2.334825 3.694739 6.778073 6.130699 7.599143 0.990553 1.559217 0.000000 4.121023 4.506813 4.008512 3.632934 4.516259 4.559097 4.917770 3.818909 5.161988 4.410867 4.403253 4.084136 4.216070 6.280626 6.241817 4.755138 2.521260 3.004328 1.485254 6.487451 6.413015 5.656156 3.938110 3.830067 2.953819 6.629555 6.501113 7.540455 4.085063 5.029868 3.735730 0.000000 3.479249 3.787717 3.606620 3.348305 4.288051 3.733208 4.128494 3.295943 4.254522 3.628613 3.766065 3.835460 3.846525 5.309384 5.247850 5.053625 2.921737 3.083067 1.981210 5.641104 5.503885 4.864738 4.308686 4.017051 3.363337 5.790524 5.645113 6.723964 3.899396 4.827964 3.509763 0.995210 0.000000 4.302707 5.312989 4.444384 2.948818 3.756463 4.417438 4.793527 3.324648 5.130988 5.154572 5.202309 4.650969 4.915674 6.414992 6.516173 4.578870 2.931619 3.532169 1.985626 6.713104 6.599721 5.856191 3.675817 3.471669 3.046910 7.197594 6.954707 8.117763 3.658519 4.550831 3.182104 0.964361 1.548717 0.000000 3.885195 1.772538 3.043405 7.008583 7.933278 6.094039 6.567710 6.631200 5.827212 2.735222 3.248939 2.810777 1.853141 5.484781 4.895240 6.704481 4.624548 3.749068 4.630248 4.543703 4.839120 4.217234 6.552524 6.417989 5.353567 2.727761 3.282228 3.320710 6.327065 7.066028 6.502986 5.028944 4.439961 5.829273 0.000000 4.784299 2.329109 3.788074 7.948500 8.879420 7.014866 7.447992 7.582313 6.730130 3.300243 3.654833 3.384795 2.427074 6.301093 5.645917 7.340326 5.210781 4.338456 5.299514 5.290930 5.629255 5.042330 7.243526 7.193574 5.991305 3.170537 3.881811 3.538914 7.213008 7.948936 7.424477 5.770011 5.257419 6.616551 0.962967 0.000000 3.667826 2.130643 3.139374 7.043733 7.925360 5.901670 6.417200 6.585422 5.488215 2.968505 3.681596 3.158802 2.328491 4.890233 4.300591 6.967005 5.207407 4.283178 5.211006 3.765680 4.092772 3.597013 6.864563 6.615526 5.814597 1.753237 2.359691 2.358731 6.309608 6.956938 6.505847 5.555697 4.854775 6.270947 0.984166 1.548246 0.000000 4.913830 3.193535 5.563256 6.805179 7.490881 4.400171 4.540178 5.972911 3.698271 2.894460 3.707033 6.013575 5.365832 2.698693 1.713190 9.061307 7.392028 6.733634 6.942998 3.839228 3.308775 4.163170 8.719356 8.157167 7.888772 2.807880 3.026701 3.429840 7.194919 7.713203 6.973573 6.515953 5.550453 7.010471 4.102764 4.651754 3.540563 0.000000 4.528889 3.035836 5.035979 7.002592 7.725750 4.848598 5.148884 6.235562 4.123804 3.047020 3.932970 5.462875 4.803458 2.982922 2.109420 8.683350 7.115690 6.356351 6.796618 3.292311 2.982885 3.662644 8.435157 7.908304 7.602271 1.853596 2.182172 2.456822 7.021117 7.523324 6.934744 6.580182 5.637458 7.114043 3.522807 4.036712 2.808705 0.976181 0.000000 4.773456 2.415523 5.261061 6.485457 7.233633 4.218990 4.305823 5.698998 3.702806 1.967057 2.748017 5.618052 4.926140 3.132866 2.203330 8.709901 6.795580 6.197485 6.288649 4.258852 3.787328 4.374676 8.307349 7.809271 7.370422 3.074989 3.388931 3.816211 6.982588 7.599630 6.720482 5.799272 4.863618 6.358014 3.639465 4.208666 3.293138 0.969488 1.521975 0.000000 2.731199 2.944462 3.329708 3.511971 4.423085 2.721273 3.220077 3.040367 2.939081 2.698608 3.205574 3.809191 3.618653 3.739619 3.621851 5.754421 3.943082 3.683523 3.246010 4.272371 4.014181 3.644138 5.166176 4.665906 4.341357 4.449339 4.255698 5.408158 4.026744 4.831449 3.663445 2.628501 1.636928 3.025436 3.748208 4.663395 3.873083 4.003341 4.108338 3.425461 0.000000 3.308894 2.081507 3.657556 4.445732 5.336854 3.213824 3.530543 3.906948 3.273294 1.718404 2.270581 3.990627 3.557430 3.788909 3.414258 6.487529 4.393600 4.031609 3.731872 4.439993 4.160134 3.959363 5.940007 5.518353 4.956236 4.053215 4.066216 5.003967 4.961852 5.761230 4.642387 3.140627 2.202040 3.718691 3.222537 4.074405 3.385704 3.387791 3.534434 2.664787 0.984689 0.000000 0.981141 5.070001 2.251620 3.450045 4.152781 4.073487 4.991925 3.421953 4.087694 5.282709 5.954904 3.173346 3.676194 4.504444 4.850168 3.715038 3.717724 3.322020 3.662194 3.378650 3.638512 2.414945 3.491200 2.733552 3.439209 4.840041 4.184501 5.586417 1.774348 2.335153 2.205517 4.010244 3.506530 3.980590 4.764390 5.659905 4.623118 5.707916 5.405860 5.552439 3.072548 3.843282 0.000000 3.111713 3.622703 4.080763 3.065048 3.882372 1.750806 2.255288 2.387771 2.076050 3.186545 3.708321 4.675429 4.527915 3.191624 3.228369 6.264472 4.741155 4.552687 3.993574 4.291264 3.838240 3.759840 5.640441 5.017088 5.013650 4.821871 4.520248 5.774927 4.093691 4.792156 3.554886 3.170655 2.218896 3.330325 4.563628 5.482892 4.554179 3.937672 4.209562 3.471119 0.982165 1.583634 3.321407 0.000000 0.984097 3.585156 2.063602 3.689242 4.542315 3.383350 4.192148 3.358061 3.316707 3.741526 4.449007 2.877836 2.963521 3.661436 3.747322 4.766093 3.690709 3.164243 3.400296 3.038821 3.106585 2.192021 4.411450 3.813423 3.833582 3.812027 3.346664 4.687858 3.043268 3.739003 3.076540 3.465740 2.688778 3.724101 3.577489 4.529506 3.462170 4.352255 4.113817 4.077897 1.751209 2.357887 1.551164 2.191331 0.000000 4.939273 5.641445 6.356475 5.757367 6.099839 3.253302 3.522471 4.842365 2.289312 5.256067 6.074696 7.159135 6.895455 0.962737 1.554921 9.046229 8.229448 7.719948 7.731975 3.426259 2.459670 3.862958 8.692998 7.872414 8.366410 4.588916 4.051141 5.154876 6.412652 6.595650 6.068113 7.174235 6.208179 7.266479 6.335387 7.109800 5.689505 3.127026 3.492355 3.711115 4.658845 4.682913 5.343717 4.040575 4.602240 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.4303,-.1063,-1.4029;1.9059,-1.8012,1.7444;-.8284,-1.7626,-1.1158;-2.2582,2.9762,.5216;-2.5902,3.859,.331;.5826,3.0788,.915;.9259,3.49,1.7145;-1.2933,3.0777,.5881;1.3683,2.903,.3462;2.0623,-1.014,2.3098;1.889,-1.296,3.2137;-1.0195,-2.6527,-.735;-.2004,-2.8658,-.2444;2.6996,2.3392,-.5925;3.1977,1.6518,-.0835;-4.5864,-1.2263,-1.7442;-2.9989,-2.0067,.6782;-2.1604,-2.307,.1415;-2.7017,-1.2844,1.3599;1.9587,.4494,-2.592;2.2671,1.1828,-2.0304;1.0466,.2861,-2.2715;-4.4977,-.7266,-.925;-3.9367,.0504,-1.1587;-3.6266,-1.5305,.0175;3.1678,-1.5403,-1.2616;2.7278,-.8502,-1.8212;3.7748,-2.0083,-1.8434;-2.7918,1.2894,-1.4857;-2.9707,1.8138,-2.2733;-2.6263,1.9407,-.7579;-2.273,-.2017,2.2819;-1.3799,.0728,1.9395;-2.8435,.5536,2.0977;1.5271,-2.9215,.424;1.8907,-3.8036,.5547;2.0995,-2.5026,-.2582;4.0123,.3351,.6499;3.8822,-.3431,-.0402;3.4504,.0186,1.3738;.0526,.4285,1.2315;.8024,-.038,1.667;-1.2546,.4055,-1.549;.2636,1.3877,1.237;-.1863,.0891,-.4698;3.3445,3.0222,-.8033; 0.3524969 0.2300128 0.1950472 -19.16090 -19.13652 -19.13385 -19.13302 -19.13300 -19.13280 -19.13201 -19.13082 -19.13025 -19.12886 -19.12543 -19.12141 -19.12099 -19.11891 -19.11501 -1.06918 -1.03644 -1.03391 -1.03016 -1.02727 -1.02493 -1.02193 -1.02129 -1.01731 -1.01379 -1.00972 -1.00785 -1.00190 -0.99847 -0.99302 -0.56641 -0.56254 -0.55253 -0.54660 -0.54588 -0.54429 -0.54278 -0.54213 -0.54006 -0.53872 -0.53555 -0.53432 -0.53058 -0.52926 -0.52530 -0.52229 -0.44874 -0.44206 -0.44059 -0.43791 -0.42563 -0.42112 -0.41816 -0.40657 -0.40587 -0.40141 -0.39547 -0.39051 -0.38747 -0.38374 -0.36970 -0.33834 -0.33631 -0.33565 -0.33344 -0.33178 -0.33055 -0.33015 -0.32881 -0.32769 -0.32647 -0.32462 -0.32139 -0.31929 -0.31786 -0.00414 0.01954 0.02960 0.03994 0.05304 0.06000 0.06278 0.06995 0.07628 0.09082 0.09389 0.09810 0.10519 0.11130 0.11413 0.11793 0.12174 0.12930 0.13215 0.13811 0.14212 0.14866 0.14946 0.15017 0.15678 0.16449 0.16828 0.17225 0.17368 0.17551 0.18268 0.18567 0.18874 0.19588 0.19813 0.20118 0.20335 0.20993 0.21229 0.21345 0.22170 0.22321 0.22713 0.23026 0.23568 0.23901 0.24529 0.25155 0.25208 0.25275 0.25905 0.26005 0.26792 0.27184 0.27482 0.27592 0.27969 0.28291 0.28416 0.28687 0.29490 0.29752 0.30026 0.30274 0.30379 0.30826 0.31191 0.31646 0.31878 0.32190 0.33337 0.33866 0.34272 0.35897 0.36979 0.39614 0.40075 0.41206 0.42940 0.43814 0.44282 0.44959 0.45373 0.45805 0.46131 0.47052 0.47377 0.48229 0.50230 0.50534 0.51086 0.52143 0.52617 0.52994 0.53754 0.54062 0.54769 0.55166 0.55829 0.56718 0.57290 0.57992 0.58408 0.58881 0.59914 0.60162 0.60704 0.61323 0.61566 0.63184 0.64234 0.65644 0.65792 0.66174 0.67130 0.68601 0.69425 0.70275 0.70635 0.72264 0.73905 0.75165 0.93110 0.93822 0.94849 0.95480 0.96023 0.96741 0.97526 0.97804 0.98342 0.98790 0.99690 1.00180 1.00720 1.01579 1.02109 1.02522 1.03385 1.04680 1.05183 1.05466 1.05630 1.07026 1.07158 1.08082 1.08558 1.09119 1.09833 1.10088 1.10551 1.10572 1.11112 1.11801 1.12007 1.13254 1.13784 1.14521 1.14902 1.15300 1.16926 1.17256 1.17824 1.18504 1.19299 1.20090 1.20920 1.22092 1.23980 1.24056 1.24864 1.26069 1.27166 1.28472 1.29036 1.30230 1.30835 1.31712 1.32179 1.32484 1.33790 1.34523 1.35110 1.35745 1.36477 1.36673 1.36874 1.38525 1.39240 1.40210 1.40716 1.41723 1.42382 1.43095 1.43656 1.44809 1.46077 1.47285 1.47804 1.48958 1.49643 1.50189 1.51614 1.53101 1.53333 1.54077 1.54944 1.55295 1.56365 1.56617 1.58506 1.58875 1.59631 1.60422 1.61175 1.61904 1.62453 1.63435 1.63750 1.64312 1.65196 1.65758 1.66324 1.66891 1.67764 1.69318 1.70196 1.71304 1.72755 1.73690 1.76063 1.76251 1.77228 1.79534 1.79983 1.80335 1.82167 1.83117 1.84173 1.84926 1.86414 1.89112 1.93088 2.00978 2.02732 2.03055 2.03249 2.03879 2.04287 2.04939 2.05452 2.05499 2.18506 2.23170 2.23787 2.25195 2.27202 2.27696 2.29089 2.30145 2.31619 2.32391 2.33686 2.34558 2.35880 2.38276 2.38629 2.40248 2.42449 2.43333 2.44675 2.46059 2.49150 2.51368 2.54140 2.57800 2.58307 2.59445 2.60772 2.61531 2.62550 2.65046 2.66089 2.67397 2.69413 2.70090 2.70860 2.71829 2.72175 2.73189 2.74191 2.75046 2.76025 2.76989 2.77932 2.79979 2.81746 2.81909 2.83381 2.84202 2.85816 2.86254 2.87382 2.90741 2.91661 2.95159 3.06817 3.07551 3.08192 3.08804 3.09240 3.09812 3.10476 3.10575 3.11269 3.11312 3.12522 3.12859 3.13072 3.13973 3.14385 3.14911 3.15112 3.15218 3.15945 3.16128 3.16817 3.17163 3.18595 3.18984 3.20263 3.20877 3.21929 3.22090 3.28852 3.29693 3.30083 3.30470 3.31261 3.31784 3.31844 3.32052 3.32972 3.33381 3.33848 3.34046 3.35266 3.35315 3.38123 3.39689 3.51511 3.65705 3.67130 3.68156 3.70292 3.70539 3.72004 3.72797 3.73128 3.73502 3.74546 3.75450 3.77378 3.77671 3.79382 3.88280 3.90263 3.90696 3.91280 3.92355 3.92641 3.92791 3.93661 3.94932 3.95205 3.95604 3.95996 3.97012 3.98373 4.00968 4.03121 4.96110 4.98907 4.99765 5.00712 5.02170 5.03949 5.05285 5.05654 5.06323 5.07085 5.07524 5.08650 5.16345 5.17310 5.21123 5.36594 5.37619 5.40704 5.42081 5.43620 5.44578 5.46630 5.47493 5.47883 5.48483 5.50149 5.50391 5.53234 5.55626 5.65264 5.66674 5.66792 5.67184 5.67616 5.68120 5.68602 5.68806 5.69872 5.70362 5.70823 5.73305 5.75969 5.78171 5.79295 5.80978 49.86992 49.89004 49.89449 49.89826 49.90533 49.90756 49.92213 49.92699 49.93330 49.93882 49.94482 49.95822 49.97183 49.98196 50.00064 1-A. 0.1593 4.0096 0.7456 4.0815 -74.4608 -52.5303 -90.9733 -19.9032 17.1187 -0.2948 -1.8060 20.1245 -18.3185 -19.9032 17.1187 -0.2948 -16.3206 78.3670 36.5260 57.5682 16.2910 -94.8834 -11.3937 1.2940 16.8235 4.1096 -3985.2572 -1443.8800 -1237.7592 -139.2394 -12.1572 -272.5207 -19.6396 267.5120 -5.3576 -579.5303 -681.9896 -452.7819 55.4499 53.7328 -84.2394 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; 0.000000 4.281513 0.000000 1.740826 3.870993 0.000000 3.941433 6.408852 5.178532 0.000000 4.777248 7.328401 6.078910 0.965169 0.000000 4.087539 5.243354 5.485199 2.814557 3.250600 0.000000 5.007268 5.628812 6.323467 3.355625 3.645472 0.965099 0.000000 3.768217 5.932256 5.139958 0.978113 1.544402 1.841856 2.437223 0.000000 3.976290 5.033612 5.411956 3.594949 4.053273 0.986658 1.560588 2.634703 0.000000 4.540347 0.984394 4.439648 6.071064 6.946585 4.669899 4.922358 5.519099 4.511820 0.000000 5.363894 1.563923 5.128359 6.589566 7.449440 5.282332 5.411314 6.083913 5.227037 0.964926 0.000000 2.714027 3.820825 0.987859 5.895062 6.814654 6.244735 7.028059 5.901889 6.203418 4.515120 5.074125 0.000000 3.048179 2.991522 1.548752 6.255815 7.203450 6.200338 6.920360 6.130242 6.079711 3.787568 4.331955 0.981518 0.000000 4.142731 4.878148 5.465346 5.099242 5.607793 2.728638 3.185472 4.202349 1.749795 4.525824 5.366261 6.249279 5.985281 0.000000 4.289124 4.145254 5.352113 5.586585 6.191860 3.171531 3.533421 4.701525 2.280977 3.783151 4.611094 6.024789 5.615335 0.990230 0.000000 4.345028 7.426277 3.964498 5.384845 5.941621 7.356009 8.169958 6.005126 7.685983 7.799245 8.297130 4.109837 5.066616 8.339622 8.557977 0.000000 3.801134 4.967630 2.840674 5.112975 5.959462 6.358652 7.019927 5.463342 6.703637 5.334760 5.616010 2.546366 3.138212 7.372302 7.268557 3.081350 0.000000 3.210335 4.321351 1.938146 5.337996 6.237887 6.208039 6.925066 5.539183 6.404196 4.823333 5.209069 1.517893 2.139605 6.842972 6.682739 3.373921 1.033449 0.000000 3.769350 4.625862 3.160358 4.460508 5.319979 5.649242 6.229915 4.778296 6.083526 4.816534 5.044965 3.042826 3.442985 6.917868 6.812272 3.695789 1.026758 1.668953 0.000000 2.739752 4.899800 3.825531 5.647276 6.298172 4.515231 5.339052 5.091643 3.820462 5.105563 6.069916 4.656352 4.573988 2.829288 3.027275 6.841644 6.416015 5.662495 6.361365 0.000000 3.087062 4.836654 4.351941 5.342157 5.947372 3.802717 4.555905 4.656337 3.004560 4.855310 5.808491 5.192040 5.041632 1.865429 2.184162 7.330415 6.731934 6.053794 6.528994 0.978038 0.000000 1.764744 4.599117 2.986995 4.924947 5.633943 4.195697 5.091699 4.476702 3.683521 4.831092 5.775268 3.887465 3.935394 3.137210 3.348362 5.893029 5.491246 4.779600 5.450541 0.983552 1.543388 0.000000 4.065549 6.971958 3.827630 4.612259 5.193291 6.676485 7.440898 5.269448 7.092290 7.248784 7.705215 4.020086 4.909525 7.898238 8.109845 0.965897 2.575092 3.053008 2.979878 6.704602 7.079545 5.728239 0.000000 3.451171 6.774411 3.626013 3.835119 4.399882 5.908132 6.705248 4.472949 6.307805 6.982266 7.521148 4.054655 4.905497 7.133143 7.428728 1.555694 2.988872 3.297752 3.188048 6.015319 6.339589 5.047600 0.986623 0.000000 3.723021 5.727083 3.018480 4.807936 5.576802 6.411050 7.128258 5.288824 6.787764 6.061938 6.428368 2.946171 3.726341 7.515788 7.542084 2.104904 1.021752 1.652810 1.636370 6.428910 6.781611 5.462886 1.555732 2.067287 0.000000 3.970547 3.385902 3.988442 7.264798 8.086161 5.837587 6.470808 6.683702 5.159642 3.894092 4.747651 4.327191 3.716863 4.018330 3.455511 7.860655 6.525805 5.596435 6.521339 2.721763 3.019530 3.026299 7.717861 7.302004 6.919508 0.000000 3.361276 3.859207 3.724231 6.664412 7.439829 5.324237 6.036905 6.089754 4.621481 4.263584 5.189373 4.266781 3.852916 3.468080 3.127735 7.402459 6.391302 5.497654 6.383646 1.740130 2.152790 2.136085 7.273297 6.764101 6.649631 0.990567 0.000000 4.739825 4.184770 4.669000 8.153257 8.956630 6.712550 7.340668 7.575473 5.983959 4.738344 5.539697 4.944593 4.345959 4.693883 4.155646 8.484468 7.280506 6.311753 7.355693 3.210586 3.599694 3.661659 8.424259 8.027648 7.657580 0.965068 1.566852 0.000000 2.767941 6.596993 3.771905 2.718357 3.225106 4.617814 5.467677 3.213492 4.959971 6.663932 7.330999 4.530774 5.219901 5.807738 6.272614 3.160335 4.108656 4.166659 4.021450 4.930616 5.111930 4.034476 2.731835 1.748491 3.432877 6.713990 6.019048 7.458955 0.000000 3.377531 7.413773 4.481048 3.182882 3.454268 5.059549 5.908484 3.666734 5.347840 7.480245 8.187499 5.276262 5.987620 6.124356 6.698473 3.553029 4.991741 5.025249 4.965472 5.154568 5.355636 4.344795 3.307154 2.347383 4.245016 7.205642 6.428041 7.889866 0.965249 0.000000 3.025294 6.467384 4.196762 1.733971 2.266063 3.867746 4.652174 2.298911 4.348371 6.389142 7.017268 4.961615 5.531940 5.438367 5.931879 3.914933 4.364601 4.502016 4.039386 5.071972 5.064644 4.220397 3.305610 2.381825 3.816590 6.850622 6.173741 7.660402 0.988602 1.563029 0.000000 4.168192 4.514957 4.068596 3.747961 4.575797 4.755159 5.158737 3.975272 5.341778 4.382354 4.508795 4.149215 4.324149 6.438915 6.340838 4.856070 2.563625 3.041230 1.537374 6.536707 6.472646 5.693632 3.995956 3.953054 2.996461 6.781583 6.637823 7.698437 4.308760 5.254517 3.961138 0.000000 3.518003 3.870167 3.674089 3.323061 4.223375 3.877065 4.324991 3.334619 4.397974 3.662704 3.932851 3.919429 3.989675 5.454138 5.351522 5.118315 2.961378 3.136207 2.027181 5.689163 5.556658 4.895662 4.304066 4.062476 3.370897 5.987965 5.812939 6.927461 4.046836 4.981127 3.633524 0.992437 0.000000 4.462937 5.373088 4.604296 3.203648 3.923639 4.705311 5.083282 3.618288 5.415256 5.174559 5.331784 4.796427 5.092278 6.690842 6.721987 4.737965 3.010687 3.630612 2.061542 6.880159 6.779811 6.013437 3.802664 3.694089 3.151259 7.442678 7.197194 8.367345 4.001025 4.892226 3.543971 0.966282 1.558571 0.000000 3.980501 1.779855 3.048936 7.039849 7.987404 6.239956 6.819824 6.681361 5.944715 2.743785 3.283104 2.789087 1.823350 5.536523 4.904020 6.835478 4.680219 3.786402 4.716084 4.575652 4.865819 4.256856 6.601261 6.494883 5.381095 2.752415 3.308356 3.361400 6.510422 7.265907 6.648443 5.158526 4.635025 6.018460 0.000000 4.887151 2.354982 3.803598 7.981365 8.933205 7.165601 7.710150 7.634544 6.852477 3.327285 3.680378 3.370987 2.408235 6.360167 5.667076 7.467540 5.255601 4.367758 5.370464 5.351514 5.679035 5.105585 7.289063 7.267191 6.010673 3.215483 3.928116 3.606095 7.395420 8.148195 7.570080 5.882760 5.442646 6.780281 0.965681 0.000000 3.793019 2.175179 3.159983 7.071822 7.988115 6.045209 6.660693 6.630895 5.609530 3.008150 3.718340 3.148175 2.302061 4.948841 4.321780 7.105579 5.272120 4.334952 5.308760 3.822319 4.142550 3.666868 6.916745 6.693775 5.850536 1.774729 2.393593 2.392979 6.492803 7.161871 6.646093 5.702302 5.060540 6.494118 0.985584 1.556469 0.000000 4.861167 3.086250 5.391072 6.677783 7.406633 4.430828 4.693699 5.865345 3.726756 2.806836 3.552007 5.816265 5.158527 2.726108 1.741950 9.024861 7.261848 6.584213 6.849705 3.817893 3.298625 4.105770 8.595728 8.073572 7.743668 2.812319 3.026863 3.472483 7.222498 7.786822 6.961520 6.464755 5.536446 7.055615 3.948102 4.522286 3.411910 0.000000 4.511391 2.981706 4.891309 6.901129 7.672729 4.902886 5.317297 6.154878 4.175895 3.020989 3.844689 5.292058 4.618916 3.021079 2.150330 8.672789 7.021390 6.243644 6.742880 3.294222 2.999052 3.634592 8.336880 7.844910 7.487114 1.851479 2.181528 2.498073 7.067393 7.611598 6.940424 6.579956 5.680940 7.211978 3.387535 3.930174 2.685042 0.978830 0.000000 4.688889 2.275682 5.051913 6.358277 7.139680 4.289594 4.523580 5.602235 3.770977 1.854796 2.584213 5.382648 4.687737 3.199577 2.274490 8.636050 6.625308 6.003824 6.157119 4.224477 3.771894 4.295692 8.150561 7.699083 7.187111 3.105616 3.400769 3.880053 6.996957 7.656639 6.704278 5.713078 4.823783 6.359066 3.468994 4.066257 3.163302 0.977075 1.532838 0.000000 2.748367 3.043970 3.368420 3.372461 4.287135 2.757734 3.330537 2.934388 2.989032 2.738798 3.346738 3.867665 3.728677 3.811608 3.667695 5.827161 3.989203 3.737275 3.304498 4.276943 4.011653 3.631908 5.153160 4.681777 4.348472 4.634957 4.403764 5.596908 4.123237 4.945888 3.705702 2.675266 1.689019 3.129296 3.936391 4.849198 4.073435 3.965224 4.137581 3.374659 0.000000 3.297155 2.179121 3.631129 4.317097 5.208136 3.262062 3.686505 3.808895 3.319137 1.761778 2.400219 3.979095 3.596823 3.842311 3.447318 6.526604 4.383099 4.018855 3.734893 4.432962 4.145133 3.927986 5.893017 5.504129 4.912745 4.229499 4.196159 5.187256 5.039860 5.860304 4.674722 3.137598 2.227133 3.766788 3.374677 4.229640 3.553290 3.333952 3.552401 2.597069 0.982698 0.000000 0.980907 5.114947 2.297981 3.386867 4.153980 4.146391 5.081447 3.412259 4.197542 5.301626 6.074482 3.222453 3.754181 4.631521 4.933036 3.735793 3.751977 3.379133 3.721875 3.371959 3.670665 2.406276 3.428084 2.673659 3.428457 4.926219 4.260111 5.670926 1.799172 2.410855 2.175634 4.123776 3.591695 4.214467 4.878674 5.775380 4.754711 5.691029 5.412461 5.510601 3.130462 3.871654 0.000000 3.137288 3.710595 4.122446 2.957946 3.774133 1.793275 2.358149 2.297045 2.124820 3.230684 3.838660 4.733300 4.620139 3.254838 3.265112 6.367599 4.823360 4.628915 4.098904 4.271282 3.811882 3.732461 5.669473 5.074684 5.065348 4.976511 4.642544 5.928492 4.216332 4.933012 3.631524 3.279690 2.309363 3.512906 4.717630 5.637481 4.718478 3.909411 4.238334 3.449418 0.980791 1.581632 3.401304 0.000000 0.985864 3.648570 2.082938 3.513926 4.419221 3.406138 4.266198 3.232164 3.384780 3.758422 4.550515 2.907229 3.045716 3.776051 3.829716 4.774280 3.667801 3.170434 3.389190 3.078342 3.155805 2.210832 4.315461 3.734441 3.762934 3.990106 3.507753 4.870109 3.059481 3.797900 3.021301 3.483402 2.706508 3.837402 3.737937 4.691514 3.657755 4.341614 4.154309 4.036237 1.763237 2.358628 1.556578 2.210167 0.000000 5.039821 5.688925 6.389536 5.773452 6.171005 3.295546 3.574502 4.851295 2.327311 5.297864 6.096927 7.179951 6.902086 0.965474 1.562308 9.211609 8.332673 7.804250 7.869989 3.421928 2.456534 3.892604 8.782794 7.985898 8.456544 4.614193 4.081500 5.165891 6.578173 6.806860 6.187083 7.345105 6.360574 7.561054 6.364572 7.143244 5.721808 3.177868 3.534517 3.800523 4.733124 4.737005 5.486356 4.109778 4.723325 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.482,-.0445,-1.3662;1.8757,-1.8649,1.7093;-.7681,-1.7432,-1.1156;-2.1865,2.953,.5429;-2.5523,3.844,.4819;.5933,3.1596,.9329;.8808,3.6753,1.6963;-1.2187,3.0762,.6131;1.4057,2.974,.4047;2,-1.081,2.2916;1.9811,-1.405,3.2004;-.9245,-2.6544,-.7674;-.0841,-2.8767,-.3118;2.7679,2.3814,-.52;3.2182,1.6556,-.0191;-4.6397,-1.2305,-1.7973;-2.9705,-2.0986,.6429;-2.115,-2.3685,.1298;-2.713,-1.4019,1.3519;1.9152,.5858,-2.5334;2.2424,1.2898,-1.9386;1.0093,.399,-2.1992;-4.4645,-.7603,-.972;-3.9294,.0293,-1.2241;-3.578,-1.6145,-.0208;3.2049,-1.5182,-1.3855;2.7497,-.8019,-1.8962;3.8118,-1.9491,-1.9997;-2.855,1.367,-1.5611;-3.0628,1.908,-2.333;-2.6482,1.9978,-.8286;-2.3148,-.3185,2.3673;-1.4695,.0581,2.0088;-2.9575,.4015,2.3203;1.6183,-2.9665,.3353;1.9796,-3.8542,.4533;2.1917,-2.5304,-.3373;3.9081,.2285,.7034;3.8117,-.4112,-.0312;3.3107,-.1279,1.3895;-.0051,.491,1.287;.7348,-.0083,1.698;-1.3096,.4457,-1.5584;.2398,1.4406,1.3014;-.2844,.1605,-.4223;3.4494,3.0392,-.7068; 0.3417022 0.2296589 0.1933725 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= 531 531 531 531 531 MxSgAt= 46 MxSgA2= 46. 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= 516 RedAO= T EigKep= 9.66D-05 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 531 530 530 531 531 MxSgAt= 46 MxSgA2= 46. 1 6.26845172e-02 1.57751738e+00 2.93355197e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 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 1 -0.000866179 -0.000436179 0.002086335 -0.002221753 -0.000658568 0.000787959 0.001598218 -0.000233376 0.001280255 -0.002013291 -0.000064028 -0.001817790 0.002527669 -0.002029118 -0.000186450 -0.000628354 -0.003622803 -0.000606601 0.002246634 0.001182523 -0.001681889 0.000670562 0.004663001 0.001367861 -0.000208219 0.001097915 0.001511210 0.002373282 0.001249826 0.001761389 0.000027181 0.001370572 -0.002365721 -0.002069990 -0.000103688 0.001043862 -0.000420876 0.002671442 0.000388395 -0.001116577 -0.002080054 0.000491652 -0.000392206 0.000936712 -0.000048894 -0.001892389 -0.001739682 0.001273545 -0.000440245 0.000095512 -0.000835436 0.000054882 -0.001169508 -0.002187776 -0.002227715 -0.001015407 0.001176990 -0.000737993 -0.000102490 0.003198915 0.003265839 0.001203335 -0.001161492 -0.000822525 -0.002073816 -0.002238922 0.000184631 -0.001737754 -0.001455581 0.001734758 0.000502201 0.001213675 -0.000997392 0.002403753 -0.000932601 0.000677823 0.000798127 -0.001890149 0.000167011 -0.000720585 0.000723750 -0.001719533 0.001155016 0.002209099 -0.001048311 0.000185147 -0.000271720 0.000694796 -0.001882375 0.001690649 0.000325307 0.000164841 -0.000004460 0.000807382 0.000912788 -0.002443311 0.000074602 0.000887695 0.001211496 0.001694293 -0.002053377 -0.001268756 0.000442509 -0.002001266 -0.001604259 -0.002515191 0.001409971 -0.000515028 0.001233294 0.000418986 0.001906492 0.002268122 0.001388554 0.001071988 -0.002825783 -0.001015040 0.001268960 -0.001551940 -0.000340067 -0.004462908 -0.000152031 -0.000001687 0.000734996 0.000190998 0.000460729 0.000103378 0.000128042 -0.000947426 -0.000535225 0.000771376 -0.000401199 0.000044367 0.000414601 0.000716431 -0.001659845 0.002294681 0.000554412 0.001627593 0.004663001 0.001508643 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.67201390308 -1147.67201434801 -0.000000444929 -1147.67201434821 -0.000000000198 -1147.67201435343 -0.000000005226 -1147.67201435356 -0.000000000131 -1147.67201435 5 1.143722205103e+03 -5.631070857830e+03 1.871112957279e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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) PT39017.700S Tue Nov 5 17:29:10 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 46 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 H -0.806437 0.403846 0.371415 -0.748821 0.348319 -0.778072 0.330695 0.419697 0.436129 -0.770160 0.351716 -0.747102 0.391188 -0.763310 0.423430 0.317974 -0.693251 0.495478 0.490840 -0.767622 0.371274 0.396646 -0.713247 0.423027 0.491270 -0.779888 0.437838 0.343941 -0.759139 0.339781 0.441186 -0.697705 0.424024 0.312203 -0.731612 0.339366 0.413103 -0.687727 0.359196 0.345399 -0.889465 0.488647 0.437705 0.447913 0.398008 0.342303 1.00000 -19.17208 -19.13652 -19.13480 -19.13407 -19.13363 -19.13329 -19.13220 -19.13161 -19.13070 -19.13052 -19.12391 -19.12345 -19.12027 -19.11772 -19.11353 -1.07689 -1.03479 -1.03127 -1.02863 -1.02542 -1.02231 -1.02061 -1.01864 -1.01656 -1.01357 -1.00837 -1.00466 -1.00128 -0.99815 -0.99182 -0.57208 -0.56875 -0.55330 -0.54721 -0.54599 -0.54423 -0.54279 -0.54269 -0.54030 -0.53907 -0.53629 -0.53390 -0.52900 -0.52711 -0.52246 -0.52086 -0.44742 -0.44100 -0.43933 -0.43707 -0.42415 -0.41982 -0.41617 -0.40638 -0.40535 -0.39928 -0.39399 -0.38922 -0.38581 -0.38257 -0.36868 -0.33906 -0.33706 -0.33632 -0.33412 -0.33225 -0.33138 -0.33045 -0.32853 -0.32754 -0.32687 -0.32524 -0.31968 -0.31889 -0.31693 -0.00493 0.01912 0.02852 0.03886 0.05248 0.05758 0.06236 0.06865 0.07584 0.08972 0.09422 0.09673 0.10461 0.11070 0.11403 0.11601 0.11977 0.12790 0.12949 0.13774 0.14233 0.14565 0.14838 0.14972 0.15412 0.16232 0.16725 0.17228 0.17300 0.17374 0.18113 0.18565 0.18813 0.19205 0.19552 0.20048 0.20380 0.20909 0.21244 0.21367 0.21704 0.22016 0.22646 0.23077 0.23533 0.23709 0.24298 0.24957 0.25468 0.25588 0.25877 0.25965 0.26562 0.26927 0.27270 0.27451 0.27791 0.27895 0.28048 0.28276 0.29073 0.29499 0.29539 0.29703 0.29913 0.30442 0.30635 0.31198 0.31392 0.31790 0.32798 0.33273 0.33543 0.34796 0.36202 0.39087 0.39228 0.40212 0.42132 0.42456 0.42849 0.43920 0.45258 0.45594 0.45723 0.46814 0.47228 0.47842 0.49821 0.50225 0.51070 0.52347 0.52615 0.53157 0.53861 0.54245 0.54762 0.55617 0.55899 0.56071 0.56585 0.57729 0.58247 0.59011 0.59891 0.60328 0.60586 0.61075 0.62244 0.62677 0.63935 0.64790 0.65300 0.66373 0.67254 0.68045 0.68343 0.69959 0.70431 0.71314 0.72795 0.75505 0.94311 0.94469 0.95273 0.96219 0.96567 0.97318 0.97756 0.98031 0.98739 0.99152 1.00202 1.00608 1.01159 1.01647 1.02264 1.02507 1.03151 1.04442 1.04826 1.05115 1.05648 1.06390 1.07095 1.07877 1.08018 1.08719 1.09429 1.09806 1.10145 1.10354 1.10806 1.11345 1.11733 1.12445 1.13119 1.13745 1.14419 1.14692 1.15767 1.15955 1.16724 1.18132 1.18605 1.20265 1.21405 1.21700 1.24055 1.24288 1.25328 1.26168 1.27319 1.28135 1.29105 1.29877 1.30496 1.31435 1.31845 1.32557 1.33844 1.34060 1.34870 1.35001 1.35598 1.35676 1.35920 1.37766 1.38865 1.39396 1.40170 1.41578 1.42084 1.42468 1.43194 1.43770 1.45957 1.46693 1.47385 1.47704 1.48483 1.49429 1.51152 1.52201 1.52775 1.53656 1.53886 1.54837 1.55403 1.55545 1.57651 1.58218 1.58939 1.60000 1.60233 1.61207 1.61646 1.62474 1.62707 1.64514 1.65022 1.65423 1.65718 1.66524 1.67190 1.69321 1.69856 1.71834 1.72376 1.73480 1.74898 1.76206 1.76738 1.79139 1.79622 1.80176 1.82080 1.83247 1.84161 1.84467 1.86317 1.88658 1.91780 2.01519 2.02868 2.02965 2.03256 2.04007 2.04134 2.04773 2.05139 2.05598 2.19133 2.21516 2.24210 2.25194 2.26047 2.26858 2.28314 2.29122 2.30889 2.32171 2.33016 2.34639 2.34800 2.35926 2.37843 2.38748 2.40394 2.41067 2.42473 2.44238 2.47202 2.49238 2.51626 2.55716 2.56147 2.56432 2.57938 2.58676 2.60366 2.60973 2.62929 2.64186 2.68230 2.69145 2.70178 2.70968 2.71072 2.72825 2.73430 2.73532 2.75399 2.76112 2.77327 2.78507 2.79724 2.80368 2.82189 2.82831 2.84220 2.84539 2.86059 2.88810 2.90458 2.93762 3.07423 3.07701 3.08467 3.08641 3.09623 3.10181 3.10495 3.10597 3.10855 3.11636 3.12189 3.12923 3.13288 3.13558 3.14040 3.14425 3.14702 3.14960 3.15310 3.15575 3.15878 3.16193 3.17765 3.18440 3.19598 3.20396 3.21456 3.21554 3.28369 3.28942 3.29326 3.30007 3.30741 3.30963 3.31055 3.31549 3.32505 3.32655 3.32797 3.33434 3.34257 3.34933 3.37571 3.39333 3.52433 3.67830 3.68360 3.69253 3.70537 3.71064 3.71372 3.71834 3.72601 3.72690 3.73574 3.74183 3.76194 3.77366 3.78865 3.86912 3.88302 3.90335 3.90672 3.91955 3.92353 3.92627 3.92975 3.93676 3.93972 3.94407 3.95283 3.96421 3.98027 3.99461 4.02178 4.96143 4.98362 4.99919 5.00174 5.02226 5.02974 5.03961 5.05302 5.05399 5.06680 5.06951 5.07841 5.14821 5.16323 5.20603 5.36586 5.37380 5.39618 5.41703 5.43040 5.44465 5.44994 5.45635 5.46930 5.47348 5.49143 5.50253 5.52808 5.55355 5.64471 5.65750 5.65895 5.66259 5.66314 5.67091 5.67340 5.67711 5.68909 5.69588 5.70974 5.72699 5.73279 5.75615 5.77223 5.78436 49.85924 49.88578 49.88864 49.89564 49.90223 49.90869 49.91770 49.91970 49.92864 49.93727 49.93992 49.94699 49.96690 49.97904 49.98913 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 46 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 H -0.798608 0.394537 0.364778 -0.758228 0.350098 -0.780570 0.336698 0.426731 0.435345 -0.762265 0.358888 -0.759604 0.401536 -0.751710 0.413239 0.322848 -0.647895 0.487054 0.496656 -0.783561 0.378974 0.400727 -0.721572 0.426645 0.480243 -0.770969 0.421636 0.349401 -0.757113 0.343112 0.424278 -0.701428 0.407448 0.314468 -0.723245 0.342145 0.407683 -0.718511 0.363741 0.365831 -0.833536 0.460826 0.438865 0.421130 0.389855 0.343400 1.00000 -1.11327053e-01 1.39769477e+00 5.06265892e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.2830 3.5526 1.2868 3.7890 -67.8941 -49.7122 -89.2808 -19.5412 15.3788 1.9531 1.0683 19.2502 -20.3184 -19.5412 15.3788 1.9531 -27.3343 84.5246 34.1662 60.5079 13.5540 -92.1946 -14.8098 0.0472 26.8773 2.6793 -3782.9970 -1446.6322 -1245.2219 -107.6686 -22.2677 -269.3442 21.2748 256.6107 6.1146 -555.7280 -626.0228 -459.2116 64.6661 55.3947 -112.6532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.6720144 6.07E-9 1.05E-5 10.3827786,11.9022092,-22.2849878,-12.7599369,-4.9452282,0.656518 C01 [X(H31O15)] 1.4374596 -0.1468377 -0.3666035 0.000003536 0.000001005 -0.000000634 -0.000003686 0.000000242 -0.000003607 -0.000004797 -0.000004148 -0.000006325 -0.000003034 0.000002365 0.000006836 -0.000000748 -0.000011124 0.000010952 0.000006750 -0.000007095 -0.000003009 0.000002294 -0.000005266 0.000006452 0.000000070 -0.000015801 0.000009450 -0.000010547 -0.000004369 0.000018222 -0.000003150 -0.000004856 -0.000013063 0.000019845 -0.000003397 -0.000006317 -0.000008128 0.000009155 -0.000006279 0.000006774 -0.000008906 -0.000012166 0.000007755 -0.000008225 0.000009484 -0.000003890 -0.000004939 0.000002075 -0.000012285 0.000005058 -0.000002824 0.000011594 -0.000001660 -0.000004641 0.000001620 0.000016341 0.000003013 -0.000002326 -0.000004842 -0.000004745 -0.000017038 0.000006073 0.000001411 0.000008133 0.000002326 -0.000007454 -0.000003355 0.000013935 0.000011151 -0.000007166 -0.000025480 -0.000004154 -0.000005896 0.000018133 0.000001502 -0.000003636 0.000013921 0.000001182 0.000005680 0.000010250 -0.000003224 -0.000004892 -0.000010816 0.000003895 -0.000006669 0.000004323 -0.000002943 -0.000005758 -0.000001397 -0.000007247 -0.000015907 -0.000003876 0.000008727 -0.000009625 -0.000004821 0.000014450 0.000028456 0.000007344 0.000002183 -0.000008949 -0.000003765 -0.000008275 -0.000005856 -0.000006798 -0.000001969 0.000009334 0.000019119 -0.000004774 0.000010308 0.000017341 -0.000013838 -0.000002785 0.000002894 0.000001308 0.000042309 0.000000075 0.000038373 -0.000015119 0.000001003 -0.000019691 -0.000010662 0.000002335 -0.000020957 0.000003208 -0.000003781 0.000028745 0.000006118 0.000003108 -0.000011516 -0.000016476 -0.000006773 -0.000012116 0.000014126 0.000000695 -0.000001718 0.000005476 0.000002884 -0.000004730 -0.000001006 -0.000007792 0.000008804 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OH3O CONF51 water EM64L-G16RevC.01 132 C1[X(H31O15)] 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; Optimization 14H2OH3O CONF51 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OH3O/water/CONF51/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 4 4 4 6 6 6 6 9 10 10 12 12 13 14 14 14 15 16 17 17 17 19 20 20 20 23 23 24 26 26 26 26 29 29 29 32 32 33 35 35 38 38 41 41 41 3 22 43 45 10 35 12 5 8 31 7 8 9 44 14 11 42 13 18 35 15 21 46 38 23 18 19 25 32 21 22 27 24 25 29 27 28 37 39 30 31 43 33 34 41 36 37 39 40 42 44 45 1.7408 1.7647 0.9809 0.9859 0.9844 1.7799 0.9879 0.9652 0.9781 1.734 0.9651 1.8419 0.9867 1.7933 1.7498 0.9649 1.7618 0.9815 1.5179 1.8233 0.9902 1.8654 0.9655 1.742 0.9659 1.0334 1.0268 1.0218 1.5374 0.978 0.9836 1.7401 0.9866 1.5557 1.7485 0.9906 0.9651 1.7747 1.8515 0.9652 0.9886 1.7992 0.9924 0.9663 1.689 0.9657 0.9856 0.9788 0.9771 0.9827 0.9808 1.7632 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 3 22 22 43 5 5 8 7 7 7 8 8 9 2 2 11 3 3 13 9 9 9 15 15 21 18 18 19 21 21 22 16 16 24 27 27 27 28 28 37 24 24 24 30 30 31 19 19 33 2 2 2 13 13 36 15 15 39 26 33 33 33 42 42 44 1 1 1 1 1 1 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 14 14 14 14 14 14 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 39 41 41 41 41 41 41 22 43 45 43 45 45 8 31 31 8 9 44 9 44 44 11 42 42 13 18 18 15 21 46 21 46 46 19 25 25 22 27 27 24 25 25 28 37 39 37 39 39 30 31 43 31 43 43 33 34 34 13 36 37 36 37 37 39 40 40 38 42 44 45 44 45 45 116.8737 112.1577 95.6214 119.6684 103.3177 104.6399 105.2593 110.9509 112.9313 117.0398 106.175 114.1042 135.1273 78.3686 95.2782 106.6948 101.233 120.5096 103.7034 99.1434 116.0926 109.5657 112.3815 114.8976 94.8163 106.0333 116.7736 108.209 107.0664 106.033 103.7755 101.0072 99.542 105.6391 111.0069 106.6571 106.4821 117.0398 95.4733 118.7064 121.7605 95.517 116.7878 118.2916 97.8031 106.249 118.2409 98.3897 104.4414 108.7035 105.4368 112.2411 114.8668 99.7169 115.9766 106.2129 105.8122 100.6705 110.3585 103.2007 166.4081 110.1152 117.2775 103.2323 107.3211 115.4361 103.61 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 1 10 1 4 6 12 14 12 17 14 1 23 17 20 4 32 26 10 1 6 1 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 45 2 3 8 9 13 15 18 19 21 22 24 25 27 31 33 37 42 43 44 45 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 41 35 12 6 14 35 38 17 32 20 20 29 23 26 29 41 35 41 29 41 41 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 4 4 2 1 1 6 1 4 1 2 2 2 1 3 2 4 1 12 6 15 4 -1 -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 -2 169.2191 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 171.0883 179.2941 172.3816 170.871 173.3516 176.0648 177.9359 168.1128 170.6053 174.2389 177.7862 178.1766 173.5578 184.8458 176.1665 172.3245 173.1927 177.5644 179.408 169.6178 171.3752 187.4391 184.8435 188.9217 175.5469 173.6102 178.9234 178.0038 180.8285 180.9952 184.5395 189.5917 178.4186 186.6902 188.2389 180.463 188.976 193.4314 177.1488 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 D132 D133 D134 22 22 43 43 45 45 3 3 43 43 45 45 3 3 3 22 22 22 45 45 45 3 3 3 22 22 22 43 43 43 5 5 5 31 31 31 5 5 5 8 8 8 7 7 7 8 8 8 44 44 44 7 7 7 8 8 8 9 9 9 11 11 11 42 42 42 2 2 2 11 11 11 3 3 13 13 3 3 3 18 18 18 9 9 15 15 46 46 9 9 21 21 46 46 18 18 19 19 18 18 25 25 21 21 21 22 22 22 16 16 16 25 25 25 27 27 27 28 28 28 39 39 39 27 28 37 19 19 19 34 34 34 15 40 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 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 6 6 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 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 26 26 26 26 26 26 32 32 32 32 32 32 38 38 12 12 12 12 12 12 20 20 20 20 20 20 29 29 29 29 29 29 29 29 29 41 41 41 41 41 41 41 41 41 6 6 6 6 6 6 29 29 29 29 29 29 14 14 14 14 14 14 14 14 14 41 41 41 41 41 41 41 41 41 35 35 35 35 35 35 41 41 41 41 41 41 17 17 17 17 35 35 35 35 35 35 20 20 20 20 20 20 38 38 38 38 38 38 23 23 23 23 32 32 32 32 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 39 39 39 41 41 41 41 41 41 39 39 13 18 13 18 13 18 21 27 21 27 21 27 24 30 31 24 30 31 24 30 31 33 42 44 33 42 44 33 42 44 7 9 44 7 9 44 24 30 43 24 30 43 15 21 46 15 21 46 15 21 46 33 42 45 33 42 45 33 42 45 13 36 37 13 36 37 33 44 45 33 44 45 19 25 19 25 2 36 37 2 36 37 22 27 22 27 22 27 39 40 39 40 39 40 16 24 16 24 33 34 33 34 28 37 39 28 37 39 30 31 43 30 31 43 2 13 36 2 13 36 2 13 36 38 38 38 42 44 45 42 44 45 26 26 51.5884 169.1522 -160.8127 -43.249 -54.3741 63.1897 -131.3221 -29.0946 85.4229 -172.3497 -29.7963 72.4311 4.4265 -123.2458 123.8595 153.3729 25.7006 -87.1941 -94.7365 137.5912 24.6965 -61.0872 58.6457 176.2959 179.4964 -60.7708 56.8794 53.0652 172.7981 -69.5517 56.4603 -109.9775 166.8573 -179.1796 14.3826 -68.7826 -112.0345 24.1325 146.6677 129.1376 -94.6954 27.8398 74.1245 176.3223 -45.7324 -115.1051 -12.9073 125.038 -41.4181 60.7796 -161.275 76.4891 -54.8166 -175.1196 -37.1434 -168.4491 71.2479 -172.7715 55.9229 -64.3801 102.3049 -36.1002 -147.9691 -24.9028 -163.3079 84.8232 83.2583 -145.3824 -30.1628 -32.382 98.9773 -145.8031 -60.4685 51.8047 49.3445 161.6177 67.2555 -154.7343 -38.4752 -36.7499 101.2603 -142.4806 -15.7896 -116.4368 95.9757 -4.6716 -154.1762 105.1765 122.1197 14.8081 8.1468 -99.1649 -110.283 142.4053 53.7098 -60.9451 167.9748 53.3199 22.0475 133.7655 -91.834 19.8839 -119.0127 101.7459 5.6242 135.6634 -3.5781 -99.6997 44.5893 174.7694 -82.4555 161.8719 -67.948 34.8271 -89.0235 25.7483 152.5394 138.7644 -106.4638 20.3273 8.3757 123.1475 -110.0614 55.3209 168.5576 -62.5883 -93.545 141.9875 28.7147 152.5776 28.11 -85.1628 -57.7321 56.3358 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00022 0.00044 0.00050 0.00063 0.00082 0.00089 0.00096 0.00111 0.00113 0.00134 0.00143 0.00171 0.00199 0.00217 0.00222 0.00230 0.00247 0.00285 0.00325 0.00342 0.00364 0.00377 0.00430 0.00438 0.00464 0.00477 0.00502 0.00534 0.00570 0.00579 0.00621 0.00651 0.00690 0.00702 0.00725 0.00742 0.00780 0.00785 0.00805 0.00875 0.00884 0.00915 0.00948 0.00971 0.00984 0.01008 0.01024 0.01078 0.01093 0.01114 0.01132 0.01153 0.01184 0.01210 0.01235 0.01258 0.01304 0.01343 0.01365 0.01415 0.01474 0.01508 0.01510 0.01539 0.01553 0.01641 0.01717 0.01825 0.01829 0.01836 0.01938 0.01983 0.01991 0.02046 0.02073 0.02132 0.02190 0.02375 0.02530 0.02787 0.03032 0.03201 0.03388 0.03517 0.03763 0.03841 0.03972 0.04064 0.04282 0.04406 0.04693 0.04968 0.05114 0.05596 0.05744 0.05954 0.06103 0.06140 0.06478 0.06716 0.11870 0.30275 0.30687 0.32680 0.34849 0.35933 0.36862 0.40442 0.41390 0.41556 0.42229 0.42446 0.43281 0.43610 0.44027 0.44298 0.44490 0.44744 0.45665 0.45948 0.46938 0.47206 0.47587 0.52271 0.52411 0.52534 0.52559 0.52647 0.52679 0.52724 0.52756 0.52800 Angle between quadratic step and forces= 73.98 degrees. 1 2 3 0.00162848 0.00000316 0.00000000 0.00000259 0.00000061 0.00000061 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 D132 D133 D134 3.28969 3.33488 1.85365 1.86301 1.86023 3.36344 1.86678 1.82390 1.84837 3.27673 1.82377 3.48060 1.86451 3.38880 3.30663 1.82345 3.32928 1.85480 2.86840 3.44563 1.87126 3.52515 1.82448 3.29181 1.82528 1.95294 1.94029 1.93083 2.90522 1.84822 1.85864 3.28837 1.86445 2.93991 3.30417 1.87190 1.82371 3.35375 3.49879 1.82406 1.86819 3.39994 1.87543 1.82601 3.19178 1.82487 1.86248 1.84972 1.84640 1.85703 1.85343 3.33203 2.03983 1.95752 1.66891 2.08861 1.80323 1.82631 1.83712 1.93646 1.97102 2.04273 1.85310 1.99149 2.35842 1.36779 1.66292 1.86218 1.76685 2.10329 1.80997 1.73038 2.02620 1.91228 1.96143 2.00534 1.65486 1.85063 2.03808 1.88860 1.86866 1.85062 1.81122 1.76291 1.73734 1.84375 1.93744 1.86152 1.85846 2.04273 1.66632 2.07182 2.12512 1.66709 2.03833 2.06458 1.70699 1.85439 2.06369 1.71722 1.82285 1.89723 1.84022 1.95898 2.00480 1.74039 2.02417 1.85376 1.84677 1.75703 1.92612 1.80119 2.90437 1.92187 2.04688 1.80174 1.87311 2.01474 1.80834 2.95343 2.98605 3.12927 3.00863 2.98226 3.02556 3.07291 3.10557 2.93412 2.97762 3.04104 3.10295 3.10977 3.02916 3.22617 3.07469 3.00763 3.02278 3.09908 3.13126 2.96039 2.99106 3.27143 3.22613 3.29731 3.06387 3.03007 3.12280 3.10675 3.15605 3.15896 3.22082 3.30900 3.11399 3.25836 3.28539 3.14967 3.29825 3.37601 3.09183 0.90039 2.95226 -2.80671 -0.75484 -0.94901 1.10287 -2.29200 -0.50780 1.49091 -3.00807 -0.52004 1.26416 0.07726 -2.15104 2.16176 2.67686 0.44856 -1.52182 -1.65346 2.40142 0.43103 -1.06617 1.02356 3.07694 3.13280 -1.06065 0.99273 0.92616 3.01589 -1.21391 0.98542 -1.91947 2.91221 -3.12727 0.25102 -1.20048 -1.95537 0.42119 2.55983 2.25388 -1.65275 0.48590 1.29372 3.07740 -0.79818 -2.00896 -0.22528 2.18233 -0.72288 1.06080 -2.81478 1.33499 -0.95673 -3.05641 -0.64828 -2.93999 1.24351 -3.01543 0.97604 -1.12365 1.78556 -0.63007 -2.58255 -0.43464 -2.85026 1.48044 1.45313 -2.53740 -0.52644 -0.56517 1.72748 -2.54474 -1.05537 0.90416 0.86122 2.82076 1.17383 -2.70062 -0.67152 -0.64141 1.76732 -2.48676 -0.27558 -2.03221 1.67509 -0.08153 -2.69088 1.83568 2.13139 0.25845 0.14219 -1.73075 -1.92480 2.48544 0.93741 -1.06369 2.93171 0.93061 0.38480 2.33465 -1.60281 0.34704 -2.07716 1.77580 0.09816 2.36777 -0.06245 -1.74009 0.77823 3.05030 -1.43912 2.82520 -1.18592 0.60785 -1.55375 0.44939 2.66231 2.42190 -1.85814 0.35478 0.14618 2.14933 -1.92093 0.96553 2.94189 -1.09237 -1.63267 2.47815 0.50117 2.66298 0.49061 -1.48637 -1.00761 0.98325 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -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 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 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 -0.00000 -0.00000 0.00000 0.00001 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 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00001 -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 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -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 0.00001 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 -0.00043 0.00091 0.00003 0.00005 0.00008 -0.00120 0.00007 0.00000 -0.00001 0.00033 0.00000 0.00032 0.00003 -0.00037 -0.00022 -0.00000 -0.00035 -0.00009 -0.00058 0.00113 0.00000 -0.00066 0.00000 -0.00003 0.00000 0.00015 -0.00009 -0.00011 0.00042 0.00005 -0.00007 -0.00041 -0.00001 0.00063 0.00006 0.00004 0.00000 -0.00014 -0.00035 0.00001 -0.00003 -0.00029 -0.00006 -0.00001 0.00052 -0.00000 -0.00000 0.00003 -0.00000 0.00003 0.00003 -0.00088 0.00010 -0.00147 0.00029 0.00125 -0.00017 -0.00007 -0.00000 -0.00023 0.00156 0.00133 0.00004 -0.00017 -0.00164 0.00064 0.00003 0.00005 0.00088 -0.00038 0.00008 0.00012 0.00011 -0.00059 0.00018 0.00037 -0.00023 0.00007 -0.00001 0.00017 0.00016 0.00003 -0.00001 0.00033 0.00019 -0.00002 -0.00020 -0.00116 0.00006 0.00037 0.00031 -0.00001 0.00093 -0.00158 -0.00052 0.00200 0.00069 0.00009 -0.00180 -0.00057 -0.00022 -0.00042 0.00012 -0.00245 -0.00101 0.00132 0.00201 0.00033 0.00006 0.00044 0.00089 0.00003 0.00083 -0.00090 -0.00005 0.00004 0.00019 -0.00012 0.00092 0.00098 0.00038 0.00040 -0.00010 -0.00002 0.00010 0.00029 -0.00002 0.00020 -0.00024 0.00032 -0.00011 -0.00008 0.00014 0.00029 -0.00024 -0.00038 -0.00054 0.00009 0.00018 0.00051 0.00003 0.00033 0.00001 0.00047 0.00007 -0.00011 -0.00010 0.00036 0.00022 -0.00033 0.00040 0.00030 -0.00012 -0.00002 0.00015 0.00007 -0.00085 0.00066 -0.00032 -0.00050 -0.00030 -0.00043 -0.00023 -0.00056 -0.00036 0.00052 0.00086 0.00115 0.00149 0.00075 0.00110 0.00027 0.00134 0.00239 0.00008 0.00115 0.00220 0.00012 0.00119 0.00224 -0.00039 -0.00162 -0.00076 -0.00052 -0.00175 -0.00089 -0.00192 -0.00314 -0.00228 0.00190 0.00319 0.00191 0.00282 0.00411 0.00283 -0.00106 0.00021 -0.00199 -0.00198 -0.00071 -0.00291 0.00023 -0.00026 0.00037 -0.00088 -0.00137 -0.00075 0.00041 -0.00008 0.00055 -0.00007 0.00069 0.00031 -0.00175 -0.00099 -0.00138 0.00002 0.00078 0.00039 -0.00196 -0.00097 -0.00149 -0.00223 -0.00124 -0.00176 0.00184 0.00135 0.00252 0.00138 0.00089 0.00207 0.00109 0.00133 0.00140 0.00164 0.00111 -0.00099 0.00030 0.00092 -0.00117 0.00012 -0.00015 -0.00045 -0.00086 -0.00115 -0.00099 -0.00128 0.00030 -0.00018 0.00028 -0.00020 0.00035 -0.00013 -0.00064 0.00015 -0.00044 0.00034 -0.00081 -0.00096 -0.00106 -0.00121 0.00027 -0.00031 0.00139 0.00021 -0.00038 0.00133 -0.00179 0.00007 0.00031 -0.00259 -0.00074 -0.00049 0.00154 -0.00061 0.00210 0.00097 -0.00118 0.00153 0.00110 -0.00105 0.00165 -0.00679 -0.00615 -0.00696 0.00134 0.00203 0.00078 0.00184 0.00253 0.00128 0.00569 0.00680 -0.00043 0.00091 0.00003 0.00005 0.00008 -0.00120 0.00007 0.00000 -0.00001 0.00033 0.00000 0.00032 0.00003 -0.00037 -0.00022 -0.00000 -0.00035 -0.00008 -0.00058 0.00113 0.00000 -0.00066 0.00000 -0.00003 0.00000 0.00015 -0.00009 -0.00011 0.00042 0.00005 -0.00007 -0.00041 -0.00001 0.00063 0.00006 0.00004 0.00000 -0.00014 -0.00035 0.00001 -0.00003 -0.00029 -0.00006 -0.00001 0.00052 -0.00000 0.00000 0.00003 -0.00000 0.00003 0.00003 -0.00088 0.00010 -0.00147 0.00029 0.00125 -0.00017 -0.00007 -0.00000 -0.00023 0.00156 0.00133 0.00004 -0.00017 -0.00164 0.00064 0.00003 0.00005 0.00088 -0.00038 0.00008 0.00012 0.00011 -0.00059 0.00018 0.00037 -0.00023 0.00007 -0.00001 0.00017 0.00016 0.00003 -0.00001 0.00033 0.00019 -0.00002 -0.00020 -0.00116 0.00006 0.00037 0.00031 -0.00001 0.00093 -0.00158 -0.00052 0.00200 0.00069 0.00008 -0.00180 -0.00057 -0.00022 -0.00042 0.00012 -0.00245 -0.00101 0.00132 0.00201 0.00033 0.00006 0.00044 0.00089 0.00003 0.00083 -0.00090 -0.00005 0.00004 0.00019 -0.00012 0.00092 0.00098 0.00038 0.00040 -0.00010 -0.00002 0.00010 0.00029 -0.00002 0.00020 -0.00024 0.00032 -0.00011 -0.00008 0.00014 0.00029 -0.00025 -0.00038 -0.00054 0.00008 0.00018 0.00051 0.00003 0.00033 0.00001 0.00048 0.00007 -0.00011 -0.00010 0.00036 0.00022 -0.00033 0.00041 0.00031 -0.00012 -0.00002 0.00015 0.00007 -0.00085 0.00066 -0.00032 -0.00050 -0.00030 -0.00043 -0.00023 -0.00056 -0.00036 0.00052 0.00086 0.00115 0.00149 0.00075 0.00110 0.00027 0.00134 0.00239 0.00008 0.00115 0.00220 0.00012 0.00119 0.00224 -0.00039 -0.00162 -0.00076 -0.00052 -0.00175 -0.00089 -0.00192 -0.00314 -0.00228 0.00190 0.00319 0.00191 0.00282 0.00412 0.00283 -0.00106 0.00021 -0.00199 -0.00198 -0.00071 -0.00291 0.00023 -0.00026 0.00037 -0.00088 -0.00137 -0.00075 0.00041 -0.00008 0.00055 -0.00007 0.00069 0.00031 -0.00175 -0.00099 -0.00138 0.00002 0.00078 0.00039 -0.00196 -0.00097 -0.00149 -0.00223 -0.00124 -0.00176 0.00184 0.00135 0.00252 0.00138 0.00089 0.00206 0.00109 0.00133 0.00140 0.00164 0.00111 -0.00099 0.00030 0.00092 -0.00118 0.00012 -0.00015 -0.00045 -0.00086 -0.00115 -0.00099 -0.00128 0.00030 -0.00018 0.00028 -0.00020 0.00035 -0.00013 -0.00064 0.00015 -0.00044 0.00034 -0.00081 -0.00096 -0.00106 -0.00121 0.00027 -0.00031 0.00139 0.00021 -0.00038 0.00133 -0.00179 0.00006 0.00031 -0.00259 -0.00074 -0.00049 0.00154 -0.00061 0.00210 0.00097 -0.00118 0.00153 0.00110 -0.00105 0.00165 -0.00679 -0.00615 -0.00696 0.00134 0.00203 0.00078 0.00184 0.00253 0.00128 0.00569 0.00680 3.28925 3.33580 1.85367 1.86307 1.86032 3.36223 1.86685 1.82391 1.84836 3.27706 1.82377 3.48093 1.86454 3.38843 3.30641 1.82344 3.32892 1.85472 2.86782 3.44677 1.87127 3.52449 1.82448 3.29178 1.82529 1.95309 1.94020 1.93072 2.90564 1.84827 1.85857 3.28796 1.86444 2.94054 3.30423 1.87194 1.82372 3.35362 3.49844 1.82406 1.86816 3.39966 1.87538 1.82600 3.19231 1.82487 1.86248 1.84975 1.84640 1.85706 1.85345 3.33115 2.03993 1.95606 1.66920 2.08986 1.80307 1.82624 1.83712 1.93623 1.97258 2.04406 1.85315 1.99132 2.35677 1.36842 1.66295 1.86223 1.76773 2.10291 1.81005 1.73050 2.02631 1.91169 1.96160 2.00571 1.65462 1.85070 2.03807 1.88877 1.86882 1.85065 1.81121 1.76323 1.73753 1.84373 1.93724 1.86035 1.85852 2.04310 1.66663 2.07181 2.12605 1.66551 2.03781 2.06658 1.70768 1.85448 2.06189 1.71666 1.82263 1.89681 1.84034 1.95653 2.00379 1.74171 2.02618 1.85409 1.84684 1.75747 1.92701 1.80122 2.90519 1.92098 2.04683 1.80178 1.87330 2.01462 1.80926 2.95441 2.98643 3.12967 3.00852 2.98224 3.02566 3.07320 3.10554 2.93433 2.97738 3.04136 3.10284 3.10969 3.02929 3.22646 3.07444 3.00725 3.02224 3.09917 3.13144 2.96089 2.99109 3.27176 3.22613 3.29778 3.06394 3.02996 3.12270 3.10712 3.15628 3.15863 3.22123 3.30930 3.11387 3.25834 3.28554 3.14974 3.29740 3.37667 3.09151 0.89989 2.95197 -2.80715 -0.75507 -0.94957 1.10251 -2.29148 -0.50694 1.49206 -3.00658 -0.51929 1.26526 0.07753 -2.14970 2.16415 2.67694 0.44971 -1.51963 -1.65334 2.40261 0.43328 -1.06656 1.02194 3.07618 3.13228 -1.06240 0.99184 0.92425 3.01275 -1.21619 0.98732 -1.91628 2.91412 -3.12445 0.25514 -1.19765 -1.95643 0.42140 2.55785 2.25189 -1.65346 0.48298 1.29395 3.07715 -0.79781 -2.00984 -0.22664 2.18158 -0.72247 1.06073 -2.81423 1.33492 -0.95604 -3.05611 -0.65003 -2.94099 1.24213 -3.01542 0.97681 -1.12325 1.78360 -0.63104 -2.58404 -0.43686 -2.85150 1.47868 1.45497 -2.53606 -0.52392 -0.56379 1.72837 -2.54268 -1.05429 0.90549 0.86263 2.82240 1.17493 -2.70162 -0.67122 -0.64048 1.76615 -2.48664 -0.27573 -2.03265 1.67423 -0.08269 -2.69187 1.83439 2.13169 0.25827 0.14246 -1.73096 -1.92445 2.48531 0.93678 -1.06355 2.93127 0.93095 0.38399 2.33369 -1.60387 0.34583 -2.07689 1.77549 0.09955 2.36798 -0.06283 -1.73876 0.77644 3.05037 -1.43881 2.82261 -1.18665 0.60736 -1.55221 0.44878 2.66441 2.42286 -1.85932 0.35630 0.14728 2.14828 -1.91928 0.95874 2.93574 -1.09933 -1.63132 2.48018 0.50194 2.66482 0.49314 -1.48509 -1.00193 0.99005 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000005 0.010637 0.001631 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.451159e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1468.5959664051 46 46 46 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) -0.0490741937 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 4.281513 0.000000 1.740826 3.870993 0.000000 3.941433 6.408852 5.178532 0.000000 4.777248 7.328401 6.078910 0.965169 0.000000 4.087539 5.243354 5.485199 2.814557 3.250600 0.000000 5.007268 5.628812 6.323467 3.355625 3.645472 0.965099 0.000000 3.768217 5.932256 5.139958 0.978113 1.544402 1.841856 2.437223 0.000000 3.976290 5.033612 5.411956 3.594949 4.053273 0.986658 1.560588 2.634703 0.000000 4.540347 0.984394 4.439648 6.071064 6.946585 4.669899 4.922358 5.519099 4.511820 0.000000 5.363894 1.563923 5.128359 6.589566 7.449440 5.282332 5.411314 6.083913 5.227037 0.964926 0.000000 2.714027 3.820825 0.987859 5.895062 6.814654 6.244735 7.028059 5.901889 6.203418 4.515120 5.074125 0.000000 3.048179 2.991522 1.548752 6.255815 7.203450 6.200338 6.920360 6.130242 6.079711 3.787568 4.331955 0.981518 0.000000 4.142731 4.878148 5.465346 5.099242 5.607793 2.728638 3.185472 4.202349 1.749795 4.525824 5.366261 6.249279 5.985281 0.000000 4.289124 4.145254 5.352113 5.586585 6.191860 3.171531 3.533421 4.701525 2.280977 3.783151 4.611094 6.024789 5.615335 0.990230 0.000000 4.345028 7.426277 3.964498 5.384845 5.941621 7.356009 8.169958 6.005126 7.685983 7.799245 8.297130 4.109837 5.066616 8.339622 8.557977 0.000000 3.801134 4.967630 2.840674 5.112975 5.959462 6.358652 7.019927 5.463342 6.703637 5.334760 5.616010 2.546366 3.138212 7.372302 7.268557 3.081350 0.000000 3.210335 4.321351 1.938146 5.337996 6.237887 6.208039 6.925066 5.539183 6.404196 4.823333 5.209069 1.517893 2.139605 6.842972 6.682739 3.373921 1.033449 0.000000 3.769350 4.625862 3.160358 4.460508 5.319979 5.649242 6.229915 4.778296 6.083526 4.816534 5.044965 3.042826 3.442985 6.917868 6.812272 3.695789 1.026758 1.668953 0.000000 2.739752 4.899800 3.825531 5.647276 6.298172 4.515231 5.339052 5.091643 3.820462 5.105563 6.069916 4.656352 4.573988 2.829288 3.027275 6.841644 6.416015 5.662495 6.361365 0.000000 3.087062 4.836654 4.351941 5.342157 5.947372 3.802717 4.555905 4.656337 3.004560 4.855310 5.808491 5.192040 5.041632 1.865429 2.184162 7.330415 6.731934 6.053794 6.528994 0.978038 0.000000 1.764744 4.599117 2.986995 4.924947 5.633943 4.195697 5.091699 4.476702 3.683521 4.831092 5.775268 3.887465 3.935394 3.137210 3.348362 5.893029 5.491246 4.779600 5.450541 0.983552 1.543388 0.000000 4.065549 6.971958 3.827630 4.612259 5.193291 6.676485 7.440898 5.269448 7.092290 7.248784 7.705215 4.020086 4.909525 7.898238 8.109845 0.965897 2.575092 3.053008 2.979878 6.704602 7.079545 5.728239 0.000000 3.451171 6.774411 3.626013 3.835119 4.399882 5.908132 6.705248 4.472949 6.307805 6.982266 7.521148 4.054655 4.905497 7.133143 7.428728 1.555694 2.988872 3.297752 3.188048 6.015319 6.339589 5.047600 0.986623 0.000000 3.723021 5.727083 3.018480 4.807936 5.576802 6.411050 7.128258 5.288824 6.787764 6.061938 6.428368 2.946171 3.726341 7.515788 7.542084 2.104904 1.021752 1.652810 1.636370 6.428910 6.781611 5.462886 1.555732 2.067287 0.000000 3.970547 3.385902 3.988442 7.264798 8.086161 5.837587 6.470808 6.683702 5.159642 3.894092 4.747651 4.327191 3.716863 4.018330 3.455511 7.860655 6.525805 5.596435 6.521339 2.721763 3.019530 3.026299 7.717861 7.302004 6.919508 0.000000 3.361276 3.859207 3.724231 6.664412 7.439829 5.324237 6.036905 6.089754 4.621481 4.263584 5.189373 4.266781 3.852916 3.468080 3.127735 7.402459 6.391302 5.497654 6.383646 1.740130 2.152790 2.136085 7.273297 6.764101 6.649631 0.990567 0.000000 4.739825 4.184770 4.669000 8.153257 8.956630 6.712550 7.340668 7.575473 5.983959 4.738344 5.539697 4.944593 4.345959 4.693883 4.155646 8.484468 7.280506 6.311753 7.355693 3.210586 3.599694 3.661659 8.424259 8.027648 7.657580 0.965068 1.566852 0.000000 2.767941 6.596993 3.771905 2.718357 3.225106 4.617814 5.467677 3.213492 4.959971 6.663932 7.330999 4.530774 5.219901 5.807738 6.272614 3.160335 4.108656 4.166659 4.021450 4.930616 5.111930 4.034476 2.731835 1.748491 3.432877 6.713990 6.019048 7.458955 0.000000 3.377531 7.413773 4.481048 3.182882 3.454268 5.059549 5.908484 3.666734 5.347840 7.480245 8.187499 5.276262 5.987620 6.124356 6.698473 3.553029 4.991741 5.025249 4.965472 5.154568 5.355636 4.344795 3.307154 2.347383 4.245016 7.205642 6.428041 7.889866 0.965249 0.000000 3.025294 6.467384 4.196762 1.733971 2.266063 3.867746 4.652174 2.298911 4.348371 6.389142 7.017268 4.961615 5.531940 5.438367 5.931879 3.914933 4.364601 4.502016 4.039386 5.071972 5.064644 4.220397 3.305610 2.381825 3.816590 6.850622 6.173741 7.660402 0.988602 1.563029 0.000000 4.168192 4.514957 4.068596 3.747961 4.575797 4.755159 5.158737 3.975272 5.341778 4.382354 4.508795 4.149215 4.324149 6.438915 6.340838 4.856070 2.563625 3.041230 1.537374 6.536707 6.472646 5.693632 3.995956 3.953054 2.996461 6.781583 6.637823 7.698437 4.308760 5.254517 3.961138 0.000000 3.518003 3.870167 3.674089 3.323061 4.223375 3.877065 4.324991 3.334619 4.397974 3.662704 3.932851 3.919429 3.989675 5.454138 5.351522 5.118315 2.961378 3.136207 2.027181 5.689163 5.556658 4.895662 4.304066 4.062476 3.370897 5.987965 5.812939 6.927461 4.046836 4.981127 3.633524 0.992437 0.000000 4.462937 5.373088 4.604296 3.203648 3.923639 4.705311 5.083282 3.618288 5.415256 5.174559 5.331784 4.796427 5.092278 6.690842 6.721987 4.737965 3.010687 3.630612 2.061542 6.880159 6.779811 6.013437 3.802664 3.694089 3.151259 7.442678 7.197194 8.367345 4.001025 4.892226 3.543971 0.966282 1.558571 0.000000 3.980501 1.779855 3.048936 7.039849 7.987404 6.239956 6.819824 6.681361 5.944715 2.743785 3.283104 2.789087 1.823350 5.536523 4.904020 6.835478 4.680219 3.786402 4.716084 4.575652 4.865819 4.256856 6.601261 6.494883 5.381095 2.752415 3.308356 3.361400 6.510422 7.265907 6.648443 5.158526 4.635025 6.018460 0.000000 4.887151 2.354982 3.803598 7.981365 8.933205 7.165601 7.710150 7.634544 6.852477 3.327285 3.680378 3.370987 2.408235 6.360167 5.667076 7.467540 5.255601 4.367758 5.370464 5.351514 5.679035 5.105585 7.289063 7.267191 6.010673 3.215483 3.928116 3.606095 7.395420 8.148195 7.570080 5.882760 5.442646 6.780281 0.965681 0.000000 3.793019 2.175179 3.159983 7.071822 7.988115 6.045209 6.660693 6.630895 5.609530 3.008150 3.718340 3.148175 2.302061 4.948841 4.321780 7.105579 5.272120 4.334952 5.308760 3.822319 4.142550 3.666868 6.916745 6.693775 5.850536 1.774729 2.393593 2.392979 6.492803 7.161871 6.646093 5.702302 5.060540 6.494118 0.985584 1.556469 0.000000 4.861167 3.086250 5.391072 6.677783 7.406633 4.430828 4.693699 5.865345 3.726756 2.806836 3.552007 5.816265 5.158527 2.726108 1.741950 9.024861 7.261848 6.584213 6.849705 3.817893 3.298625 4.105770 8.595728 8.073572 7.743668 2.812319 3.026863 3.472483 7.222498 7.786822 6.961520 6.464755 5.536446 7.055615 3.948102 4.522286 3.411910 0.000000 4.511391 2.981706 4.891309 6.901129 7.672729 4.902886 5.317297 6.154878 4.175895 3.020989 3.844689 5.292058 4.618916 3.021079 2.150330 8.672789 7.021390 6.243644 6.742880 3.294222 2.999052 3.634592 8.336880 7.844910 7.487114 1.851479 2.181528 2.498073 7.067393 7.611598 6.940424 6.579956 5.680940 7.211978 3.387535 3.930174 2.685042 0.978830 0.000000 4.688889 2.275682 5.051913 6.358277 7.139680 4.289594 4.523580 5.602235 3.770977 1.854796 2.584213 5.382648 4.687737 3.199577 2.274490 8.636050 6.625308 6.003824 6.157119 4.224477 3.771894 4.295692 8.150561 7.699083 7.187111 3.105616 3.400769 3.880053 6.996957 7.656639 6.704278 5.713078 4.823783 6.359066 3.468994 4.066257 3.163302 0.977075 1.532838 0.000000 2.748367 3.043970 3.368420 3.372461 4.287135 2.757734 3.330537 2.934388 2.989032 2.738798 3.346738 3.867665 3.728677 3.811608 3.667695 5.827161 3.989203 3.737275 3.304498 4.276943 4.011653 3.631908 5.153160 4.681777 4.348472 4.634957 4.403764 5.596908 4.123237 4.945888 3.705702 2.675266 1.689019 3.129296 3.936391 4.849198 4.073435 3.965224 4.137581 3.374659 0.000000 3.297155 2.179121 3.631129 4.317097 5.208136 3.262062 3.686505 3.808895 3.319137 1.761778 2.400219 3.979095 3.596823 3.842311 3.447318 6.526604 4.383099 4.018855 3.734893 4.432962 4.145133 3.927986 5.893017 5.504129 4.912745 4.229499 4.196159 5.187256 5.039860 5.860304 4.674722 3.137598 2.227133 3.766788 3.374677 4.229640 3.553290 3.333952 3.552401 2.597069 0.982698 0.000000 0.980907 5.114947 2.297981 3.386867 4.153980 4.146391 5.081447 3.412259 4.197542 5.301626 6.074482 3.222453 3.754181 4.631521 4.933036 3.735793 3.751977 3.379133 3.721875 3.371959 3.670665 2.406276 3.428084 2.673659 3.428457 4.926219 4.260111 5.670926 1.799172 2.410855 2.175634 4.123776 3.591695 4.214467 4.878674 5.775380 4.754711 5.691029 5.412461 5.510601 3.130462 3.871654 0.000000 3.137288 3.710595 4.122446 2.957946 3.774133 1.793275 2.358149 2.297045 2.124820 3.230684 3.838660 4.733300 4.620139 3.254838 3.265112 6.367599 4.823360 4.628915 4.098904 4.271282 3.811882 3.732461 5.669473 5.074684 5.065348 4.976511 4.642544 5.928492 4.216332 4.933012 3.631524 3.279690 2.309363 3.512906 4.717630 5.637481 4.718478 3.909411 4.238334 3.449418 0.980791 1.581632 3.401304 0.000000 0.985864 3.648570 2.082938 3.513926 4.419221 3.406138 4.266198 3.232164 3.384780 3.758422 4.550515 2.907229 3.045716 3.776051 3.829716 4.774280 3.667801 3.170434 3.389190 3.078342 3.155805 2.210832 4.315461 3.734441 3.762934 3.990106 3.507753 4.870109 3.059481 3.797900 3.021301 3.483402 2.706508 3.837402 3.737937 4.691514 3.657755 4.341614 4.154309 4.036237 1.763237 2.358628 1.556578 2.210167 0.000000 5.039821 5.688925 6.389536 5.773452 6.171005 3.295546 3.574502 4.851295 2.327311 5.297864 6.096927 7.179951 6.902086 0.965474 1.562308 9.211609 8.332673 7.804250 7.869989 3.421928 2.456534 3.892604 8.782794 7.985898 8.456544 4.614193 4.081500 5.165891 6.578173 6.806860 6.187083 7.345105 6.360574 7.561054 6.364572 7.143244 5.721808 3.177868 3.534517 3.800523 4.733124 4.737005 5.486356 4.109778 4.723325 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.482,-.0445,-1.3662;1.8757,-1.8649,1.7093;-.7681,-1.7432,-1.1156;-2.1865,2.953,.5429;-2.5523,3.844,.4819;.5933,3.1596,.9329;.8808,3.6753,1.6963;-1.2187,3.0762,.6131;1.4057,2.974,.4047;2,-1.081,2.2916;1.9811,-1.405,3.2004;-.9245,-2.6544,-.7674;-.0841,-2.8767,-.3118;2.7679,2.3814,-.52;3.2182,1.6556,-.0191;-4.6397,-1.2305,-1.7973;-2.9705,-2.0986,.6429;-2.115,-2.3685,.1298;-2.713,-1.4019,1.3519;1.9152,.5858,-2.5334;2.2424,1.2898,-1.9386;1.0093,.399,-2.1992;-4.4645,-.7603,-.972;-3.9294,.0293,-1.2241;-3.578,-1.6145,-.0208;3.2049,-1.5182,-1.3855;2.7497,-.8019,-1.8962;3.8118,-1.9491,-1.9997;-2.855,1.367,-1.5611;-3.0628,1.908,-2.333;-2.6482,1.9978,-.8286;-2.3148,-.3185,2.3673;-1.4695,.0581,2.0088;-2.9575,.4015,2.3203;1.6183,-2.9665,.3353;1.9796,-3.8542,.4533;2.1917,-2.5304,-.3373;3.9081,.2285,.7034;3.8117,-.4112,-.0312;3.3107,-.1279,1.3895;-.0051,.491,1.287;.7348,-.0083,1.698;-1.3096,.4457,-1.5584;.2398,1.4406,1.3014;-.2844,.1605,-.4223;3.4494,3.0392,-.7068; 0.3417022 0.2296589 0.1933725 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= 516 RedAO= T EigKep= 9.66D-05 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 531 530 530 531 531 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.67201435364 -1147.67201435 1 1.143722204773e+03 -5.631070861661e+03 1.871112961440e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14059 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=8971287276. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 133386 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 3.31D-14 1.00D-09 XBig12= 6.32D+01 1.43D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 3.31D-14 1.00D-09 XBig12= 1.68D+00 1.49D-01. 138 vectors produced by pass 2 Test12= 3.31D-14 1.00D-09 XBig12= 1.58D-02 1.22D-02. 138 vectors produced by pass 3 Test12= 3.31D-14 1.00D-09 XBig12= 4.35D-05 3.80D-04. 138 vectors produced by pass 4 Test12= 3.31D-14 1.00D-09 XBig12= 6.36D-08 1.80D-05. 78 vectors produced by pass 5 Test12= 3.31D-14 1.00D-09 XBig12= 6.17D-11 3.74D-07. 3 vectors produced by pass 6 Test12= 3.31D-14 1.00D-09 XBig12= 4.04D-14 1.95D-08. 1 vectors produced by pass 7 Test12= 3.31D-14 1.00D-09 XBig12= 4.64D-17 1.09D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 772 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 165.93 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 167.652 -1.131 167.549 0.811 0.703 162.593 154.477 -1.183 156.320 0.782 0.494 151.647 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT19119S Tue Nov 5 18:10:14 2024 -19.17208 -19.13652 -19.13480 -19.13407 -19.13363 -19.13329 -19.13220 -19.13161 -19.13070 -19.13052 -19.12391 -19.12345 -19.12027 -19.11772 -19.11353 -1.07689 -1.03479 -1.03127 -1.02863 -1.02542 -1.02231 -1.02061 -1.01864 -1.01656 -1.01357 -1.00837 -1.00466 -1.00128 -0.99815 -0.99182 -0.57208 -0.56875 -0.55330 -0.54721 -0.54599 -0.54423 -0.54279 -0.54269 -0.54030 -0.53907 -0.53629 -0.53390 -0.52900 -0.52711 -0.52246 -0.52086 -0.44742 -0.44100 -0.43933 -0.43707 -0.42415 -0.41982 -0.41617 -0.40638 -0.40535 -0.39928 -0.39399 -0.38922 -0.38581 -0.38257 -0.36868 -0.33906 -0.33706 -0.33632 -0.33412 -0.33225 -0.33138 -0.33045 -0.32853 -0.32754 -0.32687 -0.32524 -0.31968 -0.31889 -0.31693 -0.00493 0.01912 0.02852 0.03886 0.05248 0.05758 0.06236 0.06865 0.07584 0.08972 0.09422 0.09673 0.10461 0.11070 0.11403 0.11601 0.11977 0.12790 0.12949 0.13774 0.14233 0.14565 0.14838 0.14972 0.15412 0.16232 0.16725 0.17228 0.17300 0.17374 0.18113 0.18565 0.18813 0.19205 0.19552 0.20048 0.20380 0.20909 0.21244 0.21367 0.21704 0.22016 0.22646 0.23077 0.23533 0.23709 0.24298 0.24957 0.25468 0.25588 0.25877 0.25965 0.26562 0.26927 0.27270 0.27451 0.27791 0.27895 0.28048 0.28276 0.29073 0.29499 0.29539 0.29703 0.29913 0.30442 0.30635 0.31198 0.31392 0.31790 0.32798 0.33273 0.33543 0.34796 0.36202 0.39087 0.39228 0.40212 0.42132 0.42456 0.42849 0.43920 0.45258 0.45594 0.45723 0.46814 0.47228 0.47842 0.49821 0.50225 0.51070 0.52347 0.52615 0.53157 0.53861 0.54245 0.54762 0.55617 0.55899 0.56071 0.56585 0.57729 0.58247 0.59011 0.59891 0.60328 0.60586 0.61075 0.62244 0.62677 0.63935 0.64790 0.65300 0.66373 0.67254 0.68045 0.68343 0.69959 0.70431 0.71314 0.72795 0.75505 0.94311 0.94469 0.95273 0.96219 0.96567 0.97318 0.97756 0.98031 0.98739 0.99152 1.00202 1.00608 1.01159 1.01647 1.02264 1.02507 1.03151 1.04442 1.04826 1.05115 1.05648 1.06390 1.07095 1.07877 1.08018 1.08719 1.09429 1.09806 1.10145 1.10354 1.10806 1.11345 1.11733 1.12445 1.13119 1.13745 1.14419 1.14692 1.15767 1.15955 1.16724 1.18132 1.18605 1.20265 1.21405 1.21700 1.24055 1.24288 1.25328 1.26168 1.27319 1.28135 1.29105 1.29877 1.30496 1.31435 1.31845 1.32557 1.33844 1.34060 1.34870 1.35001 1.35598 1.35676 1.35920 1.37766 1.38865 1.39396 1.40170 1.41578 1.42084 1.42468 1.43194 1.43770 1.45957 1.46693 1.47385 1.47704 1.48483 1.49429 1.51152 1.52201 1.52775 1.53656 1.53886 1.54837 1.55403 1.55545 1.57651 1.58218 1.58939 1.60000 1.60233 1.61207 1.61646 1.62474 1.62707 1.64514 1.65022 1.65423 1.65718 1.66524 1.67190 1.69321 1.69856 1.71834 1.72376 1.73480 1.74898 1.76206 1.76738 1.79139 1.79622 1.80176 1.82080 1.83247 1.84161 1.84467 1.86317 1.88658 1.91780 2.01519 2.02868 2.02965 2.03256 2.04007 2.04134 2.04773 2.05139 2.05598 2.19133 2.21516 2.24210 2.25194 2.26047 2.26858 2.28314 2.29122 2.30889 2.32171 2.33016 2.34639 2.34800 2.35926 2.37843 2.38748 2.40394 2.41067 2.42473 2.44238 2.47202 2.49238 2.51626 2.55716 2.56147 2.56431 2.57938 2.58676 2.60366 2.60973 2.62929 2.64186 2.68230 2.69145 2.70178 2.70968 2.71072 2.72825 2.73430 2.73532 2.75399 2.76112 2.77327 2.78507 2.79724 2.80368 2.82189 2.82831 2.84220 2.84539 2.86059 2.88810 2.90458 2.93762 3.07423 3.07701 3.08467 3.08641 3.09623 3.10181 3.10495 3.10597 3.10855 3.11636 3.12189 3.12923 3.13288 3.13558 3.14040 3.14425 3.14702 3.14960 3.15310 3.15576 3.15878 3.16193 3.17765 3.18440 3.19598 3.20396 3.21456 3.21554 3.28369 3.28942 3.29326 3.30007 3.30741 3.30963 3.31055 3.31549 3.32505 3.32655 3.32797 3.33434 3.34257 3.34933 3.37571 3.39333 3.52433 3.67830 3.68360 3.69253 3.70537 3.71064 3.71372 3.71834 3.72601 3.72690 3.73574 3.74183 3.76194 3.77366 3.78865 3.86912 3.88302 3.90335 3.90672 3.91955 3.92353 3.92627 3.92975 3.93676 3.93972 3.94407 3.95283 3.96421 3.98027 3.99461 4.02178 4.96143 4.98362 4.99919 5.00174 5.02226 5.02974 5.03961 5.05302 5.05399 5.06680 5.06951 5.07841 5.14821 5.16323 5.20603 5.36586 5.37380 5.39618 5.41703 5.43040 5.44465 5.44994 5.45635 5.46930 5.47348 5.49143 5.50253 5.52808 5.55355 5.64471 5.65750 5.65895 5.66259 5.66314 5.67090 5.67340 5.67711 5.68909 5.69588 5.70974 5.72699 5.73279 5.75615 5.77223 5.78436 49.85924 49.88578 49.88864 49.89564 49.90223 49.90869 49.91770 49.91970 49.92864 49.93727 49.93992 49.94699 49.96690 49.97904 49.98913 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 46 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 H -0.798606 0.394538 0.364778 -0.758228 0.350098 -0.780570 0.336698 0.426731 0.435345 -0.762266 0.358889 -0.759603 0.401536 -0.751710 0.413239 0.322848 -0.647896 0.487054 0.496656 -0.783561 0.378974 0.400727 -0.721571 0.426644 0.480243 -0.770969 0.421636 0.349401 -0.757114 0.343113 0.424279 -0.701428 0.407448 0.314468 -0.723246 0.342145 0.407684 -0.718511 0.363741 0.365831 -0.833536 0.460825 0.438864 0.421130 0.389854 0.343400 1.00000 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 0.030112 0.018601 -0.008528 -0.008839 0.006711 0.004929 0.816058 -0.003860 0.027920 0.000067 0.010278 0.020488 0.026583 0.011061 0.048419 1.00000 -1.11328262e-01 1.39769368e+00 5.06264796e-01 1.67652196e+02 -1.13064009e+00 1.67548737e+02 8.11327718e-01 7.03398587e-01 1.62593257e+02 -10.5438 -0.0013 -0.0012 -0.0004 4.4095 10.7719 29.2444 31.7227 37.1589 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 29.1501 31.4472 37.0880 38.8579 42.4658 46.8471 52.1303 58.7092 63.0522 68.2778 70.7249 73.5152 78.0996 80.9137 92.0839 98.7032 114.2334 144.0832 152.7814 166.5949 173.5588 174.9480 186.3074 189.5736 191.9929 203.6397 217.4554 221.9981 223.8250 229.2645 237.5234 245.8082 248.3416 254.8785 256.4284 260.6459 261.3344 272.8764 277.6742 278.8849 294.1124 298.4236 304.2733 312.5771 318.3528 330.5842 336.1067 366.7424 399.4646 414.9862 442.6882 453.9552 464.0911 475.0353 509.3330 512.1852 531.7571 535.8412 562.7547 573.8553 579.9273 625.8976 633.0340 636.2077 659.9912 668.3034 678.4524 691.7165 698.9022 707.6120 725.8005 729.5241 765.5453 779.4901 780.5128 796.3748 829.8047 833.0187 864.1091 894.2429 912.1709 918.3234 958.1016 1029.7891 1362.8078 1595.9743 1597.8193 1603.9303 1611.6785 1617.2926 1619.6395 1626.9653 1628.3233 1635.3507 1643.6825 1647.9163 1655.3760 1667.8411 1682.7032 1729.0986 1756.0250 2443.6157 2578.3368 2778.5132 3235.7289 3256.2399 3272.7259 3301.4542 3318.9892 3356.9893 3366.6225 3373.3437 3380.3773 3411.4178 3431.9118 3461.5493 3485.5266 3491.3074 3503.9926 3534.8467 3551.5294 3559.3269 3577.3433 3813.0901 3818.9125 3824.3918 3825.0614 3828.4609 3830.7474 3831.9932 3833.1584 3833.6857 5.1570 5.4124 5.4171 6.0123 6.0242 6.1043 5.4210 5.8695 5.9943 5.7769 6.3051 5.5024 5.6506 6.1820 6.0327 7.1295 5.9586 5.2186 5.3292 4.9220 3.6191 3.7508 4.6112 4.7282 3.3074 4.6618 3.8235 2.4926 1.6708 3.0555 2.0297 1.8020 2.2068 1.9945 2.1797 4.5451 3.9103 1.9659 2.1323 3.0559 2.1418 3.1613 2.2001 1.9756 1.6087 1.7867 2.9318 1.1360 1.0962 1.0875 1.0819 1.0780 1.0810 1.0512 1.0762 1.0728 1.0810 1.0634 1.0346 1.0371 1.0380 1.0491 1.0371 1.0388 1.0401 1.0491 1.0583 1.0572 1.0530 1.0505 1.0337 1.0500 1.0399 1.0479 1.0641 1.0384 1.0489 1.0541 1.0354 1.0413 1.0291 1.0368 1.0469 1.0502 1.0929 1.0773 1.0767 1.0747 1.0751 1.0704 1.0730 1.0717 1.0716 1.0684 1.0699 1.0704 1.0723 1.0658 1.0685 1.0370 1.0398 1.1228 1.1124 1.0357 1.0669 1.0664 1.0667 1.0658 1.0641 1.0661 1.0666 1.0636 1.0660 1.0652 1.0655 1.0683 1.0717 1.0657 1.0650 1.0572 1.0685 1.0619 1.0745 1.0660 1.0667 1.0668 1.0664 1.0669 1.0679 1.0677 1.0677 1.0666 0.0026 0.0032 0.0044 0.0053 0.0064 0.0079 0.0087 0.0119 0.0140 0.0159 0.0186 0.0175 0.0203 0.0238 0.0301 0.0409 0.0458 0.0638 0.0733 0.0805 0.0642 0.0676 0.0943 0.1001 0.0718 0.1139 0.1065 0.0724 0.0493 0.0946 0.0675 0.0641 0.0802 0.0763 0.0844 0.1819 0.1573 0.0862 0.0969 0.1400 0.1092 0.1659 0.1200 0.1137 0.0961 0.1150 0.1951 0.0900 0.1031 0.1103 0.1249 0.1309 0.1372 0.1398 0.1645 0.1658 0.1801 0.1799 0.1930 0.2012 0.2057 0.2421 0.2449 0.2477 0.2669 0.2761 0.2870 0.2980 0.3031 0.3099 0.3208 0.3293 0.3591 0.3751 0.3820 0.3880 0.4255 0.4310 0.4555 0.4906 0.5045 0.5152 0.5662 0.6561 1.1959 1.6167 1.6196 1.6290 1.6454 1.6496 1.6583 1.6715 1.6741 1.6835 1.7030 1.7127 1.7313 1.7467 1.7826 1.8268 1.8891 3.9501 4.3572 4.7110 6.5815 6.6617 6.7318 6.8442 6.9065 7.0783 7.1223 7.1312 7.1767 7.3039 7.3938 7.5422 7.6712 7.6537 7.7040 7.7827 7.9403 7.9260 8.1020 9.1319 9.1661 9.1931 9.1927 9.2134 9.2332 9.2375 9.2430 9.2361 4.1771 10.3439 5.2310 5.1984 1.3135 3.4536 4.5553 0.2267 2.8443 2.3844 0.0567 4.6292 3.8675 6.7062 3.7887 0.0799 5.6281 6.0527 12.1472 64.1458 38.6565 23.0745 9.1426 42.4879 31.2634 20.2387 27.5776 87.8888 74.1852 6.8153 9.1922 162.4869 180.7791 37.4934 45.3745 60.3857 84.0515 167.6013 84.1627 89.3656 79.9107 32.9100 95.2635 7.6876 169.0704 180.3419 126.9119 105.8926 319.4004 17.8322 50.9108 84.4262 146.2845 176.6482 294.4982 159.8125 143.4842 62.1425 111.7838 48.8698 172.6545 28.5310 13.5282 163.2403 23.8919 203.8565 233.7159 486.9819 107.4372 220.3660 117.9799 352.9154 32.5715 587.3736 423.7532 4.0338 265.2725 294.0788 60.4678 260.1466 20.1250 6.9571 277.0242 333.7317 541.2185 213.5666 174.9514 188.7515 154.0768 18.5764 19.6690 108.7484 101.0897 105.2043 93.5556 232.0068 116.1820 11.7413 161.0349 29.0467 63.0542 3537.3540 3299.7461 1442.9542 1868.0562 317.0286 2344.3947 2125.5663 648.0323 602.8002 669.8165 2752.0206 1278.5455 1010.2891 1600.6205 307.5542 1309.7078 697.6963 294.2708 846.5818 715.9079 367.9696 886.2672 140.8982 134.7241 117.8142 120.4268 98.9644 165.3732 172.4497 154.1339 132.7813 -0.01 -0.01 0.01 0.06 0.02 0.10 0.01 -0.01 -0.00 -0.04 -0.14 0.28 -0.11 -0.16 0.43 -0.01 0.01 0.02 0.05 -0.02 0.01 -0.04 -0.07 0.21 -0.04 0.01 -0.04 0.08 0.05 0.06 0.10 0.10 0.07 0.02 -0.01 0.00 0.00 0.01 0.04 -0.10 0.00 -0.14 -0.08 0.03 -0.12 0.20 0.02 -0.21 -0.02 0.04 -0.07 -0.01 0.01 -0.04 -0.02 0.05 -0.08 -0.02 -0.12 -0.06 -0.02 -0.09 -0.10 -0.02 -0.10 -0.05 0.08 0.02 -0.18 0.07 0.05 -0.10 0.02 0.04 -0.10 -0.02 -0.07 0.05 -0.02 -0.09 0.01 -0.02 -0.10 0.08 0.05 0.11 0.06 0.06 0.20 0.13 0.02 0.02 0.15 -0.01 0.05 -0.09 0.02 0.01 -0.06 0.02 0.08 -0.13 -0.03 0.01 0.11 -0.05 -0.00 0.12 -0.03 -0.02 0.10 -0.04 0.08 -0.06 -0.03 0.04 -0.03 0.01 0.09 -0.03 0.06 -0.02 0.00 0.06 -0.00 0.02 0.01 0.03 0.02 0.04 -0.01 0.01 0.03 -0.01 0.00 -0.12 0.01 -0.16 -0.01 0.01 0.07 0.03 -0.03 -0.05 0.02 0.01 0.09 0.03 0.01 0.02 0.06 0.02 -0.03 0.05 -0.01 0.03 0.04 0.00 0.03 0.04 -0.01 0.01 0.06 -0.02 0.05 0.01 -0.04 -0.02 0.06 -0.08 -0.04 0.02 0.01 0.09 0.04 -0.01 0.05 0.06 -0.02 0.06 0.06 -0.05 0.03 0.19 -0.21 -0.15 0.01 0.01 0.06 0.03 0.01 0.10 -0.05 0.11 -0.02 -0.06 0.08 0.02 -0.03 0.05 0.04 -0.04 0.07 0.04 0.01 -0.19 -0.12 -0.02 -0.15 -0.03 -0.01 -0.10 -0.00 -0.03 0.03 -0.10 -0.04 0.05 -0.06 -0.04 0.06 -0.13 -0.06 -0.07 0.10 -0.04 -0.07 0.09 -0.04 -0.06 0.09 -0.19 0.29 -0.16 -0.10 0.17 -0.08 -0.14 0.31 -0.44 0.08 -0.02 -0.05 0.10 -0.01 -0.07 0.04 0.00 -0.07 0.04 -0.09 -0.03 0.01 -0.06 -0.05 0.04 -0.09 -0.03 0.01 0.01 0.06 -0.01 -0.02 0.05 -0.03 -0.02 0.08 0.05 0.00 0.05 -0.00 0.01 0.07 0.07 -0.03 0.07 -0.01 -0.04 0.16 0.07 0.06 -0.00 0.01 -0.04 0.10 0.04 0.19 -0.12 0.12 0.21 -0.22 0.00 -0.04 0.10 0.02 -0.02 0.08 0.05 0.12 -0.04 -0.02 -0.03 0.07 0.08 0.08 -0.04 0.21 0.10 -0.03 0.02 -0.05 0.06 0.02 -0.05 0.07 -0.06 0.01 -0.02 -0.02 -0.00 -0.07 0.21 0.01 -0.17 -0.05 -0.04 -0.04 -0.02 -0.06 0.02 -0.07 -0.08 0.01 -0.11 -0.01 0.01 -0.08 -0.01 -0.02 -0.08 -0.03 0.08 0.13 0.01 -0.15 0.12 0.03 -0.10 0.03 0.00 -0.07 -0.06 -0.03 -0.09 -0.08 -0.02 -0.06 -0.10 -0.03 -0.12 0.09 0.08 -0.04 0.20 0.02 -0.11 0.07 0.12 -0.08 -0.08 -0.15 0.09 -0.09 -0.09 0.13 -0.09 -0.16 0.18 0.04 -0.00 0.04 0.07 0.01 0.07 0.00 -0.01 0.00 0.04 -0.00 -0.13 0.01 -0.01 -0.12 0.05 0.01 -0.11 -0.08 0.00 0.17 -0.05 0.01 0.11 0.01 -0.01 0.12 -0.07 -0.00 0.13 -0.04 -0.03 0.16 -0.09 0.03 -0.04 -0.02 0.03 0.01 0.09 0.11 0.14 -0.03 0.02 -0.05 -0.01 -0.08 -0.02 -0.02 -0.09 0.03 0.01 -0.02 -0.08 -0.04 -0.00 -0.07 -0.01 -0.07 -0.05 0.05 -0.04 -0.01 0.19 0.15 0.06 0.22 0.23 0.09 -0.04 0.01 -0.08 -0.07 0.03 -0.00 0.14 -0.01 0.10 0.17 -0.03 0.05 -0.15 -0.01 -0.02 -0.05 -0.04 -0.09 -0.06 -0.02 -0.11 -0.02 -0.04 -0.09 -0.03 0.13 0.05 0.00 0.08 0.09 -0.03 0.13 0.04 -0.12 -0.02 -0.02 -0.11 -0.03 -0.03 -0.08 -0.04 -0.06 -0.19 -0.00 0.01 -0.13 0.04 0.03 -0.27 -0.07 -0.02 -0.07 -0.06 -0.01 -0.04 -0.06 -0.02 -0.06 -0.06 -0.01 0.03 -0.08 -0.08 0.05 -0.08 -0.05 0.05 -0.06 -0.04 -0.13 0.10 0.16 -0.15 0.09 0.15 -0.16 0.07 0.12 0.21 -0.07 -0.06 0.09 -0.06 -0.05 0.23 -0.02 -0.01 0.06 -0.02 0.01 0.10 0.04 0.03 -0.04 0.01 0.03 0.02 -0.01 -0.02 -0.01 0.00 0.01 0.13 0.00 0.10 -0.07 0.08 0.01 -0.08 0.04 0.03 0.05 0.06 -0.08 0.07 0.24 0.03 0.13 0.25 -0.11 0.09 0.09 -0.04 0.13 0.07 -0.05 0.08 0.18 -0.00 0.07 0.03 -0.05 -0.09 0.06 0.01 -0.10 0.08 0.02 0.09 0.03 -0.15 0.07 0.03 -0.11 0.03 -0.05 -0.07 0.01 -0.04 -0.03 0.01 -0.03 -0.02 0.08 -0.16 -0.11 0.09 -0.09 -0.14 0.06 -0.15 -0.11 -0.00 -0.12 0.01 0.01 -0.10 -0.02 -0.02 -0.06 0.00 -0.03 -0.11 0.03 -0.07 -0.06 0.13 0.04 -0.16 -0.07 0.04 -0.06 0.06 0.01 -0.09 0.05 0.03 -0.07 0.06 -0.13 0.03 0.24 -0.19 0.01 0.24 -0.06 0.05 0.19 -0.01 -0.11 -0.11 -0.04 -0.02 -0.08 -0.08 -0.17 -0.11 -0.01 0.00 0.05 -0.04 -0.00 0.09 0.03 -0.03 0.06 -0.02 -0.02 0.04 0.01 -0.03 0.05 -0.05 0.01 0.02 -0.03 0.11 -0.01 -0.04 0.09 -0.01 -0.09 0.06 0.06 -0.00 0.10 -0.02 -0.04 0.08 0.01 0.04 -0.08 -0.10 -0.06 0.08 0.02 0.02 0.09 -0.15 -0.02 0.08 0.03 -0.12 -0.08 0.09 -0.17 -0.09 0.19 -0.07 0.01 -0.11 -0.09 0.03 -0.11 -0.12 -0.04 0.01 -0.04 -0.06 -0.04 0.01 0.11 -0.18 0.10 0.13 -0.17 0.00 0.08 0.03 0.02 0.08 -0.01 0.04 -0.09 0.07 0.11 -0.07 0.04 0.01 0.00 -0.02 -0.03 0.04 0.01 -0.01 0.06 0.04 -0.06 0.02 0.04 0.06 -0.14 0.13 0.06 -0.13 0.11 0.04 -0.09 0.09 -0.00 0.02 -0.02 -0.03 0.03 -0.03 -0.01 0.04 0.00 0.22 -0.10 -0.02 0.15 -0.11 0.03 0.15 -0.10 -0.08 -0.08 0.07 -0.04 -0.13 0.11 -0.00 -0.11 0.03 -0.00 -0.09 -0.02 0.10 -0.11 0.01 0.09 -0.11 -0.03 0.13 0.06 0.02 -0.09 0.02 0.02 -0.01 0.12 -0.04 -0.07 0.22 -0.05 -0.02 0.27 -0.04 -0.04 0.14 -0.05 -0.08 -0.14 0.04 0.04 -0.09 0.05 -0.03 -0.05 0.08 -0.03 -0.12 0.04 -0.01 -0.11 0.08 0.03 0.01 -0.06 0.03 -0.04 0.03 -0.06 -0.12 -0.00 0.05 0.04 0.01 0.01 -0.04 -0.05 0.08 -0.10 -0.06 0.17 -0.00 0.09 -0.13 -0.01 0.07 -0.12 -0.04 0.00 0.00 0.03 0.02 -0.07 -0.16 0.01 0.04 -0.22 0.04 0.05 0.06 0.02 0.04 0.07 0.03 0.04 0.08 -0.07 0.06 0.03 -0.11 0.06 0.35 -0.14 -0.11 0.09 0.01 0.06 0.10 0.01 0.07 0.08 -0.01 0.08 -0.05 0.11 -0.03 -0.02 0.06 0.01 -0.05 0.10 -0.04 0.19 -0.08 -0.11 0.13 -0.03 -0.07 0.12 0.01 0.03 -0.15 0.01 -0.08 -0.11 0.05 -0.06 -0.14 0.02 -0.08 -0.02 0.09 -0.04 -0.08 0.13 0.01 -0.03 0.04 0.00 0.11 -0.06 0.14 0.04 0.02 0.06 0.06 -0.10 0.28 0.02 -0.01 0.05 0.04 -0.00 0.04 -0.02 0.00 0.02 -0.06 -0.17 0.03 -0.12 -0.14 0.01 -0.08 -0.12 0.03 -0.04 0.08 -0.08 -0.05 0.07 -0.06 -0.03 0.03 -0.07 -0.02 0.07 -0.09 -0.04 0.05 -0.06 0.12 -0.11 0.09 0.19 0.15 0.14 -0.03 -0.01 0.04 0.15 0.18 0.04 -0.05 -0.12 0.00 -0.10 -0.13 0.06 -0.03 0.03 -0.08 -0.04 0.16 -0.16 -0.05 -0.07 -0.02 -0.04 0.00 -0.08 -0.05 -0.03 0.07 0.06 -0.08 0.06 0.09 0.15 -0.05 0.06 0.08 -0.02 0.00 -0.00 -0.06 -0.05 -0.04 -0.06 -0.25 0.07 0.11 0.05 -0.01 -0.07 0.07 0.06 -0.09 -0.00 -0.03 -0.04 0.09 0.01 -0.11 0.14 0.01 -0.14 0.11 0.05 -0.03 -0.08 0.04 0.09 -0.04 -0.01 0.02 0.00 -0.02 -0.03 -0.04 -0.08 -0.11 0.01 -0.05 -0.12 -0.01 -0.08 -0.07 0.07 -0.11 -0.03 0.12 -0.13 -0.06 0.01 -0.08 -0.03 -0.10 -0.03 0.01 -0.09 0.02 0.10 -0.13 -0.05 -0.03 0.03 -0.00 0.04 0.02 -0.00 0.05 0.01 -0.03 0.00 -0.13 -0.08 -0.07 -0.14 -0.09 -0.06 -0.10 -0.07 -0.04 -0.03 0.07 0.21 -0.04 0.05 0.19 0.15 0.08 0.11 -0.00 0.07 0.16 0.13 0.14 0.16 0.03 -0.01 0.04 0.05 -0.03 -0.11 -0.01 0.02 0.02 0.08 -0.03 -0.04 -0.09 0.07 -0.01 -0.10 0.06 -0.09 -0.11 0.13 0.21 -0.10 0.02 0.27 -0.10 0.09 0.08 -0.11 0.10 0.23 0.01 0.09 -0.08 0.05 0.21 -0.03 0.06 -0.02 -0.02 0.05 -0.03 0.01 -0.16 0.01 0.18 -0.11 -0.04 0.07 -0.08 0.05 0.11 0.09 -0.01 0.01 0.08 -0.00 -0.01 0.08 0.01 -0.01 0.11 -0.01 0.03 0.04 -0.02 0.08 0.08 -0.02 -0.05 0.02 0.03 0.10 0.04 0.01 0.07 0.06 -0.02 0.02 -0.07 -0.18 -0.07 -0.01 -0.12 -0.03 -0.10 -0.20 -0.09 0.06 -0.02 -0.00 -0.01 -0.03 0.01 0.03 -0.01 -0.01 0.04 0.08 -0.07 0.04 0.06 -0.10 0.03 0.07 -0.16 0.00 -0.08 0.09 -0.01 -0.08 0.12 -0.02 -0.12 0.05 0.02 -0.09 -0.14 -0.00 -0.09 -0.13 0.03 -0.08 -0.12 0.01 0.04 -0.13 0.01 0.06 -0.11 0.05 -0.03 -0.10 -0.06 0.06 -0.01 0.06 -0.00 -0.12 -0.17 0.01 0.16 -0.04 0.13 0.09 0.01 -0.12 -0.05 -0.02 0.14 0.02 0.01 -0.04 -0.11 -0.00 -0.04 -0.04 -0.01 0.10 0.06 -0.04 0.19 0.01 0.01 -0.02 -0.07 -0.01 0.13 0.05 0.07 -0.13 -0.05 0.06 -0.12 -0.05 -0.05 0.12 -0.06 -0.06 0.04 -0.09 -0.04 0.09 0.01 -0.05 0.08 0.01 0.20 -0.24 -0.14 0.03 0.08 0.03 0.01 0.08 -0.01 0.06 0.08 0.01 0.01 -0.07 0.11 0.02 -0.03 0.06 -0.00 -0.01 0.10 -0.00 -0.15 -0.14 -0.06 -0.11 -0.12 -0.00 0.02 0.03 -0.02 -0.10 0.07 -0.02 -0.09 0.09 -0.03 -0.09 0.05 -0.13 -0.03 -0.06 -0.07 -0.05 -0.10 -0.10 -0.02 -0.09 0.17 0.01 0.06 0.16 0.01 0.06 0.19 0.04 0.17 -0.11 -0.13 -0.05 -0.16 -0.16 -0.08 -0.07 -0.13 -0.02 -0.05 0.06 -0.03 -0.01 0.04 -0.02 -0.01 0.02 -0.03 0.15 0.07 0.07 0.15 0.04 0.01 -0.06 0.09 0.08 0.13 0.07 0.11 -0.03 0.14 0.09 -0.03 0.07 -0.01 0.08 -0.17 0.11 -0.10 -0.00 -0.13 -0.05 -0.15 0.04 -0.00 -0.03 0.11 -0.09 -0.07 0.10 0.02 0.19 -0.14 -0.00 0.21 -0.14 -0.01 0.05 0.03 0.04 0.16 -0.09 -0.08 0.01 -0.16 -0.06 0.04 -0.15 -0.11 -0.16 -0.01 -0.12 -0.21 -0.02 0.11 0.15 0.02 0.08 0.12 0.01 -0.02 0.06 -0.01 -0.08 -0.06 -0.01 -0.10 -0.12 -0.01 -0.03 -0.05 -0.03 0.01 0.06 0.12 0.01 0.08 0.09 0.03 0.01 0.15 0.00 0.03 -0.00 0.06 0.00 0.02 -0.05 -0.03 -0.01 -0.03 -0.02 0.02 -0.01 0.02 0.06 -0.04 0.00 0.00 0.16 -0.07 0.07 0.22 -0.07 0.06 0.11 -0.07 0.08 0.00 -0.04 -0.06 -0.03 0.03 -0.04 -0.04 -0.07 -0.01 -0.07 -0.12 -0.08 0.01 -0.08 -0.02 -0.07 -0.10 -0.06 -0.01 0.06 -0.02 0.02 0.07 -0.03 -0.05 0.05 -0.06 -0.01 0.17 0.03 -0.00 0.14 -0.02 0.10 -0.14 0.08 0.02 0.16 -0.04 0.06 -0.10 0.10 0.14 0.12 0.01 0.14 0.04 -0.13 -0.05 0.06 -0.02 -0.06 0.07 0.00 0.05 0.03 0.04 0.08 0.04 -0.10 0.06 -0.09 0.08 0.08 -0.17 0.13 0.05 0.02 0.04 0.05 -0.04 0.04 -0.04 0.09 -0.06 -0.02 0.13 -0.04 -0.10 0.10 0.06 -0.10 0.08 0.04 0.06 0.09 -0.04 0.05 0.08 -0.06 0.21 -0.18 -0.13 -0.09 -0.01 0.08 -0.07 0.05 0.07 -0.11 -0.01 0.09 0.20 0.04 -0.08 0.18 0.05 -0.08 0.18 0.06 -0.11 -0.01 -0.14 -0.10 0.01 -0.12 -0.01 -0.09 -0.04 0.06 -0.01 -0.05 0.01 0.07 -0.02 -0.02 -0.00 -0.10 0.04 0.03 -0.10 0.12 -0.07 -0.08 0.16 0.04 -0.11 0.13 -0.05 -0.05 0.14 -0.08 -0.04 0.06 -0.05 -0.05 0.24 -0.11 0.05 0.01 -0.15 0.03 0.02 -0.09 0.01 0.00 -0.02 0.05 -0.06 -0.01 0.03 -0.04 -0.04 0.07 -0.06 -0.12 -0.05 -0.07 -0.12 -0.05 -0.06 0.11 0.01 -0.10 -0.09 -0.06 -0.05 0.10 0.01 -0.12 0.05 0.12 0.03 0.09 -0.04 0.03 0.01 0.02 -0.02 -0.09 -0.01 -0.02 -0.16 0.18 0.02 -0.07 0.20 -0.22 -0.16 0.05 -0.12 -0.17 0.12 -0.16 -0.14 0.10 0.00 -0.15 -0.02 -0.08 0.08 -0.06 0.09 0.06 -0.19 0.05 -0.11 -0.01 -0.03 -0.10 -0.00 -0.04 -0.11 -0.14 0.06 -0.09 -0.12 0.07 0.16 -0.05 -0.10 -0.05 0.03 0.03 -0.07 0.01 0.01 -0.01 0.04 0.01 0.04 -0.01 -0.09 0.02 -0.04 -0.04 0.05 -0.05 -0.08 0.01 -0.03 -0.08 0.04 -0.03 -0.01 -0.05 0.02 0.02 0.08 0.04 -0.04 0.09 0.02 -0.07 0.08 0.00 -0.02 0.10 -0.06 0.13 0.18 -0.11 0.07 0.00 -0.00 0.11 0.10 0.00 0.01 0.11 -0.02 0.00 0.13 0.04 0.07 -0.08 0.14 -0.09 -0.09 0.14 -0.07 -0.05 0.12 -0.08 0.05 -0.08 0.05 0.04 -0.06 0.04 0.09 -0.10 0.07 0.11 -0.00 0.03 0.12 0.06 0.09 0.09 -0.01 0.10 0.01 0.02 0.02 0.15 -0.06 0.02 -0.12 -0.13 0.06 -0.01 -0.05 0.03 -0.08 0.14 -0.03 -0.07 -0.01 0.03 0.16 -0.17 -0.02 0.01 -0.22 0.16 0.14 0.20 0.21 0.22 0.10 0.25 0.13 -0.03 0.05 0.10 0.10 0.19 -0.09 0.10 0.03 -0.13 0.03 0.01 -0.06 -0.02 0.02 -0.06 0.01 0.02 -0.10 -0.13 0.01 -0.07 -0.12 0.01 -0.07 -0.06 -0.03 -0.08 -0.00 -0.01 -0.08 -0.02 -0.01 -0.04 -0.00 -0.02 -0.06 -0.05 -0.07 -0.07 -0.07 -0.04 -0.04 -0.09 -0.05 -0.09 -0.04 -0.05 -0.07 -0.05 -0.06 -0.08 -0.01 -0.01 0.10 0.05 -0.07 0.06 0.01 -0.09 0.09 0.03 -0.07 -0.00 -0.08 -0.07 0.04 -0.06 -0.06 0.07 -0.11 -0.07 0.06 -0.06 -0.01 0.02 0.01 -0.03 0.04 -0.07 0.13 -0.01 0.19 -0.05 0.01 0.21 0.03 0.02 0.15 -0.05 0.02 -0.07 0.03 0.02 -0.06 0.02 0.00 -0.05 0.02 0.01 0.15 -0.01 -0.02 0.12 0.01 -0.01 -0.07 -0.01 0.03 0.14 0.07 -0.00 0.03 0.01 -0.09 -0.17 -0.08 -0.01 -0.01 -0.03 0.07 -0.07 0.06 0.10 -0.01 0.16 -0.01 0.06 0.02 0.02 0.07 -0.08 -0.01 0.03 -0.03 -0.03 0.04 -0.03 -0.01 0.03 -0.01 -0.00 0.03 -0.02 -0.01 -0.03 0.02 -0.02 0.02 0.04 0.08 0.02 0.22 0.06 0.01 0.25 0.02 0.04 0.03 -0.00 0.01 0.01 -0.17 0.06 -0.15 -0.17 0.11 -0.10 -0.14 0.07 -0.00 -0.15 0.10 -0.09 0.02 0.03 0.01 0.01 0.03 0.03 0.02 0.03 -0.01 -0.24 0.05 -0.13 -0.21 0.05 -0.07 -0.15 0.09 -0.13 0.05 -0.02 -0.07 0.03 -0.00 -0.04 0.09 0.06 -0.07 -0.08 -0.03 0.09 -0.01 -0.02 0.09 -0.05 -0.04 0.09 0.11 -0.11 -0.03 0.08 -0.09 -0.07 0.16 -0.05 0.26 0.24 -0.12 0.08 0.28 -0.10 0.06 0.17 -0.10 0.04 -0.06 -0.03 -0.03 -0.05 -0.03 -0.03 -0.05 -0.03 -0.02 0.06 -0.00 -0.07 0.05 -0.00 -0.06 -0.04 -0.04 0.01 0.03 0.00 -0.04 0.03 0.02 -0.04 0.05 0.02 0.05 -0.08 -0.05 0.00 -0.01 0.09 0.06 -0.11 -0.07 -0.05 0.01 0.00 -0.00 0.02 0.01 0.03 -0.00 -0.06 -0.04 -0.07 -0.05 -0.02 0.01 -0.02 -0.03 0.03 0.04 -0.02 -0.00 -0.00 0.19 0.03 -0.15 0.14 -0.04 -0.07 -0.02 -0.02 0.04 -0.01 0.11 0.19 0.04 0.02 0.10 -0.01 0.04 0.00 0.01 -0.01 -0.04 0.03 -0.03 -0.06 0.02 0.02 -0.03 0.01 0.05 -0.05 0.22 0.03 0.00 0.16 0.03 -0.04 0.19 0.04 -0.00 0.01 0.03 0.01 0.01 0.00 -0.02 0.02 0.15 -0.16 -0.20 0.13 -0.10 -0.10 0.12 -0.11 -0.26 -0.04 0.06 -0.02 -0.06 0.06 -0.01 -0.02 0.05 -0.02 0.03 0.00 -0.04 0.03 -0.02 -0.04 0.03 0.01 -0.07 -0.02 0.26 -0.02 -0.10 0.24 0.09 0.04 0.13 -0.06 -0.23 -0.04 -0.13 -0.17 -0.08 -0.10 -0.16 -0.04 -0.08 0.05 -0.05 -0.02 0.02 -0.01 0.08 -0.05 0.00 -0.00 0.03 -0.04 -0.05 -0.07 -0.08 0.00 0.17 0.14 0.11 -0.00 -0.11 0.03 -0.04 0.06 -0.00 0.09 -0.13 -0.20 -0.01 0.00 0.01 0.02 0.01 -0.12 0.01 -0.08 0.02 0.01 -0.13 0.06 -0.01 -0.02 0.01 0.02 -0.05 0.01 -0.06 0.07 -0.01 -0.04 0.07 -0.01 0.06 -0.13 -0.21 0.04 -0.12 -0.16 0.02 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.07 -0.06 0.18 0.29 -0.11 0.13 0.19 -0.12 0.15 0.25 -0.07 -0.06 -0.02 0.05 -0.05 -0.01 0.03 -0.05 -0.04 0.07 -0.12 -0.01 -0.07 -0.13 0.00 -0.07 0.09 0.21 -0.09 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.03 0.00 -0.12 0.09 0.12 -0.12 0.06 0.00 -0.11 0.09 0.03 0.10 0.18 0.01 0.13 0.18 0.02 0.09 0.26 0.01 0.02 0.02 0.05 0.05 0.08 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.03 0.02 -0.02 -0.08 -0.01 0.03 -0.07 -0.01 0.03 -0.02 -0.13 0.05 -0.04 -0.02 -0.03 -0.02 -0.14 0.04 0.01 0.01 -0.01 -0.03 -0.02 -0.10 0.10 -0.04 0.04 -0.01 -0.06 -0.07 0.29 -0.09 -0.06 0.20 -0.12 0.04 -0.07 0.13 -0.17 -0.09 0.23 -0.22 0.29 -0.00 -0.10 -0.04 0.01 -0.10 0.13 -0.02 0.02 0.33 -0.02 0.02 -0.00 -0.04 -0.03 0.00 -0.02 -0.02 -0.16 -0.05 0.12 -0.15 -0.06 0.11 0.09 0.05 -0.03 -0.00 0.02 -0.03 0.00 0.02 -0.01 -0.04 -0.02 0.00 0.07 0.06 0.02 0.01 0.03 0.09 0.05 0.03 -0.07 0.03 0.03 -0.00 0.02 0.06 0.06 0.01 0.04 -0.04 0.01 -0.01 -0.01 0.03 0.01 -0.00 0.02 0.00 -0.01 -0.05 0.03 0.10 -0.18 0.09 0.18 0.11 -0.02 0.11 -0.13 -0.00 0.09 -0.13 -0.01 0.11 -0.13 -0.01 0.04 0.00 -0.02 0.01 -0.02 -0.04 -0.03 -0.00 -0.02 0.01 -0.07 0.04 -0.01 -0.02 0.04 -0.01 -0.03 -0.03 -0.00 -0.03 -0.04 0.03 -0.02 -0.02 0.03 -0.03 -0.02 -0.08 -0.02 -0.05 -0.00 -0.03 -0.04 -0.10 -0.17 -0.03 0.13 0.01 0.06 0.06 -0.07 0.04 -0.09 0.04 0.21 0.08 0.13 -0.07 -0.03 0.13 -0.07 -0.09 -0.06 -0.15 -0.09 -0.10 -0.07 -0.12 0.13 -0.07 -0.06 -0.04 -0.13 -0.08 -0.10 0.07 -0.11 -0.24 0.12 -0.09 0.04 0.20 0.06 0.04 0.17 0.04 -0.11 -0.04 0.06 -0.06 -0.03 0.04 0.02 0.05 -0.02 0.02 -0.02 -0.01 0.05 0.05 -0.02 0.01 -0.00 -0.02 -0.13 -0.07 0.17 -0.12 -0.04 0.14 -0.14 -0.04 0.18 0.01 0.03 -0.01 0.07 -0.00 0.02 0.01 -0.03 0.01 -0.07 0.01 0.01 -0.12 0.02 0.07 -0.15 -0.00 -0.06 0.17 -0.08 0.10 0.31 -0.11 0.04 0.16 -0.06 0.09 0.09 -0.00 -0.08 0.09 -0.03 -0.12 0.11 0.02 -0.05 0.00 0.08 -0.02 -0.03 0.07 -0.02 0.01 0.07 -0.03 -0.03 0.03 -0.00 -0.00 0.03 -0.00 -0.05 0.03 -0.02 0.02 -0.05 -0.10 0.01 -0.07 -0.10 -0.00 0.05 0.08 0.01 -0.05 -0.07 0.03 0.05 0.07 -0.14 -0.02 0.03 -0.03 -0.03 -0.12 0.05 -0.05 -0.07 0.06 0.04 -0.01 -0.04 0.03 0.02 -0.06 0.01 -0.05 0.01 0.18 0.03 0.05 0.09 0.08 -0.04 0.06 0.05 -0.01 0.17 0.02 0.06 -0.16 0.08 -0.08 -0.34 0.02 0.10 0.07 0.10 0.13 0.12 0.09 0.04 0.07 -0.08 0.06 0.12 -0.05 -0.13 0.03 -0.01 0.06 -0.01 -0.08 0.13 0.04 -0.04 -0.05 -0.05 -0.03 -0.04 -0.11 0.09 -0.05 -0.06 0.05 -0.07 -0.06 0.04 -0.04 0.00 -0.01 -0.02 -0.02 -0.03 0.05 -0.03 -0.07 -0.14 -0.04 0.01 -0.14 0.00 0.05 -0.30 -0.15 -0.06 0.09 -0.06 0.00 0.16 -0.07 -0.03 0.05 -0.05 0.00 -0.13 -0.02 0.10 -0.15 -0.02 0.10 -0.14 -0.03 0.07 0.00 0.11 -0.10 -0.03 0.08 -0.17 -0.02 0.14 -0.11 0.11 0.00 0.03 0.06 0.01 0.04 0.14 0.01 0.06 -0.01 -0.04 -0.06 -0.03 -0.03 -0.04 -0.04 -0.02 -0.10 -0.01 -0.04 -0.03 -0.02 -0.03 -0.12 0.05 0.03 -0.21 -0.01 0.02 0.01 -0.09 -0.01 0.10 -0.03 0.04 -0.02 0.05 -0.05 -0.05 0.03 -0.06 -0.06 -0.08 0.03 0.01 -0.13 0.12 -0.03 0.05 -0.03 -0.04 -0.07 0.07 0.02 -0.12 -0.04 0.14 -0.63 -0.05 0.13 -0.05 0.03 -0.07 -0.06 -0.01 -0.07 -0.01 0.13 -0.01 0.06 0.12 -0.09 0.12 0.03 -0.01 -0.04 0.00 0.01 -0.06 0.01 -0.00 -0.03 -0.01 0.01 -0.06 -0.03 -0.04 -0.05 0.01 -0.09 -0.04 -0.02 -0.00 0.06 0.03 0.01 0.07 0.04 0.05 -0.03 0.03 0.01 0.08 0.05 0.02 0.04 -0.00 -0.02 0.22 0.16 0.08 0.01 -0.02 0.07 -0.06 -0.01 0.09 0.04 -0.02 0.07 -0.02 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.02 -0.08 0.05 0.03 -0.07 0.08 0.04 -0.09 0.07 0.19 -0.07 -0.15 -0.00 -0.08 -0.12 0.24 0.06 -0.06 0.01 -0.04 -0.01 -0.00 -0.05 -0.01 -0.01 0.02 0.01 -0.01 -0.04 0.03 -0.00 0.01 0.01 -0.04 0.16 -0.02 0.05 -0.01 0.05 -0.10 0.05 -0.17 0.05 -0.14 0.05 0.05 -0.03 -0.03 0.06 -0.02 -0.00 -0.06 -0.07 0.00 -0.10 0.11 -0.10 0.06 -0.04 -0.04 -0.07 -0.02 -0.03 -0.12 -0.03 -0.04 -0.40 -0.16 -0.09 0.06 -0.13 0.09 0.07 -0.08 0.09 -0.06 0.03 -0.04 -0.00 0.10 -0.02 0.03 0.06 -0.02 0.01 0.03 -0.02 0.01 -0.04 0.03 0.04 0.04 -0.02 0.13 0.02 -0.03 0.12 0.02 -0.02 0.13 0.03 -0.05 0.01 0.03 -0.01 -0.02 0.07 0.02 0.04 0.04 -0.04 -0.12 -0.09 -0.02 -0.03 -0.02 -0.01 -0.29 -0.26 -0.07 -0.13 0.06 0.03 -0.29 0.11 0.10 -0.05 0.02 0.04 0.06 -0.01 -0.06 0.07 -0.00 -0.03 0.07 0.00 -0.03 -0.01 0.11 -0.06 0.08 0.17 0.04 -0.04 0.12 -0.09 0.12 0.04 0.06 0.12 0.04 0.07 0.10 0.06 0.04 0.02 0.00 0.08 0.02 -0.03 0.06 0.05 -0.03 0.03 0.02 -0.00 0.09 0.03 -0.00 0.06 -0.12 0.09 -0.05 -0.03 0.02 -0.00 0.05 -0.01 0.00 -0.03 0.05 -0.02 -0.02 -0.07 -0.08 -0.03 -0.08 -0.18 -0.04 0.01 0.04 -0.10 0.04 0.04 -0.02 -0.05 -0.06 -0.02 0.08 0.06 0.04 0.03 -0.03 0.31 0.05 -0.02 -0.03 0.04 -0.05 -0.04 0.02 -0.04 0.10 0.11 0.04 0.03 0.11 0.08 0.16 0.08 -0.01 -0.05 0.01 -0.01 -0.07 0.01 -0.00 -0.03 -0.01 0.00 -0.14 -0.06 -0.16 -0.07 -0.07 -0.20 -0.11 -0.04 -0.07 0.10 0.07 0.01 0.13 0.08 0.06 -0.03 0.07 -0.02 0.02 -0.14 -0.13 -0.02 -0.15 -0.09 -0.18 -0.27 -0.24 0.01 -0.06 0.10 -0.13 -0.06 0.14 0.02 -0.06 0.11 0.00 0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.00 0.04 -0.02 0.04 0.02 -0.02 0.06 0.03 -0.05 0.00 0.01 0.05 0.25 0.17 0.11 0.19 -0.09 -0.05 0.12 0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.04 0.02 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.13 0.11 0.14 0.00 0.03 -0.02 0.05 0.02 0.08 -0.07 0.04 -0.07 -0.03 0.00 -0.00 -0.03 0.00 -0.01 0.03 0.01 0.01 0.11 -0.03 0.01 -0.03 0.01 0.02 -0.02 0.00 -0.06 -0.01 0.02 0.09 -0.08 0.01 0.09 -0.10 0.02 -0.15 -0.12 -0.03 -0.15 -0.10 -0.11 -0.19 -0.01 0.03 -0.07 0.10 -0.05 0.02 -0.09 0.00 0.06 -0.14 0.01 0.02 -0.04 0.00 0.05 0.08 0.13 0.20 0.03 0.10 0.28 0.05 0.10 0.11 0.03 -0.01 0.01 0.05 -0.02 0.02 -0.08 0.03 0.06 -0.04 -0.06 -0.14 -0.02 0.07 0.02 -0.20 -0.06 -0.30 0.03 -0.03 -0.01 -0.01 -0.05 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.13 -0.08 0.04 0.22 -0.04 0.07 0.07 -0.06 0.01 0.07 0.06 0.11 0.13 0.06 0.11 0.04 0.06 0.08 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.04 -0.02 0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.14 -0.14 -0.45 0.02 0.02 -0.02 0.03 0.00 -0.03 0.01 -0.02 0.01 -0.10 -0.07 -0.09 -0.06 -0.08 -0.37 0.03 0.01 0.05 0.04 -0.02 0.07 -0.11 -0.09 -0.05 0.03 0.02 0.05 0.04 0.00 -0.03 0.16 -0.01 -0.03 0.01 -0.02 0.01 0.02 -0.01 0.01 0.04 -0.07 -0.05 0.01 -0.08 -0.04 0.20 0.15 -0.02 -0.06 0.03 -0.04 -0.06 0.00 0.00 -0.04 -0.00 -0.03 0.04 -0.04 0.08 0.03 -0.02 0.07 0.02 -0.01 0.04 0.15 0.11 0.01 0.18 0.14 0.08 -0.01 0.11 -0.07 -0.05 0.09 0.08 -0.05 0.09 0.05 0.03 0.13 0.14 -0.06 -0.09 0.11 -0.49 -0.04 0.26 -0.05 -0.13 0.15 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.02 0.02 0.03 -0.03 0.05 0.04 -0.07 0.01 0.08 -0.02 -0.07 -0.05 -0.08 -0.13 -0.07 -0.07 -0.05 -0.03 -0.04 0.00 0.04 0.00 0.00 0.03 -0.00 0.02 -0.00 -0.04 0.01 0.04 0.01 -0.01 0.03 -0.01 0.08 -0.12 -0.10 0.05 0.06 -0.03 0.09 0.07 -0.08 -0.07 -0.03 -0.10 0.04 0.03 0.04 0.02 0.03 0.15 -0.01 0.00 -0.02 -0.04 0.03 -0.02 0.04 0.04 0.02 0.01 -0.02 0.02 0.01 0.03 -0.00 -0.00 -0.07 -0.03 -0.07 -0.05 -0.16 -0.08 -0.06 -0.18 0.04 0.05 0.10 0.00 -0.00 0.06 0.05 -0.12 0.03 -0.10 0.02 0.10 -0.17 0.00 0.07 -0.03 0.05 0.08 0.03 -0.21 -0.02 0.05 -0.14 -0.13 0.00 -0.10 -0.02 -0.03 -0.06 0.01 -0.03 -0.07 0.00 -0.11 0.01 0.10 -0.19 0.06 0.08 -0.17 0.04 0.02 -0.20 -0.03 0.12 0.03 0.03 -0.05 0.04 0.02 -0.06 0.01 0.04 -0.06 0.01 -0.00 -0.02 0.01 -0.01 -0.02 0.02 0.01 0.02 0.24 0.05 -0.04 0.47 0.15 -0.01 0.14 0.17 -0.07 -0.03 -0.01 -0.02 -0.12 -0.01 -0.01 0.01 0.03 0.03 -0.01 -0.01 0.03 -0.01 0.00 0.03 0.06 0.08 -0.03 -0.02 -0.01 0.02 0.03 0.02 -0.02 0.04 0.08 0.25 -0.01 -0.01 -0.07 0.06 0.09 0.21 0.00 -0.01 0.01 -0.00 -0.01 0.04 0.08 -0.01 -0.36 0.06 -0.12 -0.03 0.05 -0.18 0.01 0.01 -0.05 -0.00 0.07 -0.12 -0.03 0.02 0.07 0.21 0.13 0.02 0.19 0.01 0.00 0.05 0.05 -0.01 -0.00 -0.05 0.02 0.08 -0.01 0.02 0.05 -0.02 0.02 -0.01 0.03 0.01 0.00 0.04 -0.00 0.01 0.03 0.03 -0.01 -0.01 -0.05 -0.00 -0.03 -0.04 -0.01 -0.02 -0.05 -0.02 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.03 -0.02 0.00 -0.03 -0.02 -0.04 -0.03 -0.00 -0.03 -0.05 -0.02 -0.05 0.03 -0.02 -0.02 -0.24 0.09 0.13 0.04 -0.10 0.05 0.04 -0.01 -0.05 -0.00 0.09 -0.05 -0.02 -0.06 0.08 -0.03 -0.12 -0.17 -0.10 -0.18 -0.38 -0.04 -0.04 -0.12 0.05 0.07 -0.01 0.00 0.05 0.02 0.08 0.10 0.04 -0.07 0.17 0.04 -0.09 0.19 0.07 0.01 -0.00 -0.13 -0.03 0.18 -0.04 -0.05 0.05 -0.07 -0.10 0.08 0.14 -0.07 0.02 -0.08 0.01 -0.01 0.07 -0.02 -0.04 -0.03 0.04 -0.03 -0.06 -0.11 -0.06 0.38 -0.10 -0.03 0.06 -0.17 0.22 -0.09 0.03 0.07 -0.05 -0.11 0.08 0.02 -0.02 0.04 0.01 0.53 0.05 0.02 0.01 -0.02 0.02 0.04 0.01 0.00 0.03 0.04 -0.10 0.01 0.06 -0.07 0.03 -0.01 -0.02 0.03 0.02 0.05 0.01 0.00 0.04 0.05 0.06 0.03 0.04 -0.00 0.02 0.02 0.02 0.02 0.02 0.03 -0.04 -0.03 -0.00 -0.01 -0.03 0.00 0.01 0.02 -0.02 0.05 -0.00 0.04 0.03 0.00 0.05 0.03 0.00 0.04 0.03 0.05 0.02 0.07 0.37 -0.07 -0.08 0.05 0.10 0.01 0.05 -0.02 -0.07 0.05 0.01 -0.05 0.04 -0.03 -0.02 -0.01 -0.02 -0.03 -0.06 -0.06 -0.14 -0.01 0.01 -0.01 0.01 -0.12 0.03 0.00 -0.07 -0.01 -0.07 -0.12 -0.02 -0.05 0.02 0.07 -0.07 0.04 0.11 -0.09 0.03 0.00 -0.07 0.03 0.09 -0.03 -0.01 -0.09 0.05 0.00 -0.17 0.03 -0.01 0.07 0.03 0.04 0.07 0.02 0.01 0.03 -0.01 0.01 -0.08 -0.21 -0.02 0.74 0.01 0.00 -0.01 0.06 -0.25 0.14 -0.03 0.13 -0.05 0.01 -0.01 0.00 0.02 0.05 0.06 -0.12 0.08 0.06 0.00 0.00 0.01 0.00 -0.02 -0.00 0.00 -0.01 0.02 -0.00 -0.02 0.02 0.04 0.04 -0.01 -0.01 -0.01 -0.03 0.01 -0.01 -0.02 -0.02 -0.03 -0.02 0.03 -0.02 -0.01 0.04 -0.02 -0.01 0.03 -0.01 0.00 0.03 0.02 0.00 0.01 0.04 0.03 0.01 0.02 -0.04 -0.02 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.06 -0.00 0.05 0.19 -0.19 -0.14 -0.08 0.14 -0.07 -0.02 0.01 0.03 -0.03 -0.01 0.01 -0.02 0.01 0.01 -0.00 -0.03 -0.07 -0.01 -0.05 -0.15 -0.01 0.01 -0.05 -0.01 0.02 0.00 -0.03 0.00 0.02 0.02 0.04 0.03 0.01 -0.01 -0.08 0.02 0.03 -0.05 0.01 -0.03 0.13 -0.02 -0.00 -0.11 0.07 -0.04 0.08 0.00 -0.01 0.04 0.13 -0.03 0.10 0.04 0.00 0.18 0.03 0.01 0.03 0.06 0.01 0.05 0.15 0.02 -0.35 -0.09 0.05 0.03 -0.12 0.15 -0.03 0.07 -0.04 0.04 -0.10 0.10 0.01 0.01 0.12 0.02 0.16 0.30 0.09 -0.01 0.01 0.01 -0.01 -0.03 0.00 0.02 0.04 -0.07 -0.01 0.06 -0.04 -0.05 -0.01 -0.01 0.02 -0.02 -0.02 0.04 -0.01 -0.03 -0.00 -0.04 -0.01 -0.00 -0.07 0.04 0.02 -0.02 -0.03 0.02 -0.06 0.11 -0.04 -0.02 -0.00 -0.04 -0.02 -0.01 0.01 -0.03 -0.01 -0.02 0.07 -0.05 -0.02 0.09 -0.03 0.00 0.10 -0.05 -0.04 0.06 -0.06 -0.41 0.21 0.14 0.01 -0.07 0.02 -0.01 0.02 0.04 -0.01 -0.04 0.01 0.01 0.03 -0.03 -0.03 -0.05 -0.06 -0.09 -0.10 -0.26 -0.05 0.02 -0.03 -0.01 -0.10 0.08 -0.04 -0.05 0.04 -0.07 -0.09 0.04 0.03 -0.09 -0.08 0.03 -0.08 -0.04 0.17 -0.01 -0.00 -0.01 -0.09 -0.00 0.06 -0.02 0.12 0.05 0.00 -0.10 0.08 -0.01 0.02 -0.02 -0.08 -0.05 0.03 0.01 0.01 0.03 0.03 0.02 -0.06 0.02 0.33 0.01 -0.05 -0.03 0.06 -0.31 0.12 0.02 0.09 -0.00 0.00 -0.03 -0.06 -0.01 -0.10 -0.01 0.55 -0.21 -0.04 0.00 0.01 -0.01 -0.02 -0.01 0.02 -0.07 0.07 -0.02 -0.05 0.09 -0.03 0.05 -0.00 -0.00 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.02 -0.04 -0.01 0.03 -0.04 0.03 -0.02 -0.03 -0.02 0.07 0.01 -0.01 0.01 0.03 -0.00 0.04 -0.02 0.02 -0.01 0.02 0.04 0.00 -0.01 0.04 0.02 -0.06 -0.00 -0.05 -0.02 -0.02 -0.03 -0.37 -0.04 0.05 -0.04 0.00 -0.05 0.01 0.00 -0.01 -0.03 0.06 -0.04 -0.03 -0.02 0.09 -0.01 0.03 0.08 0.02 0.05 0.14 -0.01 0.01 0.06 0.05 -0.07 0.02 0.09 -0.01 -0.04 -0.01 -0.13 -0.06 -0.04 0.09 -0.06 -0.08 0.09 -0.01 0.10 -0.01 -0.05 -0.01 0.09 -0.11 0.03 0.02 0.03 -0.11 0.12 0.03 0.06 0.05 -0.08 -0.02 -0.00 0.01 0.03 -0.07 -0.03 0.01 0.06 0.02 -0.09 0.05 0.48 0.01 -0.01 0.02 -0.07 0.45 -0.26 0.00 0.11 -0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.25 0.06 0.00 0.03 -0.04 0.02 0.04 -0.02 0.03 0.02 -0.03 0.02 0.02 -0.03 0.03 0.08 -0.00 -0.00 -0.02 0.04 -0.00 -0.03 0.02 0.02 -0.01 0.04 0.00 -0.06 -0.05 0.04 -0.04 -0.04 0.02 -0.06 -0.03 0.04 0.01 -0.00 0.01 0.04 -0.00 0.05 -0.01 0.03 -0.01 0.01 0.03 -0.07 -0.03 0.04 -0.03 0.09 0.15 -0.07 0.02 -0.07 -0.03 -0.41 -0.13 0.03 -0.06 0.01 -0.08 0.00 -0.02 -0.02 0.03 -0.04 0.00 0.03 0.01 -0.02 -0.06 -0.02 0.02 -0.11 -0.04 0.03 -0.04 -0.06 0.01 -0.01 0.05 0.01 -0.03 0.05 0.01 0.01 0.05 0.02 -0.00 -0.03 0.05 0.01 -0.05 0.00 0.07 0.05 -0.12 -0.01 -0.03 0.12 0.01 0.03 -0.07 0.03 -0.05 -0.02 -0.04 -0.12 0.02 0.03 0.02 -0.03 -0.02 0.11 0.03 0.01 0.01 0.02 -0.01 0.01 0.13 -0.00 -0.12 0.06 -0.22 0.72 -0.43 0.01 0.02 -0.05 0.01 0.02 0.02 0.02 -0.01 0.00 -0.01 -0.05 -0.01 -0.05 0.08 -0.02 -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.03 -0.00 -0.00 -0.05 -0.07 0.04 -0.01 -0.08 -0.03 -0.10 -0.06 0.03 0.02 -0.02 -0.00 0.00 0.02 0.04 -0.02 -0.05 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.05 -0.02 -0.01 0.03 0.01 -0.01 0.00 0.01 -0.02 0.06 -0.02 -0.00 -0.01 -0.04 -0.02 -0.01 -0.02 0.01 -0.02 -0.02 0.04 0.07 -0.05 0.05 0.04 -0.04 0.02 0.05 0.05 0.01 0.00 0.10 0.04 0.04 0.03 0.02 -0.01 -0.01 -0.01 -0.00 -0.03 -0.02 0.00 0.01 -0.00 0.01 0.03 0.10 -0.06 -0.00 0.05 -0.06 -0.03 -0.11 -0.01 0.05 0.10 0.10 0.01 0.01 -0.01 0.02 -0.03 -0.06 0.00 -0.01 0.01 -0.00 -0.06 0.14 -0.01 0.02 -0.01 0.00 0.04 0.04 0.03 0.05 0.07 0.03 0.04 -0.00 0.00 0.24 -0.13 0.01 0.01 0.03 0.02 -0.00 0.01 -0.11 0.02 0.04 0.48 0.08 0.07 0.01 0.01 -0.01 0.03 0.03 -0.02 0.00 -0.02 0.02 0.02 -0.05 -0.03 0.02 -0.01 0.03 -0.03 0.03 -0.01 -0.04 0.02 0.01 -0.02 0.03 -0.00 -0.04 0.07 -0.02 -0.03 0.04 0.00 -0.03 0.04 0.00 0.04 0.00 0.02 0.04 0.00 -0.00 -0.02 0.05 -0.02 0.05 -0.04 0.09 0.02 -0.09 0.07 -0.37 -0.43 -0.05 -0.02 -0.06 -0.04 -0.09 -0.10 -0.05 -0.05 -0.03 -0.06 0.01 -0.01 -0.02 0.02 -0.04 -0.03 0.04 0.02 0.00 0.03 0.01 -0.05 -0.03 -0.05 -0.31 0.01 0.12 0.00 0.01 0.03 -0.07 0.17 0.00 -0.06 -0.07 0.00 -0.14 0.01 -0.09 -0.00 -0.04 -0.09 0.09 -0.00 -0.01 0.02 0.00 -0.09 0.06 0.00 -0.03 0.02 0.00 -0.02 0.01 0.02 0.13 -0.01 -0.03 -0.06 0.07 0.02 -0.12 0.00 -0.02 -0.02 0.02 0.08 0.01 -0.26 0.06 -0.04 0.00 -0.01 0.27 -0.18 -0.01 -0.10 -0.01 0.06 -0.02 -0.00 -0.04 -0.02 -0.00 0.23 0.04 0.02 0.03 -0.11 0.01 0.03 -0.08 0.03 -0.03 0.01 0.02 -0.02 0.02 0.02 -0.17 -0.02 0.07 -0.06 -0.01 -0.04 -0.06 -0.05 0.02 -0.06 -0.04 -0.03 0.02 -0.06 0.02 0.02 -0.03 -0.02 -0.00 0.00 0.00 0.05 -0.02 0.03 -0.01 -0.02 -0.09 -0.02 0.03 -0.07 0.01 0.07 -0.06 -0.02 0.08 -0.03 -0.10 0.01 -0.12 -0.04 0.00 0.02 0.66 -0.03 -0.19 -0.02 0.01 0.01 -0.03 0.02 0.05 -0.05 0.02 0.02 -0.03 0.02 0.08 -0.05 -0.01 0.03 -0.06 -0.03 -0.04 -0.06 0.02 0.04 0.02 0.01 0.00 0.07 0.05 -0.03 -0.03 -0.03 -0.06 0.05 0.03 -0.07 -0.00 -0.01 -0.02 -0.04 0.07 0.10 0.07 0.02 0.01 0.07 0.06 -0.00 -0.05 0.05 0.06 -0.04 -0.16 -0.01 -0.07 -0.13 0.09 -0.04 0.13 0.00 -0.05 -0.02 -0.05 -0.06 -0.01 0.06 0.04 0.05 -0.01 0.07 -0.04 0.03 -0.05 -0.02 -0.01 0.05 -0.03 0.02 -0.14 -0.04 -0.01 0.47 0.01 0.02 -0.07 0.13 0.01 -0.10 0.09 0.04 0.03 -0.04 0.07 0.07 -0.03 0.06 0.06 0.05 -0.06 0.09 -0.04 -0.00 0.12 0.01 -0.07 0.07 -0.04 -0.00 0.12 -0.14 0.00 0.06 -0.11 -0.00 0.09 -0.13 -0.08 -0.02 0.04 -0.03 -0.02 0.05 0.02 0.06 -0.06 0.05 -0.04 0.16 -0.15 -0.05 0.20 -0.12 -0.17 0.08 -0.22 -0.03 0.04 0.03 -0.05 0.03 0.03 -0.01 0.04 0.02 0.03 0.00 -0.01 0.06 -0.02 0.01 0.03 -0.01 -0.14 -0.02 -0.03 0.11 -0.04 -0.07 -0.05 -0.08 0.02 0.10 0.04 0.13 -0.03 0.13 0.19 -0.09 -0.04 0.06 -0.14 0.02 -0.07 0.09 -0.01 -0.07 0.15 -0.02 -0.12 0.00 0.03 -0.08 0.05 0.00 -0.11 -0.03 0.00 -0.01 0.06 0.13 0.05 0.05 0.01 -0.03 -0.01 0.03 -0.06 0.00 -0.04 -0.07 -0.11 -0.14 -0.11 -0.03 -0.04 -0.01 0.06 -0.15 0.27 -0.09 -0.05 0.01 -0.10 -0.01 0.04 0.09 0.00 -0.08 0.05 0.19 -0.19 0.02 0.01 -0.06 -0.02 0.00 -0.08 -0.02 0.09 -0.11 0.02 0.08 -0.13 0.01 0.12 -0.02 -0.09 0.05 -0.02 0.09 0.03 -0.02 0.05 0.05 0.02 0.08 -0.08 0.02 0.01 -0.02 -0.03 0.03 -0.05 0.01 0.08 -0.13 -0.01 -0.04 -0.11 0.00 0.07 0.02 -0.08 0.12 0.03 -0.02 0.02 -0.01 -0.05 0.02 -0.19 -0.20 -0.08 0.06 0.16 0.07 -0.16 0.26 0.20 0.09 0.08 0.13 -0.02 -0.02 -0.00 -0.06 0.04 -0.05 -0.08 -0.07 0.02 -0.00 0.01 0.02 0.07 0.05 0.08 -0.01 0.03 0.02 -0.01 0.12 -0.08 0.10 0.07 -0.05 0.01 0.09 -0.08 -0.06 0.04 -0.13 -0.11 0.03 -0.07 0.16 0.09 0.01 -0.07 0.05 -0.02 0.09 0.04 0.07 0.13 -0.19 -0.10 0.02 -0.03 0.05 0.03 0.10 -0.13 0.03 0.05 0.03 0.04 0.02 0.06 0.08 0.02 -0.13 -0.04 0.03 0.02 -0.08 0.13 -0.04 0.04 -0.00 0.03 -0.03 0.03 0.03 0.00 -0.02 0.04 0.30 -0.28 -0.05 0.01 0.04 -0.00 0.01 0.00 -0.02 0.04 -0.04 0.01 0.06 -0.02 0.02 -0.01 -0.03 0.06 0.00 0.07 0.03 -0.01 0.05 0.04 0.02 0.09 0.03 0.01 -0.00 -0.01 0.02 -0.03 0.02 0.01 -0.01 -0.00 0.06 0.01 0.02 0.02 0.01 -0.05 0.02 0.07 0.01 -0.05 -0.04 -0.02 -0.01 -0.02 -0.03 0.43 0.37 0.16 -0.08 -0.04 -0.02 0.28 -0.05 -0.13 -0.04 -0.04 -0.04 0.01 -0.04 -0.08 -0.01 0.01 -0.10 -0.01 -0.06 0.06 -0.02 0.00 -0.02 0.00 0.05 0.25 0.03 -0.13 -0.06 0.02 0.06 -0.01 -0.10 0.05 0.01 0.05 0.10 0.05 -0.09 -0.03 -0.06 -0.13 -0.02 0.03 -0.01 -0.07 0.07 -0.09 -0.03 -0.00 0.02 -0.02 0.05 0.04 -0.07 -0.09 0.02 0.04 -0.06 -0.03 0.17 -0.14 0.00 -0.04 -0.01 -0.01 -0.00 -0.03 -0.02 -0.00 0.08 -0.01 -0.00 -0.00 0.01 -0.13 0.08 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.10 0.06 0.01 0.45 -0.21 -0.07 -0.01 -0.02 0.02 -0.01 -0.04 0.01 0.01 -0.02 0.01 0.04 0.00 0.01 -0.10 0.04 -0.02 -0.02 -0.07 -0.07 0.01 -0.06 -0.06 -0.04 -0.12 -0.08 -0.04 0.02 0.01 -0.04 -0.01 0.04 -0.05 0.01 -0.00 -0.02 -0.02 -0.00 -0.01 -0.03 0.01 -0.02 -0.06 -0.07 -0.04 -0.07 0.01 -0.02 -0.06 0.02 0.37 0.30 0.16 0.04 0.03 0.01 -0.16 0.04 0.07 0.01 0.02 0.02 0.01 0.07 0.09 0.03 0.00 0.07 0.05 0.09 -0.02 0.01 -0.01 -0.05 0.12 0.09 0.31 0.07 -0.13 -0.07 0.02 0.03 -0.01 -0.07 0.02 0.01 0.01 0.09 0.01 0.10 -0.03 0.04 0.05 0.01 0.18 0.03 0.07 -0.04 0.07 -0.02 0.01 0.04 -0.00 -0.06 0.00 -0.04 -0.09 0.03 -0.01 0.02 0.04 0.04 -0.02 -0.01 0.00 -0.02 -0.11 -0.03 -0.06 -0.09 -0.02 0.00 0.21 0.02 -0.03 0.20 0.42 -0.31 -0.11 -0.04 -0.05 0.18 -0.06 -0.06 -0.00 0.04 -0.00 0.12 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.03 -0.13 0.09 0.02 -0.08 0.11 -0.00 0.19 0.02 -0.08 0.06 0.01 0.09 0.04 0.02 0.05 0.07 0.04 0.10 -0.02 0.02 0.01 -0.03 0.05 -0.03 -0.01 0.00 0.02 -0.06 0.05 -0.05 -0.04 0.07 0.04 0.05 -0.02 0.12 -0.03 -0.05 0.02 0.01 -0.03 0.02 0.30 0.22 0.15 -0.00 0.03 0.04 -0.02 0.01 0.03 -0.03 0.05 0.03 -0.03 -0.05 -0.03 -0.02 -0.05 -0.01 -0.05 -0.07 -0.11 0.02 0.02 -0.03 -0.05 -0.00 0.02 0.05 -0.05 -0.04 0.02 -0.08 0.05 -0.08 -0.05 0.03 0.02 -0.04 0.06 -0.00 -0.09 -0.03 -0.03 -0.10 0.01 0.04 0.01 0.03 0.02 -0.09 0.03 0.04 -0.05 0.02 -0.20 0.20 0.15 -0.12 0.02 0.09 0.05 -0.14 0.12 -0.03 -0.01 -0.00 -0.01 -0.01 -0.02 -0.03 -0.01 0.04 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.03 -0.04 -0.02 0.13 0.12 0.04 0.07 -0.04 -0.03 0.09 0.09 -0.00 0.00 -0.01 0.01 0.02 0.01 0.02 0.08 -0.07 0.02 -0.07 0.03 -0.01 -0.09 0.01 0.03 -0.06 0.03 -0.02 0.07 0.00 -0.03 0.08 -0.01 -0.02 0.08 0.01 -0.02 -0.02 -0.06 0.04 0.01 -0.06 0.08 -0.08 0.03 -0.03 -0.05 -0.03 -0.02 0.03 -0.00 -0.06 0.32 0.24 0.15 0.12 0.01 -0.01 -0.32 0.03 0.12 0.05 0.01 0.01 -0.01 0.01 0.01 -0.02 0.01 -0.01 0.01 0.03 0.13 0.02 0.05 0.03 -0.41 -0.19 -0.44 0.01 0.01 0.00 0.03 0.03 0.00 -0.04 0.06 -0.02 0.01 0.04 -0.01 0.00 0.00 -0.05 -0.01 -0.03 -0.07 -0.07 0.07 0.04 0.02 -0.00 -0.02 -0.12 0.03 0.09 -0.02 0.02 0.03 0.15 -0.13 -0.09 0.02 -0.09 0.08 0.02 0.05 -0.08 -0.03 -0.03 -0.05 -0.06 -0.04 -0.02 0.02 -0.01 -0.01 -0.00 -0.06 0.03 -0.04 -0.02 -0.04 0.04 0.03 0.00 -0.01 -0.01 -0.03 -0.13 0.14 0.02 0.04 0.07 -0.02 0.04 0.14 0.00 -0.01 0.02 0.02 0.02 0.03 0.00 -0.10 -0.14 0.14 -0.09 0.06 -0.04 -0.09 0.08 -0.01 -0.09 0.06 -0.04 -0.08 0.01 0.03 -0.12 -0.02 0.08 -0.08 -0.07 0.01 0.05 -0.12 0.09 -0.04 -0.09 -0.01 -0.09 0.08 -0.08 -0.00 -0.04 0.01 -0.01 -0.04 0.02 0.12 0.08 0.05 -0.06 0.14 0.04 0.29 0.21 -0.00 0.03 0.07 0.07 -0.00 -0.01 -0.03 0.00 0.01 -0.01 0.04 0.03 0.16 0.03 0.03 0.02 -0.33 -0.16 -0.36 0.04 0.00 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 0.00 0.01 0.02 0.09 0.03 0.01 0.04 0.16 -0.11 -0.06 0.03 0.02 0.01 0.15 -0.12 -0.09 0.02 -0.10 -0.26 0.05 0.02 -0.03 0.04 -0.14 0.12 -0.05 -0.04 -0.06 0.03 0.02 0.04 0.08 0.04 -0.02 -0.04 -0.03 -0.00 -0.09 -0.14 0.09 0.04 -0.03 0.02 -0.01 0.06 0.02 -0.03 -0.03 -0.03 0.01 0.17 0.04 -0.01 -0.03 -0.03 0.01 0.06 -0.01 0.01 -0.00 0.02 0.05 0.02 0.02 0.13 0.10 -0.11 0.04 -0.07 0.08 0.03 -0.06 0.03 0.06 -0.07 0.09 -0.03 0.01 0.00 -0.04 -0.04 0.07 -0.04 -0.02 -0.02 -0.04 0.12 -0.09 -0.00 0.12 -0.02 0.06 -0.06 0.12 -0.02 -0.04 0.00 -0.01 -0.05 -0.01 0.22 0.14 0.11 -0.08 -0.07 -0.01 0.14 -0.12 -0.11 -0.06 -0.03 -0.06 -0.03 -0.00 0.04 -0.02 -0.00 0.05 -0.07 -0.05 -0.18 0.06 0.05 0.04 -0.35 -0.18 -0.44 0.05 0.03 0.02 0.01 0.02 -0.00 -0.02 0.03 -0.01 -0.01 0.03 -0.02 0.05 0.06 0.01 0.06 0.03 -0.03 0.02 -0.02 0.00 0.07 0.05 -0.03 0.06 0.00 -0.03 0.06 -0.16 -0.34 0.04 0.02 -0.01 0.06 -0.08 0.05 -0.07 -0.03 -0.03 0.00 -0.00 -0.01 -0.05 -0.02 0.01 -0.00 0.04 0.01 0.11 0.10 -0.07 -0.00 0.05 0.01 -0.06 -0.11 -0.02 0.02 -0.04 0.00 -0.04 0.04 0.03 -0.07 -0.02 0.02 -0.07 0.02 0.04 0.01 -0.04 -0.06 -0.03 -0.04 -0.02 -0.38 0.13 -0.01 0.02 -0.07 -0.04 0.04 -0.07 -0.06 0.02 -0.07 -0.08 -0.03 0.01 0.02 0.04 0.06 -0.08 -0.01 0.05 0.10 0.02 0.01 -0.03 0.03 -0.03 -0.12 0.02 -0.08 -0.05 -0.01 -0.03 0.01 -0.00 -0.01 0.02 0.12 0.09 0.04 -0.02 -0.00 0.01 0.05 0.04 0.02 -0.01 -0.04 0.04 0.10 0.08 0.02 0.10 0.04 -0.03 0.12 0.09 -0.01 0.05 0.03 0.03 -0.17 -0.09 -0.23 0.03 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.02 0.01 0.01 -0.12 -0.02 0.02 -0.10 -0.04 -0.04 0.04 0.01 -0.03 -0.12 -0.02 0.06 -0.02 -0.01 0.01 -0.09 0.26 0.59 0.01 -0.05 -0.03 -0.03 0.02 -0.02 0.03 0.02 -0.02 0.01 -0.00 0.01 0.03 0.00 -0.03 -0.05 -0.01 0.03 0.08 -0.03 -0.01 0.01 -0.01 0.05 -0.11 -0.12 -0.03 -0.03 0.01 -0.00 0.03 -0.01 -0.01 0.05 0.02 -0.02 0.05 0.03 -0.02 0.03 -0.05 -0.07 -0.04 -0.07 -0.03 0.35 -0.10 -0.01 -0.02 0.02 0.03 -0.04 0.04 0.03 -0.01 0.00 0.06 -0.02 0.00 0.03 0.03 0.08 -0.09 -0.01 0.05 0.07 -0.02 0.01 0.01 -0.04 0.05 0.09 -0.02 0.06 0.05 -0.00 -0.01 -0.00 -0.01 0.02 0.04 0.02 0.05 -0.03 -0.02 0.00 -0.01 0.08 -0.02 -0.06 0.02 0.02 -0.04 -0.06 -0.04 0.01 -0.05 -0.04 0.03 -0.07 -0.05 -0.07 -0.01 -0.00 -0.01 -0.05 -0.01 0.02 0.01 -0.04 -0.01 0.01 0.02 -0.00 0.03 0.00 0.01 0.01 0.01 -0.01 0.09 0.04 -0.01 0.08 0.05 0.02 0.00 -0.05 -0.02 0.05 0.05 0.04 0.03 -0.02 -0.04 -0.09 0.31 0.75 0.01 -0.01 0.00 0.01 0.02 -0.02 0.07 0.02 0.01 -0.00 -0.01 0.02 0.04 -0.00 -0.11 0.02 0.01 -0.01 0.00 0.04 -0.02 -0.00 -0.03 0.02 0.02 0.00 0.01 0.02 -0.01 0.01 -0.03 -0.05 -0.01 0.07 0.01 -0.02 0.05 0.01 0.02 -0.01 0.01 0.01 0.01 0.01 0.00 0.78 -0.17 -0.05 -0.07 -0.07 -0.05 -0.08 -0.05 -0.07 0.00 -0.15 -0.03 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.06 0.02 0.03 -0.07 0.11 0.25 -0.07 0.06 0.02 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.04 -0.03 -0.02 -0.01 0.01 -0.02 0.14 -0.07 -0.12 0.03 0.06 -0.08 0.09 0.08 0.04 0.11 -0.00 -0.01 0.10 0.07 -0.22 -0.02 -0.01 -0.01 0.01 0.01 0.04 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.10 -0.02 0.02 -0.08 -0.02 -0.00 -0.01 -0.04 0.00 -0.08 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.04 -0.11 -0.01 -0.07 0.01 -0.04 0.07 -0.06 0.11 0.08 -0.01 0.00 0.01 -0.01 -0.04 -0.01 0.06 0.01 0.00 -0.00 0.01 0.02 -0.01 -0.00 0.04 -0.02 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.08 -0.03 0.21 0.03 -0.11 0.24 0.05 -0.14 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.60 0.24 -0.07 -0.12 -0.08 0.14 -0.13 -0.02 0.18 -0.13 0.01 0.09 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.02 -0.00 0.05 -0.09 0.07 -0.03 -0.20 -0.08 -0.15 0.07 0.01 0.02 -0.01 -0.01 0.03 0.01 -0.10 -0.04 -0.06 -0.02 -0.01 0.01 -0.05 0.05 0.06 -0.02 -0.06 0.05 0.03 0.06 0.03 0.02 0.03 -0.02 0.09 0.13 0.26 -0.07 -0.02 -0.02 -0.01 0.03 0.17 -0.01 -0.06 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.00 0.04 -0.00 -0.08 -0.01 -0.02 -0.01 0.00 -0.01 -0.04 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.10 0.04 -0.01 -0.00 0.01 0.00 -0.02 0.00 0.01 0.00 -0.10 0.03 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.04 0.01 -0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.20 0.08 -0.08 0.03 -0.04 -0.00 0.06 -0.01 0.00 -0.06 0.04 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 0.05 0.15 0.01 -0.10 -0.02 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.11 -0.08 -0.01 0.08 -0.07 -0.01 0.03 -0.05 -0.12 0.23 -0.09 -0.02 0.08 0.86 0.01 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.02 0.01 -0.03 -0.06 0.05 -0.00 0.01 0.02 0.07 -0.04 -0.01 0.02 -0.02 -0.00 0.00 0.00 0.03 0.00 -0.00 -0.01 -0.11 -0.27 0.33 0.07 0.02 0.05 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.03 -0.01 -0.01 -0.00 0.02 0.01 -0.02 -0.02 -0.02 -0.00 -0.04 -0.01 0.05 0.44 0.16 0.01 0.01 -0.00 -0.01 -0.09 -0.03 0.00 -0.01 -0.00 0.04 0.03 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.02 0.03 0.00 -0.03 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.01 0.08 -0.04 -0.11 0.23 0.04 0.18 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.02 0.05 -0.03 0.01 -0.03 0.50 0.23 0.06 -0.12 0.28 0.07 0.01 0.01 0.00 0.04 0.08 -0.06 -0.07 -0.05 -0.09 -0.01 0.01 0.01 0.03 -0.02 -0.08 -0.01 -0.03 -0.04 0.01 0.00 0.02 -0.02 0.03 -0.01 -0.04 0.04 0.00 -0.01 0.01 0.01 -0.01 0.02 -0.02 -0.00 -0.00 0.00 0.03 0.02 0.01 -0.54 -0.22 -0.10 0.00 -0.01 0.01 0.12 -0.00 -0.05 -0.03 0.54 -0.09 -0.06 -0.02 -0.08 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.02 0.14 -0.12 0.06 0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.02 0.01 -0.06 0.02 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.02 -0.03 -0.03 0.15 0.29 0.15 0.09 -0.27 0.15 -0.01 0.01 -0.01 -0.02 0.02 -0.01 0.01 0.03 0.17 0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.02 0.01 0.04 0.03 0.02 -0.01 -0.01 -0.04 -0.05 0.00 -0.01 -0.04 0.02 0.01 0.00 -0.01 -0.03 -0.00 -0.00 0.01 -0.09 -0.12 0.17 -0.04 -0.01 -0.02 0.00 0.00 0.00 -0.03 -0.01 -0.00 0.01 -0.00 -0.01 -0.18 0.00 0.06 0.00 0.03 -0.08 0.10 0.12 0.09 0.00 -0.02 0.01 -0.02 0.24 0.10 -0.01 -0.00 0.01 0.03 0.04 -0.03 -0.01 0.01 -0.01 -0.19 -0.12 -0.03 0.02 -0.02 0.01 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 0.09 -0.11 -0.01 0.07 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.02 0.02 -0.18 0.08 0.31 -0.07 0.31 -0.27 0.00 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.02 -0.04 -0.14 0.01 0.30 0.23 -0.19 0.01 0.00 0.01 -0.00 0.28 0.02 -0.05 -0.06 -0.15 -0.14 -0.01 -0.00 0.01 0.02 0.00 -0.04 0.00 0.00 0.02 0.01 -0.00 -0.06 0.00 -0.03 0.01 0.18 -0.16 0.08 0.00 -0.00 0.00 -0.03 -0.05 0.07 -0.02 -0.00 -0.00 0.01 -0.01 0.00 -0.06 -0.05 -0.12 -0.02 0.00 0.02 0.43 -0.00 -0.15 -0.01 0.08 0.16 -0.24 -0.22 -0.24 0.01 -0.01 0.00 -0.01 0.10 0.04 -0.01 -0.00 0.00 0.01 0.01 -0.03 0.02 -0.00 0.03 0.26 0.14 0.02 -0.04 0.16 -0.09 0.00 0.01 0.00 0.01 0.01 0.02 -0.03 0.03 -0.01 0.00 -0.00 -0.01 -0.01 -0.06 0.07 -0.02 0.01 -0.09 0.00 -0.02 -0.00 -0.01 0.03 0.12 -0.00 -0.04 -0.03 0.00 0.00 0.01 -0.11 0.00 0.11 -0.08 0.09 -0.13 -0.00 0.01 0.01 -0.07 -0.17 -0.10 0.06 0.14 -0.12 -0.01 -0.01 0.00 0.03 -0.07 0.02 0.06 0.06 -0.02 0.01 0.01 -0.02 -0.13 -0.02 0.17 0.14 -0.13 0.00 -0.01 -0.01 -0.00 0.03 0.03 -0.04 -0.11 -0.01 -0.08 0.00 0.01 -0.01 0.02 0.02 -0.03 -0.01 -0.02 0.04 -0.06 0.02 0.11 0.05 0.02 -0.01 -0.20 0.16 -0.21 0.00 0.00 -0.01 -0.01 0.03 -0.04 0.01 -0.00 -0.01 0.02 -0.02 0.03 -0.26 -0.15 -0.27 0.01 -0.01 -0.00 -0.09 0.00 0.03 -0.01 0.27 -0.11 0.05 0.09 0.03 -0.01 0.00 -0.00 0.01 -0.06 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.21 -0.10 0.01 -0.08 0.32 -0.18 0.00 0.01 0.01 0.01 0.03 0.03 -0.04 0.06 -0.02 -0.00 -0.00 0.01 -0.00 0.04 -0.04 0.00 0.00 0.03 0.01 -0.03 -0.00 -0.01 0.06 0.25 -0.02 -0.08 -0.04 -0.00 -0.00 -0.01 0.06 -0.00 -0.05 0.05 -0.04 0.07 -0.00 0.02 0.01 -0.10 -0.32 -0.20 0.07 0.26 -0.22 -0.01 -0.01 0.00 0.06 -0.11 0.04 0.10 0.09 -0.06 -0.00 -0.01 0.01 0.07 0.01 -0.10 -0.07 0.07 0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 0.08 -0.03 0.04 -0.00 -0.00 0.00 0.04 0.07 0.01 -0.02 -0.01 0.04 -0.06 0.02 -0.06 0.02 -0.04 -0.00 0.18 -0.16 0.10 -0.00 -0.00 -0.00 0.01 0.02 -0.02 0.02 0.01 0.02 -0.01 -0.00 -0.02 0.09 0.04 0.05 -0.02 -0.01 0.02 0.43 -0.01 -0.15 -0.01 -0.09 0.22 -0.26 -0.01 -0.36 -0.00 0.01 0.00 -0.00 -0.04 -0.01 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 0.03 0.01 -0.37 -0.16 0.06 -0.00 -0.05 0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.05 -0.06 0.01 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.05 -0.00 0.02 0.01 -0.00 -0.00 -0.00 0.03 0.02 -0.00 0.04 0.02 0.02 -0.00 -0.00 0.00 0.01 0.03 0.02 0.02 -0.03 0.02 0.01 0.00 0.00 -0.03 0.06 -0.02 -0.06 -0.06 -0.01 -0.00 -0.00 0.01 0.04 0.01 -0.06 -0.05 0.04 -0.01 0.01 0.01 -0.00 0.07 0.01 -0.01 0.12 -0.11 0.03 -0.00 0.00 -0.00 -0.05 -0.06 0.01 -0.00 -0.02 -0.03 0.06 -0.02 0.07 -0.02 0.03 -0.00 0.38 -0.35 0.05 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.14 0.08 0.12 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.14 0.04 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.04 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.04 -0.00 0.01 -0.00 -0.05 -0.02 0.01 0.08 0.12 -0.08 0.02 -0.00 0.00 0.07 0.04 0.05 -0.12 0.07 -0.01 -0.00 0.00 0.00 0.04 -0.01 -0.01 0.02 -0.00 0.06 0.00 -0.00 0.01 -0.04 0.06 0.12 0.02 -0.08 -0.05 -0.00 0.01 -0.00 0.03 -0.02 -0.07 0.00 -0.07 0.06 -0.00 -0.02 -0.02 0.12 0.20 0.10 -0.00 -0.16 0.11 -0.04 -0.02 -0.01 0.20 -0.42 0.13 0.46 0.43 0.07 0.01 0.00 -0.00 -0.06 -0.02 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 0.03 -0.02 0.01 -0.01 0.02 -0.01 0.10 0.10 -0.10 0.02 -0.01 -0.08 -0.13 0.05 0.03 -0.07 0.04 0.01 0.05 -0.05 -0.00 -0.00 0.00 0.00 0.08 0.05 -0.08 0.10 0.02 0.09 -0.00 0.00 -0.00 0.02 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.02 0.01 -0.07 0.03 -0.00 0.01 -0.00 -0.00 -0.12 -0.05 0.00 0.00 -0.01 -0.05 -0.13 0.03 0.00 0.00 0.01 0.08 -0.05 -0.13 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.01 -0.17 0.14 -0.09 -0.04 -0.02 -0.14 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.00 -0.02 0.00 0.02 -0.04 0.01 -0.08 0.16 0.37 -0.01 0.36 -0.30 0.00 -0.00 -0.00 0.01 0.04 0.02 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.03 -0.08 0.02 0.09 0.08 0.02 -0.02 -0.00 0.03 0.24 0.05 -0.32 -0.25 0.23 -0.02 -0.01 -0.00 -0.01 0.10 -0.18 0.14 -0.05 0.14 0.03 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.06 0.00 -0.03 0.01 0.06 0.03 0.08 -0.02 -0.04 0.03 -0.05 0.00 0.00 0.00 0.10 -0.08 0.07 0.01 0.01 0.03 -0.01 0.01 -0.01 0.01 0.03 0.09 -0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.01 -0.03 0.07 0.01 0.03 0.01 -0.01 -0.01 -0.01 0.06 0.10 0.03 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.00 0.00 0.01 -0.03 -0.05 -0.01 0.45 -0.27 -0.01 0.02 0.00 -0.02 -0.02 0.01 0.03 0.03 -0.02 -0.00 -0.00 -0.00 0.03 0.03 -0.06 0.02 0.01 0.06 0.01 -0.04 0.01 -0.13 0.17 0.35 -0.02 -0.05 -0.04 0.01 0.00 -0.00 -0.00 0.01 0.02 -0.06 -0.03 -0.05 -0.01 -0.02 -0.03 0.15 0.21 0.09 0.08 -0.18 0.09 0.02 0.00 0.01 -0.07 0.16 -0.03 -0.19 -0.19 -0.10 -0.00 0.01 -0.01 -0.03 0.01 0.09 0.04 -0.05 -0.01 0.01 -0.00 -0.01 -0.21 -0.13 0.13 0.06 0.22 0.16 0.00 -0.00 0.00 -0.05 -0.12 -0.04 -0.00 -0.06 -0.11 0.13 -0.03 0.02 -0.10 0.07 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.12 0.15 -0.13 0.02 0.01 0.02 -0.00 0.01 -0.01 0.03 0.03 0.06 0.00 0.00 -0.00 -0.03 0.01 0.01 -0.00 -0.04 0.02 0.02 0.01 0.02 0.02 0.02 0.02 -0.14 -0.19 -0.06 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.01 0.03 0.08 0.08 -0.00 0.24 -0.15 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.00 0.02 -0.06 0.07 -0.00 -0.01 -0.02 0.01 -0.02 0.00 -0.08 0.09 0.19 -0.01 -0.03 -0.02 -0.01 -0.00 0.01 -0.00 -0.03 -0.04 0.10 0.06 0.08 -0.00 -0.01 -0.02 0.08 0.13 0.06 0.02 -0.11 0.06 0.01 0.00 0.01 -0.04 0.07 -0.03 -0.09 -0.10 -0.05 0.00 -0.01 0.01 0.03 -0.02 -0.15 -0.07 0.06 -0.01 -0.01 0.00 0.01 0.40 0.25 -0.26 -0.17 -0.40 -0.32 0.00 -0.01 -0.00 -0.03 0.02 0.09 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.06 0.06 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.03 -0.03 -0.04 -0.11 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.04 -0.01 0.00 0.01 0.00 0.01 0.08 0.03 -0.01 -0.01 0.02 0.07 0.04 0.01 -0.01 -0.03 0.02 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.54 -0.00 -0.33 0.09 0.34 0.50 -0.00 0.00 -0.00 0.02 -0.02 -0.03 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.12 -0.04 0.06 -0.00 0.10 -0.09 -0.00 0.00 0.01 0.02 -0.05 -0.03 0.03 0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.09 0.02 -0.07 -0.06 0.07 0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.04 0.01 -0.02 0.01 0.00 0.00 0.02 0.01 -0.01 0.04 0.01 -0.14 0.02 0.00 -0.06 -0.23 -0.10 0.06 -0.06 -0.01 -0.15 0.00 -0.00 -0.00 -0.01 -0.02 0.02 0.11 0.03 0.11 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.04 -0.01 0.02 0.00 -0.01 -0.03 0.01 0.10 -0.02 -0.01 0.00 -0.01 0.04 0.02 0.00 -0.00 0.00 -0.00 -0.04 -0.15 -0.01 0.00 -0.01 -0.02 -0.07 0.16 0.28 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.16 -0.25 0.21 -0.09 0.19 -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.01 0.01 -0.30 -0.16 0.08 -0.08 0.12 -0.18 0.00 0.00 -0.00 -0.02 0.02 0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.02 0.02 0.00 -0.00 0.01 0.00 0.03 0.01 -0.08 -0.02 0.05 0.02 -0.00 0.00 -0.01 -0.32 0.20 -0.14 0.37 -0.23 0.19 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.08 -0.12 0.07 0.01 -0.01 -0.02 0.07 0.05 -0.03 -0.01 0.03 0.05 -0.01 -0.00 0.00 -0.15 0.00 0.01 -0.29 -0.09 -0.32 0.00 -0.00 0.00 0.05 0.02 0.01 -0.00 0.00 0.01 0.07 0.03 -0.04 0.01 -0.04 -0.08 -0.05 -0.01 -0.05 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.12 0.39 0.01 0.00 -0.00 0.00 -0.00 0.02 0.03 0.02 0.08 -0.05 -0.00 0.00 -0.00 0.02 0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.03 -0.02 0.00 -0.06 0.00 -0.01 0.00 -0.04 0.04 0.07 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.04 0.01 0.06 -0.01 0.06 -0.07 0.00 -0.01 -0.02 0.01 0.09 0.05 -0.16 -0.08 0.08 0.00 0.00 0.00 -0.01 0.01 -0.03 -0.03 -0.03 -0.02 -0.01 -0.02 0.00 0.16 0.04 -0.04 -0.01 0.13 0.09 -0.00 0.00 -0.00 -0.09 -0.02 0.03 0.11 0.00 0.09 -0.00 0.00 -0.00 0.02 0.15 0.12 0.10 0.30 0.29 -0.10 0.03 -0.13 0.22 -0.34 0.03 -0.00 0.01 -0.00 0.01 0.01 0.02 0.10 -0.00 -0.00 -0.16 -0.05 -0.18 -0.00 0.00 -0.01 -0.05 -0.02 -0.01 0.00 -0.01 -0.01 -0.11 0.02 0.02 -0.03 0.05 0.36 0.04 0.09 0.02 -0.01 0.01 0.00 0.03 -0.01 -0.00 0.00 -0.01 0.00 0.03 0.27 0.10 0.01 -0.01 -0.00 0.05 0.09 0.10 -0.01 -0.04 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 -0.22 0.08 0.03 0.07 -0.29 0.01 -0.00 0.00 -0.00 0.04 -0.03 -0.03 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.08 0.11 0.09 -0.03 0.04 -0.06 -0.01 -0.00 0.02 0.04 -0.06 -0.04 0.19 0.04 -0.07 -0.00 -0.00 -0.00 0.02 -0.00 0.05 0.02 0.02 0.00 -0.00 -0.01 -0.00 0.07 0.02 0.02 -0.04 0.01 -0.02 -0.02 0.01 -0.01 -0.02 0.08 -0.07 0.26 -0.25 0.10 0.00 0.01 0.01 0.01 -0.10 -0.14 0.12 0.06 -0.29 0.15 -0.03 -0.07 -0.29 0.03 0.08 -0.08 0.08 -0.00 0.00 -0.00 0.00 0.50 -0.04 -0.03 -0.05 -0.05 -0.14 0.00 0.00 0.00 -0.04 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.02 -0.00 0.03 -0.02 -0.02 0.17 -0.09 -0.01 0.00 0.01 -0.04 -0.02 0.00 0.01 -0.00 -0.01 -0.04 0.20 0.19 -0.01 0.00 -0.01 -0.06 0.00 0.05 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.04 -0.04 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.08 -0.21 0.20 -0.06 0.08 -0.12 0.00 0.00 0.00 0.03 -0.02 0.01 -0.04 -0.02 0.03 0.01 0.01 0.01 -0.12 -0.10 -0.03 0.01 0.03 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.04 -0.05 0.06 0.08 0.07 -0.01 -0.01 -0.00 0.00 0.08 0.04 0.05 -0.15 -0.05 -0.15 0.02 -0.01 0.00 0.05 0.02 -0.03 -0.32 0.19 -0.18 -0.01 0.02 0.01 -0.09 -0.23 -0.16 -0.01 0.01 0.09 0.27 -0.05 -0.01 0.05 -0.07 0.01 0.04 -0.01 0.10 0.00 0.01 -0.00 -0.18 0.02 -0.00 0.02 -0.01 -0.03 0.00 0.00 -0.03 -0.04 -0.02 0.00 0.01 -0.01 -0.02 -0.16 0.05 0.00 -0.06 0.05 0.75 0.09 0.03 0.09 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.01 0.01 -0.00 -0.03 -0.05 -0.06 -0.01 -0.03 0.02 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.06 -0.08 0.06 -0.07 0.15 -0.10 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.07 -0.08 -0.05 0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.06 0.03 0.03 0.26 -0.03 -0.06 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 0.05 0.04 0.06 0.01 -0.00 0.00 -0.02 -0.05 0.05 -0.15 0.17 -0.05 -0.00 -0.01 0.00 0.03 0.13 0.10 -0.11 -0.12 0.17 -0.08 0.02 -0.13 0.10 -0.09 -0.00 0.04 -0.02 0.04 -0.00 0.01 -0.01 0.07 -0.05 0.04 0.24 -0.07 -0.09 -0.00 0.00 -0.00 0.03 0.01 0.01 -0.00 0.00 0.00 0.02 0.03 -0.02 0.00 -0.02 0.00 -0.00 -0.08 0.03 -0.01 -0.01 -0.00 0.01 0.08 0.03 0.01 -0.00 -0.02 -0.28 0.06 0.53 0.00 -0.00 0.01 0.05 -0.00 -0.03 -0.01 0.05 -0.03 0.00 -0.00 0.01 -0.05 0.13 -0.18 0.05 0.01 -0.02 -0.00 -0.01 0.01 -0.04 0.16 -0.17 -0.02 0.07 -0.00 0.00 -0.00 -0.00 0.12 -0.06 0.04 -0.15 -0.05 0.13 -0.00 0.00 0.00 0.10 0.05 -0.02 0.01 -0.06 0.06 0.00 0.00 -0.01 -0.02 0.05 0.03 -0.01 -0.04 0.03 -0.00 0.00 -0.00 0.00 0.03 0.04 -0.03 -0.02 0.02 0.01 0.01 -0.01 -0.04 -0.00 0.07 -0.13 -0.14 -0.23 -0.01 0.01 -0.00 0.03 0.01 -0.01 0.16 -0.15 0.07 -0.00 -0.01 0.00 0.10 0.13 -0.02 -0.16 -0.17 0.20 -0.13 0.03 -0.09 0.07 -0.11 0.00 -0.03 0.01 -0.07 -0.01 -0.01 -0.02 0.34 -0.06 0.01 -0.06 0.05 0.09 0.01 0.00 -0.01 -0.07 -0.03 -0.02 -0.00 0.00 -0.02 -0.07 -0.04 0.04 -0.02 0.06 0.21 0.06 -0.08 0.10 -0.01 0.00 -0.00 -0.03 0.03 0.01 -0.00 0.00 0.01 0.09 -0.09 -0.21 0.00 -0.01 0.01 0.06 0.01 -0.03 0.01 -0.01 0.01 0.00 0.00 -0.00 0.03 -0.05 0.09 -0.04 -0.01 0.02 -0.00 -0.01 0.01 0.02 0.21 -0.27 -0.01 0.13 0.08 -0.00 0.00 0.00 -0.07 0.04 -0.02 0.07 0.02 -0.06 -0.00 -0.00 -0.00 0.09 0.05 -0.02 0.02 -0.05 0.06 0.00 -0.00 -0.01 -0.04 0.02 0.02 -0.03 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.06 -0.06 0.05 0.04 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.04 -0.04 -0.04 -0.06 -0.02 0.01 0.00 0.06 0.06 -0.05 0.20 -0.23 0.06 -0.01 0.02 -0.01 -0.16 -0.21 0.00 -0.00 0.14 0.29 0.15 -0.02 0.24 0.35 -0.03 -0.09 -0.05 0.02 -0.09 0.00 -0.01 0.01 -0.08 -0.00 0.01 -0.13 -0.03 -0.11 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.02 -0.03 -0.08 0.05 -0.00 0.01 -0.03 0.09 -0.35 0.24 0.01 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.02 -0.01 -0.04 0.30 0.22 -0.01 0.02 -0.01 -0.06 -0.08 -0.10 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.02 0.02 -0.00 0.00 -0.00 0.10 -0.15 0.13 -0.03 0.08 -0.05 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 0.00 0.02 0.00 0.01 -0.00 -0.10 -0.09 -0.04 0.02 0.02 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.07 0.01 -0.02 -0.00 0.00 0.01 -0.04 -0.03 -0.13 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.05 0.01 0.01 0.01 0.04 0.04 -0.00 0.00 0.00 0.07 -0.06 0.05 0.07 -0.03 0.04 0.02 0.01 -0.03 -0.13 -0.09 0.13 -0.00 -0.07 -0.12 -0.14 0.03 0.56 -0.01 0.22 -0.03 0.09 -0.07 -0.01 -0.00 -0.00 -0.00 0.19 -0.04 0.01 0.01 0.03 0.08 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 -0.02 -0.00 -0.00 0.06 0.00 -0.06 0.03 -0.02 -0.00 -0.00 0.03 0.02 0.01 0.00 0.00 0.00 0.02 -0.09 -0.08 -0.00 0.02 -0.00 0.03 -0.04 -0.09 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.05 0.02 0.03 0.01 -0.02 -0.01 0.01 -0.02 0.20 -0.34 0.29 0.01 -0.02 0.04 0.00 -0.00 0.00 -0.03 0.02 -0.00 0.02 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.04 0.05 0.04 0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.05 0.05 -0.05 -0.04 0.02 -0.00 0.00 0.00 -0.01 0.01 0.03 -0.06 -0.05 -0.08 -0.03 0.02 -0.02 0.46 -0.37 0.26 0.25 -0.13 0.15 -0.00 -0.01 0.01 0.16 0.11 -0.14 0.08 0.14 -0.01 -0.11 0.02 -0.14 0.01 -0.05 0.00 -0.03 0.05 0.01 -0.02 -0.02 -0.00 0.21 -0.04 0.00 0.01 0.08 0.19 0.01 -0.00 -0.01 0.00 -0.00 -0.02 0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.16 0.05 -0.17 0.11 -0.01 -0.01 0.00 -0.02 0.04 0.02 0.01 -0.00 -0.01 -0.06 -0.08 0.06 -0.00 0.01 -0.01 -0.08 0.01 0.06 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.04 -0.07 -0.02 0.06 0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.07 -0.13 0.10 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.00 0.01 -0.06 -0.03 0.04 -0.05 0.03 -0.08 -0.01 -0.01 0.00 0.04 -0.02 -0.02 -0.07 0.01 0.01 0.00 0.01 -0.00 -0.02 0.05 0.00 -0.07 -0.06 0.03 0.00 0.01 0.00 0.01 0.01 0.01 -0.16 -0.10 -0.21 0.02 -0.01 0.01 -0.23 0.21 -0.15 -0.16 0.08 -0.10 0.01 -0.02 0.00 0.17 0.22 -0.01 0.27 0.43 -0.12 -0.33 0.07 0.05 0.08 0.06 -0.04 0.09 -0.08 0.02 -0.02 -0.02 -0.01 -0.34 0.03 0.03 0.17 0.01 0.10 0.01 0.00 -0.00 -0.05 -0.02 -0.02 0.00 -0.00 -0.00 -0.04 -0.03 0.03 -0.01 0.04 0.11 -0.00 0.17 -0.07 0.02 0.00 -0.00 -0.00 0.02 0.00 0.01 0.00 -0.01 -0.14 -0.14 0.18 -0.00 -0.00 0.00 0.01 0.03 0.03 0.03 0.04 -0.03 0.01 0.00 0.00 -0.03 0.07 -0.10 -0.00 0.06 -0.05 -0.01 0.01 -0.01 0.07 -0.09 0.07 0.07 -0.11 0.13 -0.01 0.00 0.00 0.29 -0.17 0.07 -0.15 -0.12 0.07 -0.00 0.00 0.00 0.03 0.04 0.03 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.06 0.01 -0.01 -0.11 -0.02 0.04 -0.01 -0.01 0.00 0.03 -0.06 0.02 0.08 0.07 -0.04 0.01 0.00 -0.01 -0.05 -0.02 -0.02 0.04 -0.00 0.02 -0.00 0.00 -0.01 0.05 -0.10 0.08 0.02 0.04 0.04 -0.01 0.01 -0.01 -0.25 -0.18 0.20 0.20 0.37 -0.01 0.24 -0.05 0.08 0.14 0.00 -0.04 -0.03 0.04 0.02 0.00 -0.01 0.00 -0.02 0.04 -0.04 -0.20 0.10 0.17 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 0.01 -0.07 0.04 -0.00 0.01 0.01 0.04 -0.08 -0.02 0.01 -0.01 0.00 0.06 0.13 -0.02 -0.00 0.00 0.00 0.02 -0.04 -0.07 0.04 0.03 -0.02 0.00 0.01 -0.00 -0.11 -0.19 -0.07 0.19 0.16 -0.20 0.00 -0.01 0.01 -0.01 0.09 -0.10 -0.07 0.16 -0.10 -0.01 0.01 0.00 0.34 -0.21 0.07 -0.11 -0.13 0.01 0.00 0.00 -0.01 -0.06 -0.07 -0.05 0.03 -0.02 0.04 -0.01 0.00 -0.00 0.04 0.02 -0.00 -0.01 -0.02 0.02 -0.00 -0.00 -0.01 0.11 0.16 0.43 -0.05 -0.04 0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.02 0.14 0.10 0.19 -0.00 0.00 0.00 -0.00 0.02 -0.02 0.00 -0.02 -0.00 -0.01 -0.01 0.00 0.15 -0.03 -0.30 0.01 0.01 0.01 0.01 -0.01 -0.01 0.10 0.15 -0.05 0.00 -0.01 -0.02 0.00 0.01 0.00 0.26 -0.04 -0.01 0.12 -0.13 -0.25 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.02 0.02 -0.15 0.08 -0.01 -0.00 -0.00 -0.03 0.00 -0.00 -0.01 0.01 0.03 0.12 -0.19 -0.31 -0.00 0.01 -0.00 -0.02 -0.02 -0.01 0.05 0.04 -0.03 0.00 0.00 -0.01 0.08 0.20 0.01 -0.15 0.05 -0.00 0.00 0.00 -0.00 -0.04 -0.01 0.04 0.01 -0.05 -0.02 -0.02 0.01 0.00 0.50 -0.31 0.10 -0.16 -0.19 0.01 0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.05 0.04 0.00 0.02 -0.04 0.02 0.01 0.00 0.01 -0.06 -0.01 -0.19 -0.06 -0.07 -0.06 -0.01 0.00 0.01 -0.00 0.00 0.00 0.04 0.02 0.06 0.00 -0.00 0.00 -0.02 0.05 -0.04 -0.00 -0.03 -0.01 0.01 0.00 -0.00 0.00 0.05 0.07 -0.04 -0.06 -0.00 -0.10 0.03 0.05 -0.13 -0.16 0.07 0.03 -0.03 -0.00 -0.01 -0.01 0.00 0.17 0.02 -0.05 0.28 -0.08 -0.10 0.01 -0.00 -0.00 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.02 0.06 0.02 -0.12 0.07 -0.01 0.01 0.00 0.01 -0.10 -0.03 -0.00 0.01 -0.00 -0.15 -0.14 0.19 -0.00 0.00 0.00 0.01 -0.05 -0.09 -0.03 0.01 0.00 -0.00 -0.01 0.01 0.01 0.15 -0.09 -0.02 -0.09 0.08 0.01 0.00 0.00 -0.05 0.04 -0.01 -0.00 -0.02 -0.03 0.01 -0.01 -0.00 -0.20 0.13 -0.03 -0.03 0.07 0.09 -0.00 -0.00 -0.01 -0.11 -0.09 -0.04 0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.12 0.02 0.02 0.00 0.00 -0.00 -0.02 -0.01 -0.05 -0.01 -0.00 0.02 -0.02 -0.01 -0.02 -0.03 -0.01 -0.03 0.40 0.22 0.49 -0.00 -0.00 0.00 0.00 0.04 -0.03 0.00 -0.03 -0.01 -0.00 0.01 0.01 0.09 -0.06 -0.24 0.11 0.19 -0.01 0.04 -0.01 -0.01 -0.02 -0.10 0.02 0.02 -0.02 -0.01 -0.00 0.01 -0.01 0.32 -0.05 -0.01 -0.08 0.07 0.15 -0.00 0.00 0.00 0.03 0.01 0.02 0.01 -0.00 -0.00 -0.03 -0.01 0.02 0.00 -0.02 -0.01 -0.00 0.13 -0.06 -0.01 -0.00 -0.01 -0.06 -0.00 -0.01 0.00 -0.01 -0.01 -0.03 0.10 0.10 0.00 -0.01 -0.01 -0.05 0.13 0.23 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.10 -0.03 0.08 0.03 -0.05 -0.01 0.01 -0.02 0.09 -0.10 0.06 0.16 -0.27 0.29 -0.00 0.00 -0.00 0.04 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.19 0.20 0.11 -0.02 0.04 -0.05 -0.00 0.00 -0.00 -0.03 0.02 0.02 0.08 -0.02 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.04 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.00 0.01 0.02 0.25 0.14 0.30 0.00 -0.01 -0.01 0.02 -0.02 0.00 -0.05 0.04 -0.03 0.01 -0.01 -0.01 -0.05 0.13 0.25 -0.17 -0.20 0.14 -0.18 0.04 0.06 0.13 0.06 -0.05 -0.00 0.01 0.01 0.00 0.02 -0.01 -0.13 0.02 0.01 0.12 -0.08 -0.16 0.00 0.00 -0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.02 0.01 0.04 -0.31 0.18 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.02 0.02 0.04 -0.14 -0.13 -0.00 0.01 -0.01 -0.05 -0.02 -0.02 -0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.06 -0.04 -0.06 0.14 0.05 -0.10 -0.00 0.01 -0.02 0.02 -0.11 0.12 0.12 -0.24 0.17 0.01 -0.00 -0.00 -0.16 0.10 -0.04 -0.02 0.01 0.03 0.00 -0.00 0.01 0.04 0.06 0.06 -0.04 0.04 -0.06 0.01 -0.00 -0.00 -0.04 0.00 0.01 -0.04 0.00 0.01 -0.00 -0.01 -0.02 0.14 0.15 0.48 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.07 -0.04 -0.09 0.01 -0.00 0.00 -0.09 0.07 -0.04 -0.02 0.01 -0.02 -0.00 0.01 -0.02 -0.09 -0.13 -0.03 -0.11 -0.10 0.16 0.11 -0.02 0.14 -0.08 -0.32 0.08 0.07 -0.05 0.01 0.00 0.00 0.01 0.27 -0.08 0.03 0.00 0.04 0.09 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 0.01 0.03 0.03 -0.02 0.00 -0.01 -0.05 -0.01 -0.05 0.01 -0.00 -0.01 -0.02 -0.09 0.07 0.01 0.00 0.00 -0.00 -0.02 -0.03 0.03 0.00 0.00 0.01 0.05 -0.09 -0.18 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.06 -0.10 -0.04 0.11 0.05 -0.08 0.01 -0.00 0.01 -0.09 0.08 -0.04 -0.08 0.12 -0.16 0.00 0.00 -0.00 -0.06 0.04 -0.02 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.17 -0.17 -0.09 0.02 -0.02 0.04 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.09 0.01 -0.03 -0.01 -0.01 -0.01 0.08 0.02 0.23 0.07 0.06 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.02 0.05 0.02 0.06 -0.01 0.00 0.01 0.03 0.01 -0.01 0.06 -0.07 0.03 0.01 0.00 -0.03 -0.26 0.10 0.60 0.09 0.08 -0.16 0.03 0.00 -0.20 -0.20 -0.12 0.07 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.01 -0.00 0.10 -0.07 -0.14 -0.02 0.01 0.01 0.07 0.05 0.08 0.00 -0.00 0.00 0.01 -0.03 0.02 0.01 -0.08 -0.25 -0.02 0.09 -0.06 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.09 -0.05 0.00 -0.00 -0.00 -0.02 0.07 0.12 -0.03 -0.03 0.02 -0.00 -0.01 0.00 -0.01 0.07 -0.06 0.03 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.03 -0.04 0.09 -0.06 0.01 0.00 -0.00 -0.05 0.02 -0.03 -0.04 0.02 0.06 -0.00 -0.00 -0.00 0.06 0.05 0.01 0.01 -0.01 0.02 -0.03 -0.02 0.00 -0.02 0.04 0.04 0.78 -0.03 -0.20 0.00 0.00 -0.01 0.03 0.05 0.11 -0.02 -0.01 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.04 0.02 -0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 -0.07 0.13 0.24 0.04 -0.07 0.01 0.15 0.14 -0.04 -0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.04 0.01 -0.00 -0.11 0.12 0.25 -0.01 0.00 0.01 0.02 0.02 0.04 -0.01 0.01 0.01 0.07 0.05 -0.05 0.01 -0.03 -0.14 -0.00 -0.26 0.11 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.02 -0.04 0.06 0.11 -0.00 0.01 0.00 0.04 -0.17 -0.30 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.02 -0.07 0.07 -0.06 -0.01 0.04 0.00 0.01 -0.01 0.01 -0.05 0.07 0.14 -0.26 0.20 -0.01 0.00 0.00 0.10 -0.06 0.01 0.06 -0.00 -0.06 0.00 0.00 0.00 -0.15 -0.12 -0.02 -0.02 0.04 -0.05 -0.01 -0.00 -0.00 -0.02 0.04 0.03 0.34 -0.03 -0.08 -0.00 -0.00 0.01 -0.06 -0.10 -0.24 0.04 0.04 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.09 0.10 -0.07 0.03 -0.06 0.00 -0.01 0.01 0.02 -0.01 -0.08 -0.08 -0.06 -0.02 0.13 0.23 -0.05 -0.33 0.11 -0.07 -0.02 0.04 -0.03 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.03 -0.07 -0.15 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.04 -0.04 0.04 -0.00 -0.00 0.02 -0.04 0.40 -0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.04 -0.01 -0.07 -0.00 -0.01 0.02 0.12 -0.17 -0.32 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.03 0.01 0.00 -0.01 0.01 0.02 -0.00 -0.07 0.08 -0.03 0.15 -0.29 0.20 0.00 -0.00 -0.00 -0.03 0.02 -0.01 -0.04 -0.01 0.03 0.01 0.01 0.00 -0.37 -0.33 -0.13 0.01 0.04 -0.02 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.00 0.01 0.00 0.00 -0.01 0.02 0.05 0.10 -0.03 -0.03 0.01 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.05 -0.02 -0.05 -0.00 0.00 0.01 0.01 0.02 -0.01 0.05 -0.06 0.03 -0.00 -0.01 -0.01 0.05 0.06 -0.02 -0.06 -0.07 0.06 -0.17 0.03 0.24 0.12 0.12 -0.05 -0.06 0.06 0.03 -0.01 -0.02 0.02 0.04 -0.01 0.00 0.07 -0.13 -0.29 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.03 0.04 -0.03 0.00 0.00 -0.00 -0.00 -0.12 0.05 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 0.01 0.06 0.03 -0.09 -0.00 0.01 0.00 0.02 -0.09 -0.16 -0.00 -0.02 0.02 -0.00 -0.01 -0.00 0.07 0.23 -0.03 -0.09 0.01 0.02 -0.01 0.00 -0.00 0.11 -0.10 0.05 0.00 0.02 0.04 0.01 0.00 -0.00 -0.08 0.05 -0.02 -0.08 -0.05 0.04 -0.00 -0.01 0.00 0.15 0.14 0.07 -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.04 0.01 0.00 0.01 -0.00 -0.01 0.05 0.07 0.18 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.08 0.09 -0.06 0.01 -0.04 -0.01 -0.01 -0.01 0.00 -0.04 0.05 0.14 0.01 -0.03 -0.08 0.10 -0.03 -0.34 0.30 0.56 -0.18 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.03 -0.03 -0.06 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.02 -0.02 0.00 0.00 -0.01 0.03 -0.23 0.12 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.02 0.01 -0.01 -0.02 -0.12 0.27 0.49 0.02 -0.03 0.02 -0.00 -0.01 0.00 0.08 0.08 0.08 -0.12 0.08 -0.04 0.01 0.00 0.01 -0.13 0.21 -0.15 0.08 -0.16 0.10 0.00 0.00 0.00 -0.04 0.02 -0.02 0.02 -0.10 -0.08 0.01 0.02 -0.00 -0.33 -0.31 -0.14 0.03 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 0.04 0.07 -0.01 -0.02 -0.04 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.03 -0.00 -0.00 -0.02 0.19 -0.21 0.14 -0.03 0.11 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.04 -0.02 -0.03 0.00 0.08 -0.02 -0.16 0.10 0.15 -0.05 0.02 -0.03 -0.04 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.08 -0.01 -0.03 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 0.01 -0.08 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.12 -0.01 -0.19 0.00 -0.00 -0.00 -0.03 0.06 0.11 -0.08 0.12 -0.07 0.01 0.01 -0.01 -0.21 -0.05 -0.34 0.34 -0.37 0.21 0.00 0.00 0.00 -0.02 0.04 -0.03 0.02 -0.04 0.03 0.00 -0.02 -0.01 0.09 -0.05 0.08 -0.17 0.35 0.40 0.00 0.00 0.00 -0.07 -0.07 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.03 -0.01 0.01 -0.02 0.00 -0.01 -0.02 -0.10 -0.11 0.09 0.11 0.11 0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 -0.01 -0.04 -0.00 -0.00 -0.00 0.04 -0.04 0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.03 -0.00 0.05 -0.01 -0.09 0.04 0.08 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.01 -0.07 0.01 0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.10 -0.07 -0.01 -0.00 -0.01 0.17 0.06 0.27 -0.16 -0.35 0.37 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.00 0.27 -0.18 0.09 0.40 0.37 -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 0.02 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.03 0.11 0.12 0.34 -0.02 -0.02 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.04 0.00 0.01 0.00 -0.01 0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.24 0.18 0.40 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.03 -0.01 0.07 0.08 -0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 0.02 0.02 -0.00 -0.02 0.14 0.52 -0.09 -0.31 -0.13 0.21 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.00 -0.00 -0.11 0.08 -0.02 -0.33 -0.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.06 0.09 0.20 -0.04 -0.05 -0.02 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 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 0.05 -0.07 -0.13 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.05 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.05 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.05 -0.04 -0.03 -0.06 0.03 0.10 0.58 -0.17 0.26 0.30 -0.38 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.06 -0.05 0.01 0.33 0.40 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.04 -0.00 -0.08 0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -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 -0.01 -0.08 0.12 0.01 -0.00 0.00 -0.01 -0.03 -0.00 0.30 0.12 0.01 -0.04 -0.01 -0.01 0.37 -0.01 -0.14 -0.06 0.37 0.00 0.25 0.25 0.32 0.00 0.01 -0.00 -0.01 -0.11 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.01 0.24 0.14 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 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 -0.01 0.00 0.01 0.00 -0.01 0.01 0.00 -0.03 0.00 0.04 0.22 0.15 -0.07 0.24 -0.20 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.06 -0.10 -0.02 -0.00 0.00 0.03 -0.10 0.03 -0.04 -0.02 0.02 0.00 0.14 -0.12 0.11 0.00 -0.00 -0.00 -0.04 -0.30 0.43 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.12 0.05 0.00 0.03 0.01 0.01 -0.26 0.02 0.09 -0.02 0.15 -0.00 -0.17 -0.17 -0.22 0.01 0.04 -0.02 -0.06 -0.40 -0.15 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.00 -0.21 -0.12 0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.02 0.10 0.07 -0.03 0.11 -0.10 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.05 -0.01 0.07 -0.06 0.06 -0.01 0.00 0.00 0.00 -0.04 -0.03 0.03 -0.02 -0.03 -0.04 0.02 0.01 0.01 -0.13 -0.23 -0.04 -0.00 0.00 0.02 -0.24 0.07 -0.13 -0.01 0.02 0.00 -0.12 0.11 -0.09 -0.00 0.00 0.00 -0.02 -0.26 0.37 0.00 0.00 0.00 0.01 0.02 -0.00 -0.15 -0.06 0.00 -0.02 -0.01 -0.01 0.18 -0.01 -0.07 0.02 -0.20 -0.00 0.12 0.12 0.15 0.00 0.03 -0.01 -0.05 -0.34 -0.13 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.20 0.12 -0.02 0.02 0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -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 0.04 -0.01 -0.06 -0.32 -0.21 0.10 -0.37 0.30 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.05 -0.01 0.07 -0.06 0.07 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.01 -0.05 0.01 -0.00 0.01 0.04 -0.03 -0.00 0.12 -0.10 0.09 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 -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 -0.06 -0.02 0.06 0.02 0.03 0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.06 -0.41 0.20 0.62 0.18 -0.38 0.43 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.03 -0.04 0.05 -0.02 0.00 0.01 0.00 -0.06 -0.04 0.04 -0.02 -0.07 -0.05 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 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.11 -0.16 -0.01 0.00 -0.00 -0.02 -0.03 -0.00 0.33 0.14 0.04 -0.01 -0.00 -0.00 0.07 0.00 -0.03 -0.06 0.39 -0.01 0.06 0.05 0.07 -0.00 -0.01 0.01 0.02 0.14 0.06 0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 -0.22 -0.13 0.02 0.04 0.06 -0.04 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.02 -0.02 -0.11 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.04 -0.00 -0.06 -0.29 -0.19 0.08 -0.34 0.28 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.06 0.02 -0.07 0.06 -0.08 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.02 0.01 0.01 -0.13 -0.25 -0.04 0.00 -0.00 -0.03 -0.23 0.07 -0.11 0.04 -0.02 -0.00 -0.14 0.12 -0.09 -0.00 0.00 0.00 -0.01 0.07 -0.10 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.08 0.03 0.01 0.03 0.01 0.01 -0.29 0.02 0.11 -0.01 0.09 -0.00 -0.21 -0.19 -0.26 0.00 -0.01 0.00 0.02 0.09 0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.00 -0.01 0.50 0.29 -0.05 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 0.04 0.01 -0.03 -0.01 -0.04 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.02 0.01 -0.02 0.02 -0.00 0.01 -0.00 -0.01 -0.05 -0.03 0.01 -0.06 0.05 -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 -0.02 0.02 -0.02 0.00 -0.01 -0.01 -0.00 0.08 0.05 -0.05 0.04 0.07 0.07 0.02 0.01 0.01 -0.11 -0.21 -0.03 0.00 -0.00 -0.01 -0.20 0.06 -0.11 0.01 -0.00 0.00 0.31 -0.27 0.21 0.00 -0.00 -0.00 0.02 0.08 -0.13 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 0.02 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.06 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.02 0.11 0.04 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.03 -0.02 0.00 0.02 0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 -0.03 0.00 0.05 -0.04 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.05 -0.03 -0.03 -0.42 -0.13 0.40 -0.41 0.64 0.05 -0.00 -0.01 -0.00 0.04 0.04 -0.04 0.02 0.05 0.04 -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 -0.02 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.03 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.29 -0.43 0.29 -0.00 -0.00 -0.00 0.06 -0.01 0.10 0.02 0.01 -0.04 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.06 0.07 0.20 0.72 -0.03 0.06 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.05 -0.05 -0.00 -0.09 0.08 -0.00 -0.01 0.00 -0.06 0.12 -0.02 0.08 0.06 -0.04 0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 -0.01 0.00 -0.01 -0.03 -0.05 0.01 -0.02 0.03 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.04 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.05 0.08 -0.06 0.00 0.00 -0.00 0.02 -0.02 0.04 -0.02 -0.04 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.04 -0.14 -0.03 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.01 -0.35 0.68 -0.08 0.43 0.35 -0.21 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.05 0.05 -0.02 0.00 -0.01 -0.03 0.00 -0.01 0.04 0.02 -0.02 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.06 0.09 -0.02 0.00 -0.00 -0.02 -0.03 -0.00 0.29 0.12 0.03 0.01 0.00 0.00 -0.14 -0.00 0.05 -0.04 0.38 -0.01 -0.09 -0.10 -0.10 -0.00 0.01 -0.00 -0.02 -0.08 -0.03 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.03 0.02 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.02 0.21 0.00 -0.12 -0.03 -0.18 -0.18 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.03 0.01 -0.02 0.02 0.00 0.01 0.00 -0.00 -0.04 -0.03 -0.01 -0.05 0.04 0.00 0.01 -0.00 0.02 -0.07 -0.01 -0.04 -0.03 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.02 -0.00 0.00 0.01 0.00 -0.04 -0.04 0.04 -0.02 -0.05 -0.04 -0.03 -0.01 -0.01 0.20 0.37 0.06 0.00 -0.09 -0.24 0.41 -0.11 0.20 0.19 -0.16 -0.00 0.02 -0.02 0.01 -0.02 0.02 0.02 -0.00 0.05 -0.06 -0.04 0.01 -0.01 0.01 0.02 0.00 -0.17 -0.07 -0.02 -0.01 -0.00 -0.00 0.09 0.00 -0.03 0.02 -0.22 0.01 0.06 0.07 0.07 0.00 -0.00 0.00 0.01 0.05 0.02 0.00 0.00 0.00 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.04 -0.03 0.00 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 0.02 0.03 0.41 0.00 -0.23 -0.05 -0.35 -0.35 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.01 0.05 0.01 -0.03 0.03 0.00 -0.01 0.00 0.02 0.06 0.04 -0.03 0.09 -0.07 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.02 0.00 0.01 0.01 0.00 -0.07 -0.06 0.06 -0.03 -0.08 -0.06 0.02 0.01 0.01 -0.12 -0.22 -0.05 0.00 -0.12 -0.31 -0.23 0.07 -0.10 0.26 -0.20 -0.00 -0.03 0.02 -0.03 -0.01 0.01 0.01 -0.02 -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.00 -0.01 0.00 0.02 0.01 0.02 0.00 0.00 -0.01 0.01 -0.05 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.11 -0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.00 -0.02 -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 -0.01 -0.04 0.03 0.08 0.03 -0.05 0.07 0.00 -0.00 0.00 0.01 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 0.03 0.01 -0.03 0.02 -0.05 -0.01 -0.03 -0.05 -0.00 0.42 0.37 -0.37 0.16 0.52 0.39 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.05 -0.12 0.01 -0.00 0.01 0.11 -0.08 -0.00 -0.06 0.05 -0.04 0.03 -0.03 -0.03 -0.00 -0.01 0.02 0.07 -0.01 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -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 0.03 0.06 -0.02 0.00 0.00 0.00 -0.03 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.02 0.02 0.03 0.36 0.00 -0.20 -0.04 -0.32 -0.31 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.05 0.01 -0.03 0.03 -0.00 0.00 -0.00 -0.02 -0.03 -0.02 0.03 -0.06 0.04 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.04 0.04 -0.04 0.02 0.05 0.04 -0.00 -0.00 -0.00 0.02 0.05 0.03 -0.00 0.19 0.50 0.04 -0.01 0.01 -0.46 0.31 0.02 -0.02 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.67 -0.02 0.25 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.05 -0.03 -0.00 0.25 0.57 -0.17 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.04 -0.02 0.11 0.14 -0.07 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.05 -0.07 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.07 -0.00 0.00 0.00 0.06 -0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.10 0.00 -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 0.01 0.01 -0.01 -0.08 -0.10 0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.05 -0.03 -0.03 0.00 -0.03 0.38 0.09 0.63 0.48 -0.12 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.08 -0.30 -0.00 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.07 -0.03 -0.01 -0.00 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.07 -0.04 0.03 -0.03 -0.02 0.08 -0.28 0.15 -0.46 0.35 -0.20 -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 -0.02 -0.04 -0.14 0.48 0.49 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 0.02 -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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.06 -0.02 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 -0.01 -0.01 0.06 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.06 0.05 0.05 0.75 -0.26 -0.44 -0.09 -0.26 -0.26 -0.00 -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 0.09 -0.08 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.02 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.02 -0.05 -0.01 -0.06 0.21 -0.07 -0.10 0.22 0.50 0.56 -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 -0.04 0.02 0.33 -0.26 0.37 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.06 0.04 -0.03 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 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 -0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.04 -0.02 -0.29 0.12 0.17 -0.12 -0.30 -0.37 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.05 0.02 0.50 -0.33 0.51 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.04 -0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.07 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.02 0.02 0.83 0.36 -0.34 -0.05 0.03 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.12 -0.07 0.06 0.01 -0.00 0.00 0.04 0.13 0.00 -0.02 -0.02 -0.10 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.03 -0.00 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.08 -0.02 -0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.01 -0.01 0.02 -0.01 0.17 -0.28 0.19 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.04 0.08 0.07 -0.17 -0.04 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 0.03 -0.40 0.61 -0.44 0.05 -0.04 -0.03 -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 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.10 0.08 -0.12 0.00 0.00 0.00 -0.01 -0.07 -0.08 -0.02 -0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.01 0.01 0.02 0.00 0.01 0.01 0.05 0.02 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.02 -0.03 -0.00 -0.00 -0.26 0.06 0.18 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.03 -0.04 0.03 -0.38 0.61 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.08 -0.02 0.03 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.18 0.27 -0.20 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 0.04 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.06 0.05 -0.07 -0.00 -0.00 -0.00 0.01 0.04 0.05 0.05 0.03 -0.06 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.04 -0.00 0.00 0.00 0.00 -0.04 -0.05 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.13 -0.06 -0.01 -0.00 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.02 0.01 0.03 -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 -0.03 0.04 -0.03 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 -0.02 0.01 0.18 0.27 -0.08 0.02 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.04 -0.02 0.03 -0.07 0.18 0.57 0.68 -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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.11 0.06 -0.03 -0.00 0.00 -0.00 0.02 0.01 0.06 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.01 -0.06 -0.05 0.11 0.70 -0.30 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 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.04 0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.02 0.03 -0.02 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.05 0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.03 -0.01 0.01 0.00 0.01 -0.00 -0.07 -0.10 0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.03 -0.09 -0.11 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.14 -0.10 0.08 -0.13 0.08 -0.04 0.03 0.13 0.00 0.12 0.10 0.50 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 -0.09 -0.07 -0.05 -0.34 0.14 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.01 0.02 0.01 0.04 0.06 0.06 0.00 0.00 0.59 -0.13 -0.40 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.11 0.19 -0.13 -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 -0.03 -0.06 -0.05 -0.19 -0.04 0.06 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.04 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.06 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.05 0.04 -0.06 -0.00 -0.00 -0.00 0.00 0.03 0.04 0.02 0.01 -0.02 -0.01 -0.01 -0.00 0.12 -0.09 0.07 0.02 -0.02 0.00 0.05 0.23 0.00 0.07 0.06 0.28 0.00 -0.01 0.00 0.01 0.00 0.02 0.07 0.44 0.33 0.03 0.22 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 0.00 0.02 0.03 0.05 0.00 0.00 0.34 -0.08 -0.23 -0.00 -0.03 -0.02 -0.00 0.01 -0.06 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.07 0.12 -0.09 0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.02 0.08 0.02 -0.02 0.00 0.01 -0.00 -0.08 -0.11 0.03 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.09 0.14 -0.09 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 -0.01 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.01 0.05 -0.01 -0.25 -0.19 0.29 -0.00 0.00 0.00 -0.00 -0.03 -0.03 0.03 0.02 -0.03 0.01 -0.01 0.01 -0.23 0.16 -0.13 -0.04 0.03 -0.01 0.00 -0.00 0.00 -0.06 -0.05 -0.24 0.00 -0.01 0.00 -0.01 -0.01 -0.03 0.04 0.27 0.20 -0.04 -0.28 0.12 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.02 -0.05 -0.01 -0.00 -0.27 0.06 0.18 -0.00 -0.02 -0.01 0.00 0.00 -0.03 0.01 0.02 -0.00 -0.06 0.03 -0.04 -0.00 0.00 -0.00 0.04 -0.08 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.03 0.04 0.03 -0.34 -0.08 0.11 -0.00 -0.00 0.00 0.02 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.04 0.02 -0.02 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.01 0.05 -0.01 -0.30 -0.24 0.36 -0.00 0.00 0.00 -0.00 -0.04 -0.05 0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.09 -0.06 0.05 -0.04 0.02 -0.02 0.02 0.08 -0.00 0.10 0.09 0.44 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.06 0.05 0.02 0.10 -0.04 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 -0.00 0.04 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.05 -0.05 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.14 0.03 -0.05 -0.03 -0.04 0.02 0.47 0.71 -0.21 0.04 -0.03 0.05 0.00 -0.00 0.00 -0.03 0.05 -0.03 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.02 -0.06 -0.19 -0.24 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.04 -0.03 0.04 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.19 -0.11 0.05 0.01 0.04 0.00 0.00 0.01 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.07 0.45 0.34 -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 -0.02 -0.00 -0.00 -0.05 0.01 0.03 -0.00 -0.03 -0.02 -0.00 0.01 -0.06 -0.02 0.01 -0.01 0.26 -0.08 0.15 -0.00 0.00 -0.00 0.02 -0.04 0.03 -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 0.00 -0.00 0.01 0.00 -0.00 -0.18 -0.04 0.06 -0.00 -0.00 0.00 0.02 0.04 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.08 -0.12 0.08 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.06 0.03 -0.03 -0.01 0.00 0.00 -0.02 -0.01 0.03 0.01 -0.05 0.02 0.35 0.28 -0.42 -0.00 -0.00 -0.00 0.00 0.05 0.07 0.02 0.01 -0.03 0.01 -0.01 0.01 -0.20 0.13 -0.11 -0.05 0.03 -0.02 0.01 0.02 0.00 0.04 0.04 0.17 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.03 0.22 0.17 -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.05 0.01 0.04 -0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.00 0.01 -0.01 0.07 -0.02 0.04 -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 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.01 0.02 -0.03 -0.03 -0.01 0.67 0.15 -0.22 0.01 0.01 -0.00 -0.09 -0.14 0.04 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.06 0.10 -0.07 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.03 0.08 0.10 0.00 0.00 -0.00 -0.05 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.03 -0.05 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.04 0.02 -0.05 -0.02 -0.00 -0.01 0.26 -0.18 0.14 0.24 -0.14 0.05 0.04 0.19 0.00 0.04 0.05 0.21 0.00 0.00 -0.00 0.01 0.00 0.03 0.03 0.18 0.14 0.01 0.11 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.02 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.18 -0.06 0.11 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.01 0.00 0.01 0.00 0.02 0.00 -0.01 0.02 0.02 0.02 -0.25 -0.06 0.08 -0.00 -0.00 0.00 0.02 0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.03 0.01 0.00 -0.00 -0.13 -0.05 0.05 0.01 -0.01 -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 -0.00 0.01 0.02 0.08 0.04 -0.09 -0.03 0.03 -0.02 0.56 -0.39 0.31 -0.08 0.05 -0.01 -0.02 -0.02 -0.01 -0.09 -0.09 -0.41 0.00 0.00 -0.00 0.01 0.00 0.02 -0.00 -0.03 -0.02 0.01 0.04 -0.01 0.02 0.00 0.00 0.02 -0.03 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.28 -0.03 -0.02 -0.12 0.02 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.02 -0.07 -0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.02 0.03 0.01 0.00 -0.00 -0.11 -0.04 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 -0.02 -0.01 0.03 -0.01 -0.06 0.00 -0.09 0.04 -0.05 -0.04 0.03 -0.01 0.21 0.86 0.02 -0.05 -0.05 -0.24 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.03 -0.19 -0.15 -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.03 -0.05 0.01 -0.03 0.75 -0.23 0.43 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.01 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.03 -0.01 0.01 0.00 0.00 -0.00 -0.02 -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 0.00 -0.00 0.00 0.01 0.02 0.03 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.15 -0.12 0.18 0.00 0.00 0.00 -0.00 -0.05 -0.06 -0.04 -0.02 0.06 0.00 -0.01 0.00 -0.09 0.06 -0.05 0.16 -0.09 0.04 0.01 0.04 0.00 0.01 0.01 0.04 -0.00 -0.00 0.00 -0.05 0.03 -0.01 0.00 0.03 0.02 0.03 0.18 -0.07 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.15 0.04 -0.09 -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 0.02 -0.00 -0.01 0.04 0.07 0.06 -0.31 -0.07 0.10 0.00 0.01 -0.00 -0.07 -0.11 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.04 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.03 0.08 0.10 -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 0.03 0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.03 0.04 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.73 -0.42 0.20 -0.00 -0.00 -0.00 -0.03 0.00 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.05 -0.01 0.03 -0.00 0.00 -0.00 0.04 -0.08 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.06 0.12 0.10 0.04 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 -0.04 0.06 -0.04 -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 0.01 -0.00 -0.07 -0.06 0.08 -0.01 -0.04 -0.03 0.06 0.59 0.71 0.15 0.06 -0.20 0.00 -0.00 0.00 -0.03 0.02 -0.02 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.02 -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 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.16 0.02 0.01 0.05 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.05 0.08 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.04 -0.03 0.34 0.69 0.56 0.07 -0.00 -0.04 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.07 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.09 -0.11 -0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 0.03 -0.02 0.01 0.03 -0.00 0.01 0.00 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 -0.05 -0.01 -0.00 -0.07 0.11 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 0.91 0.09 0.07 -0.12 0.03 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 0.01 0.01 -0.05 -0.11 -0.09 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.06 -0.08 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 0.00 -0.00 -0.00 0.00 0.03 0.03 -0.03 -0.02 0.03 -0.00 -0.02 0.00 -0.02 0.01 -0.01 -0.02 0.01 -0.00 0.06 0.26 0.00 -0.01 -0.01 -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.09 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.05 -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 0.01 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 -0.01 0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.03 0.01 -0.06 0.04 0.18 0.18 -0.57 -0.32 0.68 -0.00 0.01 -0.00 0.09 -0.06 0.05 -0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.04 0.00 -0.03 -0.04 0.02 -0.68 0.73 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 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 0.19 0.50 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.05 0.03 0.04 -0.04 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.04 -0.05 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -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 -0.03 0.10 -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 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.05 -0.03 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 0.01 -0.35 0.91 -0.13 0.05 0.01 -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 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 -0.04 -0.07 -0.11 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.05 0.01 -0.04 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 -0.01 -0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.68 0.68 -0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.11 0.26 -0.02 0.00 0.00 0.00 -0.02 -0.03 -0.05 -0.04 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.03 -0.05 0.21 -0.52 0.77 0.01 0.05 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.04 0.00 -0.30 0.70 -0.05 0.01 0.02 0.03 -0.16 -0.31 -0.46 -0.08 -0.03 -0.00 0.04 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.06 0.15 -0.22 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.06 -0.06 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.03 0.00 -0.22 0.52 -0.04 -0.01 -0.03 -0.04 0.22 0.43 0.64 -0.08 -0.02 -0.00 -0.05 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -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 0.01 -0.03 0.07 -0.10 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 0.07 0.07 -0.02 -0.00 -0.00 -0.00 0.01 0.08 0.03 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 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.06 -0.02 -0.31 0.93 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.04 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 -0.09 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.02 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 0.00 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 -0.00 -0.03 0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.03 0.04 0.01 -0.03 0.05 0.63 -0.45 -0.61 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.03 -0.07 0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 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 46 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 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 1.00783 271.16630 5281.62065 7858.35410 9332.97699 0.99991 -0.01244 0.00503 0.01243 0.99992 0.00273 -0.00506 -0.00267 0.99998 asymmetric 1 0.01640 0.01102 0.00928 0.34170 0.22966 0.19337 1003513.2 41.94 45.25 53.36 55.91 61.10 67.40 75.00 84.47 90.72 98.24 101.76 105.77 112.37 116.42 132.49 142.01 164.36 207.30 219.82 239.69 249.71 251.71 268.05 272.75 276.24 292.99 312.87 319.41 322.03 329.86 341.74 353.66 357.31 366.71 368.94 375.01 376.00 392.61 399.51 401.25 423.16 429.36 437.78 449.73 458.04 475.64 483.58 527.66 574.74 597.07 636.93 653.14 667.72 683.47 732.82 736.92 765.08 770.96 809.68 825.65 834.39 900.53 910.79 915.36 949.58 961.54 976.14 995.23 1005.56 1018.10 1044.26 1049.62 1101.45 1121.51 1122.98 1145.81 1193.90 1198.53 1243.26 1286.62 1312.41 1321.26 1378.49 1481.64 1960.78 2296.25 2298.91 2307.70 2318.85 2326.92 2330.30 2340.84 2342.79 2352.90 2364.89 2370.98 2381.72 2399.65 2421.03 2487.79 2526.53 3515.82 3709.65 3997.66 4655.49 4685.00 4708.72 4750.06 4775.29 4829.96 4843.82 4853.49 4863.61 4908.27 4937.76 4980.40 5014.90 5023.21 5041.46 5085.86 5109.86 5121.08 5147.00 5486.19 5494.56 5502.45 5503.41 5508.30 5511.59 5513.38 5515.06 5515.82 0.382218 0.419366 0.420310 0.313582 -1147.289796 -1147.252648 -1147.251704 -1147.358432 263.156 127.581 224.628 0.000 0.000 0.000 0.889 2.981 42.692 0.889 2.981 34.315 261.379 121.619 147.622 1 0.593 1.984 5.886 2 0.594 1.983 5.736 3 0.594 1.982 5.409 4 0.594 1.981 5.316 5 0.595 1.980 5.141 6 0.595 1.979 4.946 7 0.596 1.977 4.735 8 0.596 1.974 4.500 9 0.597 1.972 4.359 10 0.598 1.969 4.202 11 0.598 1.968 4.133 12 0.599 1.966 4.057 13 0.599 1.964 3.938 14 0.600 1.962 3.869 15 0.602 1.955 3.615 16 0.604 1.950 3.480 17 0.607 1.938 3.196 18 0.616 1.909 2.749 19 0.619 1.900 2.637 20 0.624 1.884 2.474 21 0.627 1.875 2.397 22 0.627 1.873 2.382 23 0.632 1.859 2.264 24 0.633 1.854 2.232 25 0.634 1.851 2.209 26 0.639 1.835 2.100 27 0.646 1.814 1.980 28 0.648 1.808 1.943 29 0.649 1.805 1.928 30 0.652 1.796 1.885 31 0.656 1.783 1.821 32 0.660 1.770 1.760 33 0.662 1.766 1.742 34 0.665 1.755 1.697 35 0.666 1.752 1.686 36 0.669 1.745 1.657 37 0.669 1.744 1.653 38 0.676 1.723 1.578 39 0.679 1.715 1.548 40 0.679 1.713 1.541 41 0.689 1.685 1.450 42 0.692 1.677 1.426 43 0.695 1.666 1.393 44 0.701 1.650 1.349 45 0.705 1.638 1.319 46 0.713 1.614 1.257 47 0.717 1.603 1.231 48 0.740 1.541 1.093 49 0.766 1.471 0.965 50 0.778 1.438 0.909 51 0.802 1.377 0.818 52 0.812 1.352 0.784 53 0.822 1.330 0.754 54 0.832 1.305 0.724 55 0.864 1.229 0.635 56 0.867 1.223 0.628 57 0.887 1.180 0.583 58 0.891 1.171 0.574 59 0.918 1.112 0.518 60 0.930 1.088 0.497 61 0.937 1.075 0.485 0.371766e+32 31.570269 72.693232 0.300647e+17 16.478057 37.942128 0.100000e+01 0.000000 0.000000 0.175512e+09 8.244307 18.983219 0.704539e+07 6.847905 15.767884 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.2830 3.5526 1.2868 3.7890 -67.8941 -49.7122 -89.2808 -19.5412 15.3788 1.9531 1.0682 19.2502 -20.3184 -19.5412 15.3788 1.9531 -27.3343 84.5245 34.1663 60.5080 13.5540 -92.1946 -14.8097 0.0472 26.8773 2.6793 -3782.9966 -1446.6321 -1245.2216 -107.6689 -22.2677 -269.3445 21.2747 256.6109 6.1144 -555.7278 -626.0227 -459.2115 64.6661 55.3948 -112.6534 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1147.6720144 5.389E-9 1.05E-5 0.382218 0.4193661 -1147.2526482 -1147.2517041 -1147.3584322 10.3827823,11.9021969,-22.2849791,-12.7599457,-4.9452322,0.6565146 C01 [X(H31O15)] 1.4374582 -0.146839 -0.3666033 -1.1429228 -0.0088912 -0.1262453 0.0013624 -1.2395565 0.0052078 -0.1061112 0.0056956 -1.1323626 0.7681079 0.1782889 -0.3056031 0.1833899 0.4527224 -0.0724963 -0.3239563 -0.0758039 0.551736 0.985827 -0.1272607 0.2165688 -0.1809442 0.3721773 -0.0965967 0.2188201 -0.0695722 0.4892604 -0.7908452 -0.1516188 0.1381403 -0.1397959 -1.0518773 0.027034 0.1712582 0.0073923 -0.9251597 0.2837845 0.027625 -0.0151948 -0.0228076 0.388562 -0.0120066 -0.0425885 -0.0041035 0.4311591 -1.0538484 0.13257 -0.062429 0.1667469 -0.9584481 -0.2035103 -0.0462416 -0.2053612 -1.0869902 0.3800629 -0.0565932 0.0215823 -0.0761243 0.3329034 -0.0022808 -0.006891 -0.0362084 0.3943361 0.3476443 0.0550671 0.0228592 0.0762528 0.8344396 0.1569874 0.0284121 0.1612183 0.463871 0.4403792 -0.1617521 -0.1636674 -0.1506832 0.5170148 0.270909 -0.1469308 0.3056235 0.8990062 -1.0018456 -0.0331709 0.1367294 -0.0115169 -1.0645337 -0.0468866 0.0978902 -0.0257771 -0.9665206 0.3383201 0.0438011 -0.0768743 0.011357 0.4075091 0.0259815 -0.0219623 0.0310263 0.3589277 -1.0723172 0.1863351 0.0075311 0.1969856 -1.1632116 -0.1976247 -0.0053708 -0.2009275 -1.2110799 0.3757772 -0.0418976 -0.0197555 0.0004203 0.9586508 0.0813769 -0.0083723 0.0256138 0.3775707 -1.1090787 0.1788156 0.1283829 0.2028384 -0.962253 0.066202 0.1129809 0.0554343 -1.0479436 0.7547283 -0.3824636 0.1209099 -0.3594075 0.6925228 -0.1700175 0.1381981 -0.1974849 0.4513817 0.3916542 0.0064538 -0.0133619 -0.0103652 0.4190825 0.033238 0.0298373 0.0579561 0.3178011 -1.0825432 0.0241251 0.3332403 0.0352831 -1.4009293 -0.0318656 0.3147967 -0.0065298 -1.2054363 0.4720962 -0.1883674 -0.24156 -0.1821075 0.7310519 0.5973336 -0.2389207 0.6096087 1.2699008 1.2364474 0.4141445 -0.4379466 0.3996703 0.5356602 -0.2252106 -0.4364983 -0.228752 0.6330803 -1.1178776 0.0365318 -0.1155255 0.022214 -1.203054 -0.0369535 -0.1184738 -0.0407714 -0.9690997 0.7052818 0.1746282 -0.1262543 0.2004458 0.5167673 -0.1195532 -0.0812251 -0.0904339 0.4114449 0.4092534 0.1115028 0.1918351 0.0916121 0.6041061 0.286127 0.1588827 0.2647987 0.7719629 -1.0469668 0.094106 -0.1968942 0.078453 -1.2025745 0.0359993 -0.2144884 0.0356305 -0.7432842 0.9012703 0.1230704 0.299631 0.1282192 0.434287 0.1173846 0.2792315 0.1130078 0.5044989 0.4603926 -0.2820399 0.1233936 -0.2829659 1.4109568 -0.3358378 0.1311971 -0.3443165 0.4811373 -1.1835077 0.0825567 -0.0866292 0.0890437 -1.0775321 0.0397264 -0.1161379 0.0745401 -0.8712218 0.7315847 -0.3751566 0.0867461 -0.3728178 0.8561967 -0.0911019 0.0670044 -0.0705932 0.3210033 0.3989583 0.0227401 -0.0037889 0.0117428 0.4014048 0.0503242 0.0309542 -0.0039404 0.2892973 -1.098665 -0.1589461 0.104201 -0.158067 -1.0877636 -0.073416 0.0944856 -0.0808236 -0.9428857 0.3130623 0.055003 -0.0475989 0.0144124 0.3897487 0.0284988 -0.0059793 0.0204742 0.4003452 0.7490773 0.2733793 -0.2798436 0.2918938 0.566259 -0.1563916 -0.3225999 -0.1491267 0.5603572 -1.0560789 -0.3411521 0.1117016 -0.2935983 -0.9386623 -0.0915345 0.1099467 -0.1095841 -1.1128852 0.4293589 0.1748835 0.192816 0.1943648 0.6458997 0.3561523 0.2107086 0.3524581 0.8860183 0.3306099 0.0518768 -0.0123601 0.0186619 0.3763309 -0.0146683 -0.0475861 0.0081979 0.4220256 -0.9752701 -0.1815251 -0.0631334 -0.1719654 -1.006644 0.0640543 -0.0776525 0.0700472 -1.0377869 0.3743329 0.0350029 0.0048942 0.0507344 0.3670627 -0.0264645 0.0514888 -0.0588494 0.3643488 0.537602 0.0611082 0.3130353 0.0458392 0.3741061 -0.008935 0.30112 0.0135782 0.868265 -1.0272295 0.1238536 0.0197522 0.1301143 -1.0342614 0.0931071 -0.0032603 0.0995957 -1.0717801 0.6249759 0.1261024 -0.1986504 0.1237276 0.4923144 -0.0986147 -0.2541837 -0.1245593 0.5250412 0.4308793 0.0195692 0.1331246 0.0144279 0.4156463 0.0554247 0.1896686 0.0745561 0.7575176 -1.1661086 0.086484 -0.0910795 0.0809851 -1.1592052 0.0151688 -0.0840439 0.0197981 -1.2052081 0.4855316 -0.3346189 -0.0000418 -0.2867045 0.9007339 -0.0219651 0.0142351 -0.0478277 0.3906412 0.4528752 -0.1810355 -0.0460091 -0.2076144 0.8909362 0.1524677 -0.0256533 0.0943647 0.3821317 0.9647393 -0.0505559 0.1861898 -0.0913185 0.3297665 -0.0283713 0.1596895 -0.0197071 0.4563465 0.4718557 0.1593955 -0.1434811 0.188469 0.6197651 -0.337022 -0.1506506 -0.2904547 0.7043888 0.3786348 -0.0019751 -0.0193368 -0.0508635 0.3159219 -0.0593803 -0.0250276 -0.0191075 0.3948418 167.3803798|-0.8495259|167.4880554|-0.3871919|1.77243|162.9257552 0.000003826 0.000000907 -0.000000992 -0.000003905 0.000000154 -0.000003474 -0.000004722 -0.000004165 -0.000006280 -0.000003016 0.000002361 0.000006921 -0.000000797 -0.000011087 0.000010959 0.000006781 -0.000007100 -0.000003027 0.000002291 -0.000005272 0.000006457 0.000000058 -0.000015871 0.000009385 -0.000010553 -0.000004356 0.000018246 -0.000002943 -0.000004826 -0.000013037 0.000019841 -0.000003328 -0.000006430 -0.000008169 0.000009199 -0.000006329 0.000006755 -0.000008950 -0.000012163 0.000007750 -0.000008119 0.000009505 -0.000003805 -0.000005039 0.000002117 -0.000012224 0.000005089 -0.000002872 0.000011552 -0.000001645 -0.000004679 0.000001589 0.000016386 0.000003074 -0.000002267 -0.000004813 -0.000004775 -0.000017060 0.000006114 0.000001509 0.000008183 0.000002358 -0.000007469 -0.000003406 0.000013875 0.000011070 -0.000007147 -0.000025453 -0.000004043 -0.000005979 0.000018090 0.000001440 -0.000003613 0.000013841 0.000001199 0.000005673 0.000010297 -0.000003315 -0.000004821 -0.000010898 0.000003905 -0.000006706 0.000004353 -0.000002890 -0.000005971 -0.000001448 -0.000007249 -0.000015863 -0.000004002 0.000008843 -0.000009401 -0.000004666 0.000014291 0.000028464 0.000007258 0.000002169 -0.000008934 -0.000003740 -0.000008276 -0.000005899 -0.000006750 -0.000001954 0.000009383 0.000019105 -0.000004843 0.000010269 0.000017371 -0.000013849 -0.000002746 0.000002898 0.000001379 0.000042412 0.000000199 0.000038399 -0.000015228 0.000000930 -0.000019601 -0.000010709 0.000002287 -0.000021089 0.000003309 -0.000003678 0.000028729 0.000006155 0.000003019 -0.000011509 -0.000016632 -0.000006402 -0.000012028 0.000014002 0.000000713 -0.000001753 0.000005301 0.000002626 -0.000004422 -0.000001079 -0.000007820 0.000008750 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/water/CONF51/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 14H2OH3O CONF51 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1468.5959664051 46 46 46 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) -0.0490741937 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.281513 0.000000 1.740826 3.870993 0.000000 3.941433 6.408852 5.178532 0.000000 4.777248 7.328401 6.078910 0.965169 0.000000 4.087539 5.243354 5.485199 2.814557 3.250600 0.000000 5.007268 5.628812 6.323467 3.355625 3.645472 0.965099 0.000000 3.768217 5.932256 5.139958 0.978113 1.544402 1.841856 2.437223 0.000000 3.976290 5.033612 5.411956 3.594949 4.053273 0.986658 1.560588 2.634703 0.000000 4.540347 0.984394 4.439648 6.071064 6.946585 4.669899 4.922358 5.519099 4.511820 0.000000 5.363894 1.563923 5.128359 6.589566 7.449440 5.282332 5.411314 6.083913 5.227037 0.964926 0.000000 2.714027 3.820825 0.987859 5.895062 6.814654 6.244735 7.028059 5.901889 6.203418 4.515120 5.074125 0.000000 3.048179 2.991522 1.548752 6.255815 7.203450 6.200338 6.920360 6.130242 6.079711 3.787568 4.331955 0.981518 0.000000 4.142731 4.878148 5.465346 5.099242 5.607793 2.728638 3.185472 4.202349 1.749795 4.525824 5.366261 6.249279 5.985281 0.000000 4.289124 4.145254 5.352113 5.586585 6.191860 3.171531 3.533421 4.701525 2.280977 3.783151 4.611094 6.024789 5.615335 0.990230 0.000000 4.345028 7.426277 3.964498 5.384845 5.941621 7.356009 8.169958 6.005126 7.685983 7.799245 8.297130 4.109837 5.066616 8.339622 8.557977 0.000000 3.801134 4.967630 2.840674 5.112975 5.959462 6.358652 7.019927 5.463342 6.703637 5.334760 5.616010 2.546366 3.138212 7.372302 7.268557 3.081350 0.000000 3.210335 4.321351 1.938146 5.337996 6.237887 6.208039 6.925066 5.539183 6.404196 4.823333 5.209069 1.517893 2.139605 6.842972 6.682739 3.373921 1.033449 0.000000 3.769350 4.625862 3.160358 4.460508 5.319979 5.649242 6.229915 4.778296 6.083526 4.816534 5.044965 3.042826 3.442985 6.917868 6.812272 3.695789 1.026758 1.668953 0.000000 2.739752 4.899800 3.825531 5.647276 6.298172 4.515231 5.339052 5.091643 3.820462 5.105563 6.069916 4.656352 4.573988 2.829288 3.027275 6.841644 6.416015 5.662495 6.361365 0.000000 3.087062 4.836654 4.351941 5.342157 5.947372 3.802717 4.555905 4.656337 3.004560 4.855310 5.808491 5.192040 5.041632 1.865429 2.184162 7.330415 6.731934 6.053794 6.528994 0.978038 0.000000 1.764744 4.599117 2.986995 4.924947 5.633943 4.195697 5.091699 4.476702 3.683521 4.831092 5.775268 3.887465 3.935394 3.137210 3.348362 5.893029 5.491246 4.779600 5.450541 0.983552 1.543388 0.000000 4.065549 6.971958 3.827630 4.612259 5.193291 6.676485 7.440898 5.269448 7.092290 7.248784 7.705215 4.020086 4.909525 7.898238 8.109845 0.965897 2.575092 3.053008 2.979878 6.704602 7.079545 5.728239 0.000000 3.451171 6.774411 3.626013 3.835119 4.399882 5.908132 6.705248 4.472949 6.307805 6.982266 7.521148 4.054655 4.905497 7.133143 7.428728 1.555694 2.988872 3.297752 3.188048 6.015319 6.339589 5.047600 0.986623 0.000000 3.723021 5.727083 3.018480 4.807936 5.576802 6.411050 7.128258 5.288824 6.787764 6.061938 6.428368 2.946171 3.726341 7.515788 7.542084 2.104904 1.021752 1.652810 1.636370 6.428910 6.781611 5.462886 1.555732 2.067287 0.000000 3.970547 3.385902 3.988442 7.264798 8.086161 5.837587 6.470808 6.683702 5.159642 3.894092 4.747651 4.327191 3.716863 4.018330 3.455511 7.860655 6.525805 5.596435 6.521339 2.721763 3.019530 3.026299 7.717861 7.302004 6.919508 0.000000 3.361276 3.859207 3.724231 6.664412 7.439829 5.324237 6.036905 6.089754 4.621481 4.263584 5.189373 4.266781 3.852916 3.468080 3.127735 7.402459 6.391302 5.497654 6.383646 1.740130 2.152790 2.136085 7.273297 6.764101 6.649631 0.990567 0.000000 4.739825 4.184770 4.669000 8.153257 8.956630 6.712550 7.340668 7.575473 5.983959 4.738344 5.539697 4.944593 4.345959 4.693883 4.155646 8.484468 7.280506 6.311753 7.355693 3.210586 3.599694 3.661659 8.424259 8.027648 7.657580 0.965068 1.566852 0.000000 2.767941 6.596993 3.771905 2.718357 3.225106 4.617814 5.467677 3.213492 4.959971 6.663932 7.330999 4.530774 5.219901 5.807738 6.272614 3.160335 4.108656 4.166659 4.021450 4.930616 5.111930 4.034476 2.731835 1.748491 3.432877 6.713990 6.019048 7.458955 0.000000 3.377531 7.413773 4.481048 3.182882 3.454268 5.059549 5.908484 3.666734 5.347840 7.480245 8.187499 5.276262 5.987620 6.124356 6.698473 3.553029 4.991741 5.025249 4.965472 5.154568 5.355636 4.344795 3.307154 2.347383 4.245016 7.205642 6.428041 7.889866 0.965249 0.000000 3.025294 6.467384 4.196762 1.733971 2.266063 3.867746 4.652174 2.298911 4.348371 6.389142 7.017268 4.961615 5.531940 5.438367 5.931879 3.914933 4.364601 4.502016 4.039386 5.071972 5.064644 4.220397 3.305610 2.381825 3.816590 6.850622 6.173741 7.660402 0.988602 1.563029 0.000000 4.168192 4.514957 4.068596 3.747961 4.575797 4.755159 5.158737 3.975272 5.341778 4.382354 4.508795 4.149215 4.324149 6.438915 6.340838 4.856070 2.563625 3.041230 1.537374 6.536707 6.472646 5.693632 3.995956 3.953054 2.996461 6.781583 6.637823 7.698437 4.308760 5.254517 3.961138 0.000000 3.518003 3.870167 3.674089 3.323061 4.223375 3.877065 4.324991 3.334619 4.397974 3.662704 3.932851 3.919429 3.989675 5.454138 5.351522 5.118315 2.961378 3.136207 2.027181 5.689163 5.556658 4.895662 4.304066 4.062476 3.370897 5.987965 5.812939 6.927461 4.046836 4.981127 3.633524 0.992437 0.000000 4.462937 5.373088 4.604296 3.203648 3.923639 4.705311 5.083282 3.618288 5.415256 5.174559 5.331784 4.796427 5.092278 6.690842 6.721987 4.737965 3.010687 3.630612 2.061542 6.880159 6.779811 6.013437 3.802664 3.694089 3.151259 7.442678 7.197194 8.367345 4.001025 4.892226 3.543971 0.966282 1.558571 0.000000 3.980501 1.779855 3.048936 7.039849 7.987404 6.239956 6.819824 6.681361 5.944715 2.743785 3.283104 2.789087 1.823350 5.536523 4.904020 6.835478 4.680219 3.786402 4.716084 4.575652 4.865819 4.256856 6.601261 6.494883 5.381095 2.752415 3.308356 3.361400 6.510422 7.265907 6.648443 5.158526 4.635025 6.018460 0.000000 4.887151 2.354982 3.803598 7.981365 8.933205 7.165601 7.710150 7.634544 6.852477 3.327285 3.680378 3.370987 2.408235 6.360167 5.667076 7.467540 5.255601 4.367758 5.370464 5.351514 5.679035 5.105585 7.289063 7.267191 6.010673 3.215483 3.928116 3.606095 7.395420 8.148195 7.570080 5.882760 5.442646 6.780281 0.965681 0.000000 3.793019 2.175179 3.159983 7.071822 7.988115 6.045209 6.660693 6.630895 5.609530 3.008150 3.718340 3.148175 2.302061 4.948841 4.321780 7.105579 5.272120 4.334952 5.308760 3.822319 4.142550 3.666868 6.916745 6.693775 5.850536 1.774729 2.393593 2.392979 6.492803 7.161871 6.646093 5.702302 5.060540 6.494118 0.985584 1.556469 0.000000 4.861167 3.086250 5.391072 6.677783 7.406633 4.430828 4.693699 5.865345 3.726756 2.806836 3.552007 5.816265 5.158527 2.726108 1.741950 9.024861 7.261848 6.584213 6.849705 3.817893 3.298625 4.105770 8.595728 8.073572 7.743668 2.812319 3.026863 3.472483 7.222498 7.786822 6.961520 6.464755 5.536446 7.055615 3.948102 4.522286 3.411910 0.000000 4.511391 2.981706 4.891309 6.901129 7.672729 4.902886 5.317297 6.154878 4.175895 3.020989 3.844689 5.292058 4.618916 3.021079 2.150330 8.672789 7.021390 6.243644 6.742880 3.294222 2.999052 3.634592 8.336880 7.844910 7.487114 1.851479 2.181528 2.498073 7.067393 7.611598 6.940424 6.579956 5.680940 7.211978 3.387535 3.930174 2.685042 0.978830 0.000000 4.688889 2.275682 5.051913 6.358277 7.139680 4.289594 4.523580 5.602235 3.770977 1.854796 2.584213 5.382648 4.687737 3.199577 2.274490 8.636050 6.625308 6.003824 6.157119 4.224477 3.771894 4.295692 8.150561 7.699083 7.187111 3.105616 3.400769 3.880053 6.996957 7.656639 6.704278 5.713078 4.823783 6.359066 3.468994 4.066257 3.163302 0.977075 1.532838 0.000000 2.748367 3.043970 3.368420 3.372461 4.287135 2.757734 3.330537 2.934388 2.989032 2.738798 3.346738 3.867665 3.728677 3.811608 3.667695 5.827161 3.989203 3.737275 3.304498 4.276943 4.011653 3.631908 5.153160 4.681777 4.348472 4.634957 4.403764 5.596908 4.123237 4.945888 3.705702 2.675266 1.689019 3.129296 3.936391 4.849198 4.073435 3.965224 4.137581 3.374659 0.000000 3.297155 2.179121 3.631129 4.317097 5.208136 3.262062 3.686505 3.808895 3.319137 1.761778 2.400219 3.979095 3.596823 3.842311 3.447318 6.526604 4.383099 4.018855 3.734893 4.432962 4.145133 3.927986 5.893017 5.504129 4.912745 4.229499 4.196159 5.187256 5.039860 5.860304 4.674722 3.137598 2.227133 3.766788 3.374677 4.229640 3.553290 3.333952 3.552401 2.597069 0.982698 0.000000 0.980907 5.114947 2.297981 3.386867 4.153980 4.146391 5.081447 3.412259 4.197542 5.301626 6.074482 3.222453 3.754181 4.631521 4.933036 3.735793 3.751977 3.379133 3.721875 3.371959 3.670665 2.406276 3.428084 2.673659 3.428457 4.926219 4.260111 5.670926 1.799172 2.410855 2.175634 4.123776 3.591695 4.214467 4.878674 5.775380 4.754711 5.691029 5.412461 5.510601 3.130462 3.871654 0.000000 3.137288 3.710595 4.122446 2.957946 3.774133 1.793275 2.358149 2.297045 2.124820 3.230684 3.838660 4.733300 4.620139 3.254838 3.265112 6.367599 4.823360 4.628915 4.098904 4.271282 3.811882 3.732461 5.669473 5.074684 5.065348 4.976511 4.642544 5.928492 4.216332 4.933012 3.631524 3.279690 2.309363 3.512906 4.717630 5.637481 4.718478 3.909411 4.238334 3.449418 0.980791 1.581632 3.401304 0.000000 0.985864 3.648570 2.082938 3.513926 4.419221 3.406138 4.266198 3.232164 3.384780 3.758422 4.550515 2.907229 3.045716 3.776051 3.829716 4.774280 3.667801 3.170434 3.389190 3.078342 3.155805 2.210832 4.315461 3.734441 3.762934 3.990106 3.507753 4.870109 3.059481 3.797900 3.021301 3.483402 2.706508 3.837402 3.737937 4.691514 3.657755 4.341614 4.154309 4.036237 1.763237 2.358628 1.556578 2.210167 0.000000 5.039821 5.688925 6.389536 5.773452 6.171005 3.295546 3.574502 4.851295 2.327311 5.297864 6.096927 7.179951 6.902086 0.965474 1.562308 9.211609 8.332673 7.804250 7.869989 3.421928 2.456534 3.892604 8.782794 7.985898 8.456544 4.614193 4.081500 5.165891 6.578173 6.806860 6.187083 7.345105 6.360574 7.561054 6.364572 7.143244 5.721808 3.177868 3.534517 3.800523 4.733124 4.737005 5.486356 4.109778 4.723325 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.482,-.0445,-1.3662;1.8757,-1.8649,1.7093;-.7681,-1.7432,-1.1156;-2.1865,2.953,.5429;-2.5523,3.844,.4819;.5933,3.1596,.9329;.8808,3.6753,1.6963;-1.2187,3.0762,.6131;1.4057,2.974,.4047;2,-1.081,2.2916;1.9811,-1.405,3.2004;-.9245,-2.6544,-.7674;-.0841,-2.8767,-.3118;2.7679,2.3814,-.52;3.2182,1.6556,-.0191;-4.6397,-1.2305,-1.7973;-2.9705,-2.0986,.6429;-2.115,-2.3685,.1298;-2.713,-1.4019,1.3519;1.9152,.5858,-2.5334;2.2424,1.2898,-1.9386;1.0093,.399,-2.1992;-4.4645,-.7603,-.972;-3.9294,.0293,-1.2241;-3.578,-1.6145,-.0208;3.2049,-1.5182,-1.3855;2.7497,-.8019,-1.8962;3.8118,-1.9491,-1.9997;-2.855,1.367,-1.5611;-3.0628,1.908,-2.333;-2.6482,1.9978,-.8286;-2.3148,-.3185,2.3673;-1.4695,.0581,2.0088;-2.9575,.4015,2.3203;1.6183,-2.9665,.3353;1.9796,-3.8542,.4533;2.1917,-2.5304,-.3373;3.9081,.2285,.7034;3.8117,-.4112,-.0312;3.3107,-.1279,1.3895;-.0051,.491,1.287;.7348,-.0083,1.698;-1.3096,.4457,-1.5584;.2398,1.4406,1.3014;-.2844,.1605,-.4223;3.4494,3.0392,-.7068; 0.3417022 0.2296589 0.1933725 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= 516 RedAO= T EigKep= 9.66D-05 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 531 530 530 531 531 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.67201435368 -1147.67201435 1 1.143722204430e+03 -5.631070861905e+03 1.871112962027e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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. PT224.100S Tue Nov 5 18:10:43 2024 -19.17208 -19.13652 -19.13480 -19.13407 -19.13362 -19.13329 -19.13220 -19.13161 -19.13070 -19.13052 -19.12391 -19.12345 -19.12028 -19.11772 -19.11353 -1.07689 -1.03479 -1.03127 -1.02863 -1.02542 -1.02231 -1.02061 -1.01864 -1.01656 -1.01357 -1.00837 -1.00466 -1.00128 -0.99815 -0.99182 -0.57208 -0.56875 -0.55330 -0.54721 -0.54599 -0.54423 -0.54279 -0.54269 -0.54030 -0.53907 -0.53629 -0.53390 -0.52900 -0.52711 -0.52246 -0.52086 -0.44742 -0.44100 -0.43933 -0.43707 -0.42415 -0.41982 -0.41617 -0.40638 -0.40535 -0.39928 -0.39399 -0.38922 -0.38581 -0.38257 -0.36868 -0.33906 -0.33706 -0.33632 -0.33412 -0.33225 -0.33138 -0.33045 -0.32853 -0.32754 -0.32687 -0.32524 -0.31968 -0.31889 -0.31693 -0.00493 0.01912 0.02852 0.03886 0.05248 0.05758 0.06236 0.06865 0.07584 0.08972 0.09422 0.09673 0.10461 0.11070 0.11403 0.11601 0.11977 0.12790 0.12949 0.13774 0.14233 0.14565 0.14838 0.14972 0.15412 0.16232 0.16725 0.17228 0.17300 0.17374 0.18113 0.18565 0.18813 0.19205 0.19552 0.20048 0.20380 0.20909 0.21244 0.21367 0.21704 0.22016 0.22646 0.23077 0.23533 0.23709 0.24298 0.24957 0.25468 0.25588 0.25877 0.25965 0.26562 0.26927 0.27270 0.27451 0.27791 0.27895 0.28048 0.28276 0.29073 0.29499 0.29539 0.29703 0.29913 0.30442 0.30635 0.31198 0.31392 0.31790 0.32798 0.33273 0.33543 0.34796 0.36202 0.39087 0.39228 0.40212 0.42132 0.42456 0.42849 0.43920 0.45258 0.45594 0.45723 0.46814 0.47228 0.47842 0.49821 0.50225 0.51070 0.52347 0.52615 0.53157 0.53861 0.54245 0.54762 0.55617 0.55899 0.56071 0.56585 0.57729 0.58247 0.59011 0.59891 0.60328 0.60586 0.61075 0.62244 0.62677 0.63935 0.64790 0.65300 0.66373 0.67254 0.68045 0.68343 0.69959 0.70431 0.71314 0.72795 0.75505 0.94311 0.94469 0.95273 0.96219 0.96567 0.97318 0.97756 0.98031 0.98739 0.99152 1.00202 1.00608 1.01159 1.01647 1.02264 1.02507 1.03151 1.04442 1.04826 1.05115 1.05648 1.06390 1.07095 1.07877 1.08018 1.08719 1.09429 1.09806 1.10145 1.10354 1.10806 1.11345 1.11733 1.12445 1.13119 1.13745 1.14419 1.14692 1.15767 1.15955 1.16724 1.18132 1.18605 1.20265 1.21405 1.21700 1.24055 1.24288 1.25328 1.26168 1.27319 1.28135 1.29105 1.29877 1.30496 1.31435 1.31845 1.32557 1.33844 1.34060 1.34870 1.35001 1.35598 1.35676 1.35920 1.37766 1.38865 1.39396 1.40170 1.41578 1.42084 1.42468 1.43194 1.43770 1.45957 1.46693 1.47385 1.47704 1.48483 1.49429 1.51152 1.52201 1.52775 1.53656 1.53886 1.54837 1.55403 1.55545 1.57651 1.58218 1.58939 1.60000 1.60233 1.61207 1.61646 1.62474 1.62707 1.64514 1.65022 1.65423 1.65718 1.66524 1.67190 1.69321 1.69856 1.71834 1.72376 1.73480 1.74898 1.76206 1.76738 1.79139 1.79622 1.80176 1.82080 1.83247 1.84161 1.84467 1.86317 1.88658 1.91780 2.01519 2.02868 2.02965 2.03256 2.04007 2.04134 2.04773 2.05139 2.05598 2.19133 2.21516 2.24210 2.25194 2.26047 2.26858 2.28314 2.29122 2.30889 2.32171 2.33016 2.34639 2.34800 2.35926 2.37843 2.38748 2.40394 2.41067 2.42472 2.44238 2.47202 2.49238 2.51626 2.55716 2.56147 2.56432 2.57938 2.58676 2.60366 2.60973 2.62929 2.64186 2.68230 2.69145 2.70178 2.70968 2.71072 2.72825 2.73430 2.73532 2.75399 2.76112 2.77327 2.78507 2.79724 2.80368 2.82189 2.82831 2.84220 2.84539 2.86059 2.88810 2.90458 2.93762 3.07423 3.07701 3.08467 3.08640 3.09623 3.10181 3.10495 3.10597 3.10855 3.11636 3.12189 3.12923 3.13288 3.13558 3.14040 3.14425 3.14702 3.14960 3.15310 3.15575 3.15878 3.16193 3.17765 3.18440 3.19598 3.20396 3.21456 3.21554 3.28369 3.28942 3.29326 3.30007 3.30741 3.30963 3.31055 3.31549 3.32505 3.32655 3.32797 3.33434 3.34257 3.34933 3.37571 3.39333 3.52433 3.67830 3.68360 3.69253 3.70538 3.71064 3.71372 3.71834 3.72601 3.72690 3.73574 3.74183 3.76194 3.77366 3.78865 3.86912 3.88302 3.90335 3.90672 3.91955 3.92353 3.92627 3.92975 3.93676 3.93972 3.94407 3.95283 3.96421 3.98027 3.99461 4.02178 4.96143 4.98362 4.99919 5.00174 5.02226 5.02974 5.03961 5.05302 5.05399 5.06680 5.06951 5.07841 5.14821 5.16323 5.20603 5.36586 5.37380 5.39618 5.41703 5.43040 5.44465 5.44994 5.45635 5.46930 5.47348 5.49143 5.50253 5.52808 5.55355 5.64471 5.65750 5.65895 5.66259 5.66314 5.67091 5.67340 5.67711 5.68909 5.69588 5.70974 5.72699 5.73279 5.75615 5.77223 5.78436 49.85924 49.88578 49.88864 49.89564 49.90223 49.90869 49.91770 49.91970 49.92864 49.93727 49.93992 49.94699 49.96690 49.97904 49.98913 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 46 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 H -0.798609 0.394537 0.364778 -0.758228 0.350098 -0.780570 0.336698 0.426731 0.435345 -0.762265 0.358888 -0.759604 0.401536 -0.751711 0.413239 0.322848 -0.647895 0.487054 0.496656 -0.783561 0.378974 0.400727 -0.721572 0.426645 0.480243 -0.770969 0.421635 0.349401 -0.757112 0.343112 0.424278 -0.701428 0.407448 0.314468 -0.723245 0.342145 0.407683 -0.718510 0.363741 0.365830 -0.833537 0.460826 0.438865 0.421130 0.389855 0.343400 1.00000 -0.2830 3.5526 1.2868 3.7890 -67.8941 -49.7122 -89.2808 -19.5412 15.3788 1.9531 1.0683 19.2501 -20.3184 -19.5412 15.3788 1.9531 -27.3343 84.5247 34.1662 60.5079 13.5541 -92.1946 -14.8098 0.0472 26.8773 2.6793 -3782.9974 -1446.6321 -1245.2221 -107.6684 -22.2677 -269.3440 21.2749 256.6106 6.1147 -555.7280 -626.0229 -459.2116 64.6662 55.3946 -112.6532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF51 water 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.6720144 RMSD=8.455e-09 Dipole=1.4374603,-0.146837,-0.3666038 Quadrupole=10.3827806,11.9022107,-22.2849913,-12.7599296,-4.9452276,0.6565183 PG=C01 [X(H31O15)] 0 -0.3424924409 -1.0324331111 0.9595515215 0 -1.2551561725 2.7895357737 -0.7407277164 0 -1.9927187635 -0.8199573252 0.4476102359 0 2.6892127706 -2.2356817812 -1.2531057302 0 3.497955716 -2.7607278572 -1.2956760783 0 3.3333829537 0.3047564779 -0.2269737383 0 4.0101538903 0.7998771922 -0.7047324395 0 2.9519093436 -1.3917968064 -0.8341137303 0 3.1679931374 0.8018432576 0.6091158423 0 -0.3709846904 3.0058897335 -1.1155112656 0 -0.5282954614 3.4732047968 -1.9449395508 0 -2.8402960391 -0.610252113 -0.0144528111 0 -2.8632815252 0.3709493601 -0.0240832128 0 2.6093427295 1.6741784086 2.0193372025 0 2.0510988992 2.4411257801 1.7352405249 0 -2.1340179193 -4.5844029189 -0.7877945259 0 -2.3233548792 -1.8429252508 -2.1817707166 0 -2.5625619577 -1.2846311985 -1.3456461987 0 -1.4838404225 -1.4355729152 -2.6101542799 0 0.3872264192 0.375169902 3.1939200591 0 1.2230388858 0.7888110875 2.8991728703 0 0.1425849449 -0.2163613648 2.4471831067 0 -1.5057424728 -4.1487084181 -1.3780468728 0 -0.7086943883 -3.9622445837 -0.8272558353 0 -2.0507838692 -2.7716120084 -1.8543222757 0 -1.287246925 2.4447626848 2.627422425 0 -0.7405963624 1.6710417087 2.9168227546 0 -1.7346488037 2.7743335922 3.4164538284 0 0.6800850506 -3.4597539353 0.1087017549 0 1.0428467697 -4.104148211 0.7290778875 0 1.4528019881 -3.0719591233 -0.3707323762 0 -0.1940502119 -0.8439686528 -3.2017311204 0 0.2231624032 -0.3545497921 -2.4458643565 0 0.4131996732 -1.5672225919 -3.4063090659 0 -2.6074014259 2.1583842661 0.2293048027 0 -3.4033959541 2.7050598657 0.2204549916 0 -2.224398343 2.256280883 1.1321342928 0 0.8806027342 3.6592505578 1.3103858185 0 0.1137375241 3.3677638336 1.8442967884 0 0.5744855025 3.5306904937 0.3914520957 0 0.7139752894 0.4915892978 -1.0689336742 0 0.3995383986 1.4215437834 -1.1137594413 0 -0.0099209957 -1.9356981712 0.7706427082 0 1.6752663773 0.5173496865 -0.8760414099 0 0.0511841327 -0.4690755345 0.252744781 0 3.3091800498 2.0440445773 2.5721178496 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/water/CONF51/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 14H2OH3O CONF51 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1468.5959664051 46 46 46 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) -0.0490741937 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.281513 0.000000 1.740826 3.870993 0.000000 3.941433 6.408852 5.178532 0.000000 4.777248 7.328401 6.078910 0.965169 0.000000 4.087539 5.243354 5.485199 2.814557 3.250600 0.000000 5.007268 5.628812 6.323467 3.355625 3.645472 0.965099 0.000000 3.768217 5.932256 5.139958 0.978113 1.544402 1.841856 2.437223 0.000000 3.976290 5.033612 5.411956 3.594949 4.053273 0.986658 1.560588 2.634703 0.000000 4.540347 0.984394 4.439648 6.071064 6.946585 4.669899 4.922358 5.519099 4.511820 0.000000 5.363894 1.563923 5.128359 6.589566 7.449440 5.282332 5.411314 6.083913 5.227037 0.964926 0.000000 2.714027 3.820825 0.987859 5.895062 6.814654 6.244735 7.028059 5.901889 6.203418 4.515120 5.074125 0.000000 3.048179 2.991522 1.548752 6.255815 7.203450 6.200338 6.920360 6.130242 6.079711 3.787568 4.331955 0.981518 0.000000 4.142731 4.878148 5.465346 5.099242 5.607793 2.728638 3.185472 4.202349 1.749795 4.525824 5.366261 6.249279 5.985281 0.000000 4.289124 4.145254 5.352113 5.586585 6.191860 3.171531 3.533421 4.701525 2.280977 3.783151 4.611094 6.024789 5.615335 0.990230 0.000000 4.345028 7.426277 3.964498 5.384845 5.941621 7.356009 8.169958 6.005126 7.685983 7.799245 8.297130 4.109837 5.066616 8.339622 8.557977 0.000000 3.801134 4.967630 2.840674 5.112975 5.959462 6.358652 7.019927 5.463342 6.703637 5.334760 5.616010 2.546366 3.138212 7.372302 7.268557 3.081350 0.000000 3.210335 4.321351 1.938146 5.337996 6.237887 6.208039 6.925066 5.539183 6.404196 4.823333 5.209069 1.517893 2.139605 6.842972 6.682739 3.373921 1.033449 0.000000 3.769350 4.625862 3.160358 4.460508 5.319979 5.649242 6.229915 4.778296 6.083526 4.816534 5.044965 3.042826 3.442985 6.917868 6.812272 3.695789 1.026758 1.668953 0.000000 2.739752 4.899800 3.825531 5.647276 6.298172 4.515231 5.339052 5.091643 3.820462 5.105563 6.069916 4.656352 4.573988 2.829288 3.027275 6.841644 6.416015 5.662495 6.361365 0.000000 3.087062 4.836654 4.351941 5.342157 5.947372 3.802717 4.555905 4.656337 3.004560 4.855310 5.808491 5.192040 5.041632 1.865429 2.184162 7.330415 6.731934 6.053794 6.528994 0.978038 0.000000 1.764744 4.599117 2.986995 4.924947 5.633943 4.195697 5.091699 4.476702 3.683521 4.831092 5.775268 3.887465 3.935394 3.137210 3.348362 5.893029 5.491246 4.779600 5.450541 0.983552 1.543388 0.000000 4.065549 6.971958 3.827630 4.612259 5.193291 6.676485 7.440898 5.269448 7.092290 7.248784 7.705215 4.020086 4.909525 7.898238 8.109845 0.965897 2.575092 3.053008 2.979878 6.704602 7.079545 5.728239 0.000000 3.451171 6.774411 3.626013 3.835119 4.399882 5.908132 6.705248 4.472949 6.307805 6.982266 7.521148 4.054655 4.905497 7.133143 7.428728 1.555694 2.988872 3.297752 3.188048 6.015319 6.339589 5.047600 0.986623 0.000000 3.723021 5.727083 3.018480 4.807936 5.576802 6.411050 7.128258 5.288824 6.787764 6.061938 6.428368 2.946171 3.726341 7.515788 7.542084 2.104904 1.021752 1.652810 1.636370 6.428910 6.781611 5.462886 1.555732 2.067287 0.000000 3.970547 3.385902 3.988442 7.264798 8.086161 5.837587 6.470808 6.683702 5.159642 3.894092 4.747651 4.327191 3.716863 4.018330 3.455511 7.860655 6.525805 5.596435 6.521339 2.721763 3.019530 3.026299 7.717861 7.302004 6.919508 0.000000 3.361276 3.859207 3.724231 6.664412 7.439829 5.324237 6.036905 6.089754 4.621481 4.263584 5.189373 4.266781 3.852916 3.468080 3.127735 7.402459 6.391302 5.497654 6.383646 1.740130 2.152790 2.136085 7.273297 6.764101 6.649631 0.990567 0.000000 4.739825 4.184770 4.669000 8.153257 8.956630 6.712550 7.340668 7.575473 5.983959 4.738344 5.539697 4.944593 4.345959 4.693883 4.155646 8.484468 7.280506 6.311753 7.355693 3.210586 3.599694 3.661659 8.424259 8.027648 7.657580 0.965068 1.566852 0.000000 2.767941 6.596993 3.771905 2.718357 3.225106 4.617814 5.467677 3.213492 4.959971 6.663932 7.330999 4.530774 5.219901 5.807738 6.272614 3.160335 4.108656 4.166659 4.021450 4.930616 5.111930 4.034476 2.731835 1.748491 3.432877 6.713990 6.019048 7.458955 0.000000 3.377531 7.413773 4.481048 3.182882 3.454268 5.059549 5.908484 3.666734 5.347840 7.480245 8.187499 5.276262 5.987620 6.124356 6.698473 3.553029 4.991741 5.025249 4.965472 5.154568 5.355636 4.344795 3.307154 2.347383 4.245016 7.205642 6.428041 7.889866 0.965249 0.000000 3.025294 6.467384 4.196762 1.733971 2.266063 3.867746 4.652174 2.298911 4.348371 6.389142 7.017268 4.961615 5.531940 5.438367 5.931879 3.914933 4.364601 4.502016 4.039386 5.071972 5.064644 4.220397 3.305610 2.381825 3.816590 6.850622 6.173741 7.660402 0.988602 1.563029 0.000000 4.168192 4.514957 4.068596 3.747961 4.575797 4.755159 5.158737 3.975272 5.341778 4.382354 4.508795 4.149215 4.324149 6.438915 6.340838 4.856070 2.563625 3.041230 1.537374 6.536707 6.472646 5.693632 3.995956 3.953054 2.996461 6.781583 6.637823 7.698437 4.308760 5.254517 3.961138 0.000000 3.518003 3.870167 3.674089 3.323061 4.223375 3.877065 4.324991 3.334619 4.397974 3.662704 3.932851 3.919429 3.989675 5.454138 5.351522 5.118315 2.961378 3.136207 2.027181 5.689163 5.556658 4.895662 4.304066 4.062476 3.370897 5.987965 5.812939 6.927461 4.046836 4.981127 3.633524 0.992437 0.000000 4.462937 5.373088 4.604296 3.203648 3.923639 4.705311 5.083282 3.618288 5.415256 5.174559 5.331784 4.796427 5.092278 6.690842 6.721987 4.737965 3.010687 3.630612 2.061542 6.880159 6.779811 6.013437 3.802664 3.694089 3.151259 7.442678 7.197194 8.367345 4.001025 4.892226 3.543971 0.966282 1.558571 0.000000 3.980501 1.779855 3.048936 7.039849 7.987404 6.239956 6.819824 6.681361 5.944715 2.743785 3.283104 2.789087 1.823350 5.536523 4.904020 6.835478 4.680219 3.786402 4.716084 4.575652 4.865819 4.256856 6.601261 6.494883 5.381095 2.752415 3.308356 3.361400 6.510422 7.265907 6.648443 5.158526 4.635025 6.018460 0.000000 4.887151 2.354982 3.803598 7.981365 8.933205 7.165601 7.710150 7.634544 6.852477 3.327285 3.680378 3.370987 2.408235 6.360167 5.667076 7.467540 5.255601 4.367758 5.370464 5.351514 5.679035 5.105585 7.289063 7.267191 6.010673 3.215483 3.928116 3.606095 7.395420 8.148195 7.570080 5.882760 5.442646 6.780281 0.965681 0.000000 3.793019 2.175179 3.159983 7.071822 7.988115 6.045209 6.660693 6.630895 5.609530 3.008150 3.718340 3.148175 2.302061 4.948841 4.321780 7.105579 5.272120 4.334952 5.308760 3.822319 4.142550 3.666868 6.916745 6.693775 5.850536 1.774729 2.393593 2.392979 6.492803 7.161871 6.646093 5.702302 5.060540 6.494118 0.985584 1.556469 0.000000 4.861167 3.086250 5.391072 6.677783 7.406633 4.430828 4.693699 5.865345 3.726756 2.806836 3.552007 5.816265 5.158527 2.726108 1.741950 9.024861 7.261848 6.584213 6.849705 3.817893 3.298625 4.105770 8.595728 8.073572 7.743668 2.812319 3.026863 3.472483 7.222498 7.786822 6.961520 6.464755 5.536446 7.055615 3.948102 4.522286 3.411910 0.000000 4.511391 2.981706 4.891309 6.901129 7.672729 4.902886 5.317297 6.154878 4.175895 3.020989 3.844689 5.292058 4.618916 3.021079 2.150330 8.672789 7.021390 6.243644 6.742880 3.294222 2.999052 3.634592 8.336880 7.844910 7.487114 1.851479 2.181528 2.498073 7.067393 7.611598 6.940424 6.579956 5.680940 7.211978 3.387535 3.930174 2.685042 0.978830 0.000000 4.688889 2.275682 5.051913 6.358277 7.139680 4.289594 4.523580 5.602235 3.770977 1.854796 2.584213 5.382648 4.687737 3.199577 2.274490 8.636050 6.625308 6.003824 6.157119 4.224477 3.771894 4.295692 8.150561 7.699083 7.187111 3.105616 3.400769 3.880053 6.996957 7.656639 6.704278 5.713078 4.823783 6.359066 3.468994 4.066257 3.163302 0.977075 1.532838 0.000000 2.748367 3.043970 3.368420 3.372461 4.287135 2.757734 3.330537 2.934388 2.989032 2.738798 3.346738 3.867665 3.728677 3.811608 3.667695 5.827161 3.989203 3.737275 3.304498 4.276943 4.011653 3.631908 5.153160 4.681777 4.348472 4.634957 4.403764 5.596908 4.123237 4.945888 3.705702 2.675266 1.689019 3.129296 3.936391 4.849198 4.073435 3.965224 4.137581 3.374659 0.000000 3.297155 2.179121 3.631129 4.317097 5.208136 3.262062 3.686505 3.808895 3.319137 1.761778 2.400219 3.979095 3.596823 3.842311 3.447318 6.526604 4.383099 4.018855 3.734893 4.432962 4.145133 3.927986 5.893017 5.504129 4.912745 4.229499 4.196159 5.187256 5.039860 5.860304 4.674722 3.137598 2.227133 3.766788 3.374677 4.229640 3.553290 3.333952 3.552401 2.597069 0.982698 0.000000 0.980907 5.114947 2.297981 3.386867 4.153980 4.146391 5.081447 3.412259 4.197542 5.301626 6.074482 3.222453 3.754181 4.631521 4.933036 3.735793 3.751977 3.379133 3.721875 3.371959 3.670665 2.406276 3.428084 2.673659 3.428457 4.926219 4.260111 5.670926 1.799172 2.410855 2.175634 4.123776 3.591695 4.214467 4.878674 5.775380 4.754711 5.691029 5.412461 5.510601 3.130462 3.871654 0.000000 3.137288 3.710595 4.122446 2.957946 3.774133 1.793275 2.358149 2.297045 2.124820 3.230684 3.838660 4.733300 4.620139 3.254838 3.265112 6.367599 4.823360 4.628915 4.098904 4.271282 3.811882 3.732461 5.669473 5.074684 5.065348 4.976511 4.642544 5.928492 4.216332 4.933012 3.631524 3.279690 2.309363 3.512906 4.717630 5.637481 4.718478 3.909411 4.238334 3.449418 0.980791 1.581632 3.401304 0.000000 0.985864 3.648570 2.082938 3.513926 4.419221 3.406138 4.266198 3.232164 3.384780 3.758422 4.550515 2.907229 3.045716 3.776051 3.829716 4.774280 3.667801 3.170434 3.389190 3.078342 3.155805 2.210832 4.315461 3.734441 3.762934 3.990106 3.507753 4.870109 3.059481 3.797900 3.021301 3.483402 2.706508 3.837402 3.737937 4.691514 3.657755 4.341614 4.154309 4.036237 1.763237 2.358628 1.556578 2.210167 0.000000 5.039821 5.688925 6.389536 5.773452 6.171005 3.295546 3.574502 4.851295 2.327311 5.297864 6.096927 7.179951 6.902086 0.965474 1.562308 9.211609 8.332673 7.804250 7.869989 3.421928 2.456534 3.892604 8.782794 7.985898 8.456544 4.614193 4.081500 5.165891 6.578173 6.806860 6.187083 7.345105 6.360574 7.561054 6.364572 7.143244 5.721808 3.177868 3.534517 3.800523 4.733124 4.737005 5.486356 4.109778 4.723325 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.482,-.0445,-1.3662;1.8757,-1.8649,1.7093;-.7681,-1.7432,-1.1156;-2.1865,2.953,.5429;-2.5523,3.844,.4819;.5933,3.1596,.9329;.8808,3.6753,1.6963;-1.2187,3.0762,.6131;1.4057,2.974,.4047;2,-1.081,2.2916;1.9811,-1.405,3.2004;-.9245,-2.6544,-.7674;-.0841,-2.8767,-.3118;2.7679,2.3814,-.52;3.2182,1.6556,-.0191;-4.6397,-1.2305,-1.7973;-2.9705,-2.0986,.6429;-2.115,-2.3685,.1298;-2.713,-1.4019,1.3519;1.9152,.5858,-2.5334;2.2424,1.2898,-1.9386;1.0093,.399,-2.1992;-4.4645,-.7603,-.972;-3.9294,.0293,-1.2241;-3.578,-1.6145,-.0208;3.2049,-1.5182,-1.3855;2.7497,-.8019,-1.8962;3.8118,-1.9491,-1.9997;-2.855,1.367,-1.5611;-3.0628,1.908,-2.333;-2.6482,1.9978,-.8286;-2.3148,-.3185,2.3673;-1.4695,.0581,2.0088;-2.9575,.4015,2.3203;1.6183,-2.9665,.3353;1.9796,-3.8542,.4533;2.1917,-2.5304,-.3373;3.9081,.2285,.7034;3.8117,-.4112,-.0312;3.3107,-.1279,1.3895;-.0051,.491,1.287;.7348,-.0083,1.698;-1.3096,.4457,-1.5584;.2398,1.4406,1.3014;-.2844,.1605,-.4223;3.4494,3.0392,-.7068; 0.3417022 0.2296589 0.1933725 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= 516 RedAO= T EigKep= 9.66D-05 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 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= 531 530 530 531 531 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.67201435368 -1147.67201435 1 1.143722204430e+03 -5.631070861905e+03 1.871112962027e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 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. PT16333.400S Tue Nov 5 18:49:42 2024 -19.17208 -19.13652 -19.13480 -19.13407 -19.13362 -19.13329 -19.13220 -19.13161 -19.13070 -19.13052 -19.12391 -19.12345 -19.12028 -19.11772 -19.11353 -1.07689 -1.03479 -1.03127 -1.02863 -1.02542 -1.02231 -1.02061 -1.01864 -1.01656 -1.01357 -1.00837 -1.00466 -1.00128 -0.99815 -0.99182 -0.57208 -0.56875 -0.55330 -0.54721 -0.54599 -0.54423 -0.54279 -0.54269 -0.54030 -0.53907 -0.53629 -0.53390 -0.52900 -0.52711 -0.52246 -0.52086 -0.44742 -0.44100 -0.43933 -0.43707 -0.42415 -0.41982 -0.41617 -0.40638 -0.40535 -0.39928 -0.39399 -0.38922 -0.38581 -0.38257 -0.36868 -0.33906 -0.33706 -0.33632 -0.33412 -0.33225 -0.33138 -0.33045 -0.32853 -0.32754 -0.32687 -0.32524 -0.31968 -0.31889 -0.31693 -0.00493 0.01912 0.02852 0.03886 0.05248 0.05758 0.06236 0.06865 0.07584 0.08972 0.09422 0.09673 0.10461 0.11070 0.11403 0.11601 0.11977 0.12790 0.12949 0.13774 0.14233 0.14565 0.14838 0.14972 0.15412 0.16232 0.16725 0.17228 0.17300 0.17374 0.18113 0.18565 0.18813 0.19205 0.19552 0.20048 0.20380 0.20909 0.21244 0.21367 0.21704 0.22016 0.22646 0.23077 0.23533 0.23709 0.24298 0.24957 0.25468 0.25588 0.25877 0.25965 0.26562 0.26927 0.27270 0.27451 0.27791 0.27895 0.28048 0.28276 0.29073 0.29499 0.29539 0.29703 0.29913 0.30442 0.30635 0.31198 0.31392 0.31790 0.32798 0.33273 0.33543 0.34796 0.36202 0.39087 0.39228 0.40212 0.42132 0.42456 0.42849 0.43920 0.45258 0.45594 0.45723 0.46814 0.47228 0.47842 0.49821 0.50225 0.51070 0.52347 0.52615 0.53157 0.53861 0.54245 0.54762 0.55617 0.55899 0.56071 0.56585 0.57729 0.58247 0.59011 0.59891 0.60328 0.60586 0.61075 0.62244 0.62677 0.63935 0.64790 0.65300 0.66373 0.67254 0.68045 0.68343 0.69959 0.70431 0.71314 0.72795 0.75505 0.94311 0.94469 0.95273 0.96219 0.96567 0.97318 0.97756 0.98031 0.98739 0.99152 1.00202 1.00608 1.01159 1.01647 1.02264 1.02507 1.03151 1.04442 1.04826 1.05115 1.05648 1.06390 1.07095 1.07877 1.08018 1.08719 1.09429 1.09806 1.10145 1.10354 1.10806 1.11345 1.11733 1.12445 1.13119 1.13745 1.14419 1.14692 1.15767 1.15955 1.16724 1.18132 1.18605 1.20265 1.21405 1.21700 1.24055 1.24288 1.25328 1.26168 1.27319 1.28135 1.29105 1.29877 1.30496 1.31435 1.31845 1.32557 1.33844 1.34060 1.34870 1.35001 1.35598 1.35676 1.35920 1.37766 1.38865 1.39396 1.40170 1.41578 1.42084 1.42468 1.43194 1.43770 1.45957 1.46693 1.47385 1.47704 1.48483 1.49429 1.51152 1.52201 1.52775 1.53656 1.53886 1.54837 1.55403 1.55545 1.57651 1.58218 1.58939 1.60000 1.60233 1.61207 1.61646 1.62474 1.62707 1.64514 1.65022 1.65423 1.65718 1.66524 1.67190 1.69321 1.69856 1.71834 1.72376 1.73480 1.74898 1.76206 1.76738 1.79139 1.79622 1.80176 1.82080 1.83247 1.84161 1.84467 1.86317 1.88658 1.91780 2.01519 2.02868 2.02965 2.03256 2.04007 2.04134 2.04773 2.05139 2.05598 2.19133 2.21516 2.24210 2.25194 2.26047 2.26858 2.28314 2.29122 2.30889 2.32171 2.33016 2.34639 2.34800 2.35926 2.37843 2.38748 2.40394 2.41067 2.42472 2.44238 2.47202 2.49238 2.51626 2.55716 2.56147 2.56432 2.57938 2.58676 2.60366 2.60973 2.62929 2.64186 2.68230 2.69145 2.70178 2.70968 2.71072 2.72825 2.73430 2.73532 2.75399 2.76112 2.77327 2.78507 2.79724 2.80368 2.82189 2.82831 2.84220 2.84539 2.86059 2.88810 2.90458 2.93762 3.07423 3.07701 3.08467 3.08640 3.09623 3.10181 3.10495 3.10597 3.10855 3.11636 3.12189 3.12923 3.13288 3.13558 3.14040 3.14425 3.14702 3.14960 3.15310 3.15575 3.15878 3.16193 3.17765 3.18440 3.19598 3.20396 3.21456 3.21554 3.28369 3.28942 3.29326 3.30007 3.30741 3.30963 3.31055 3.31549 3.32505 3.32655 3.32797 3.33434 3.34257 3.34933 3.37571 3.39333 3.52433 3.67830 3.68360 3.69253 3.70538 3.71064 3.71372 3.71834 3.72601 3.72690 3.73574 3.74183 3.76194 3.77366 3.78865 3.86912 3.88302 3.90335 3.90672 3.91955 3.92353 3.92627 3.92975 3.93676 3.93972 3.94407 3.95283 3.96421 3.98027 3.99461 4.02178 4.96143 4.98362 4.99919 5.00174 5.02226 5.02974 5.03961 5.05302 5.05399 5.06680 5.06951 5.07841 5.14821 5.16323 5.20603 5.36586 5.37380 5.39618 5.41703 5.43040 5.44465 5.44994 5.45635 5.46930 5.47348 5.49143 5.50253 5.52808 5.55355 5.64471 5.65750 5.65895 5.66259 5.66314 5.67091 5.67340 5.67711 5.68909 5.69588 5.70974 5.72699 5.73279 5.75615 5.77223 5.78436 49.85924 49.88578 49.88864 49.89564 49.90223 49.90869 49.91770 49.91970 49.92864 49.93727 49.93992 49.94699 49.96690 49.97904 49.98913 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 46 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 H -0.798609 0.394537 0.364778 -0.758228 0.350098 -0.780570 0.336698 0.426731 0.435345 -0.762265 0.358888 -0.759604 0.401536 -0.751711 0.413239 0.322848 -0.647895 0.487054 0.496656 -0.783561 0.378974 0.400727 -0.721572 0.426645 0.480243 -0.770969 0.421635 0.349401 -0.757112 0.343112 0.424278 -0.701428 0.407448 0.314468 -0.723245 0.342145 0.407683 -0.718510 0.363741 0.365830 -0.833537 0.460826 0.438865 0.421130 0.389855 0.343400 1.00000 -0.2830 3.5526 1.2868 3.7890 -67.8941 -49.7122 -89.2808 -19.5412 15.3788 1.9531 1.0683 19.2501 -20.3184 -19.5412 15.3788 1.9531 -27.3343 84.5247 34.1662 60.5079 13.5541 -92.1946 -14.8098 0.0472 26.8773 2.6793 -3782.9974 -1446.6321 -1245.2221 -107.6684 -22.2677 -269.3440 21.2749 256.6106 6.1147 -555.7280 -626.0229 -459.2116 64.6662 55.3946 -112.6532 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF51 water 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.6720144 RMSD=8.454e-09 Dipole=1.4374603,-0.146837,-0.3666038 Quadrupole=10.3827806,11.9022107,-22.2849913,-12.7599296,-4.9452276,0.6565183 PG=C01 [X(H31O15)] 0 -0.3424924409 -1.0324331111 0.9595515215 0 -1.2551561725 2.7895357737 -0.7407277164 0 -1.9927187635 -0.8199573252 0.4476102359 0 2.6892127706 -2.2356817812 -1.2531057302 0 3.497955716 -2.7607278572 -1.2956760783 0 3.3333829537 0.3047564779 -0.2269737383 0 4.0101538903 0.7998771922 -0.7047324395 0 2.9519093436 -1.3917968064 -0.8341137303 0 3.1679931374 0.8018432576 0.6091158423 0 -0.3709846904 3.0058897335 -1.1155112656 0 -0.5282954614 3.4732047968 -1.9449395508 0 -2.8402960391 -0.610252113 -0.0144528111 0 -2.8632815252 0.3709493601 -0.0240832128 0 2.6093427295 1.6741784086 2.0193372025 0 2.0510988992 2.4411257801 1.7352405249 0 -2.1340179193 -4.5844029189 -0.7877945259 0 -2.3233548792 -1.8429252508 -2.1817707166 0 -2.5625619577 -1.2846311985 -1.3456461987 0 -1.4838404225 -1.4355729152 -2.6101542799 0 0.3872264192 0.375169902 3.1939200591 0 1.2230388858 0.7888110875 2.8991728703 0 0.1425849449 -0.2163613648 2.4471831067 0 -1.5057424728 -4.1487084181 -1.3780468728 0 -0.7086943883 -3.9622445837 -0.8272558353 0 -2.0507838692 -2.7716120084 -1.8543222757 0 -1.287246925 2.4447626848 2.627422425 0 -0.7405963624 1.6710417087 2.9168227546 0 -1.7346488037 2.7743335922 3.4164538284 0 0.6800850506 -3.4597539353 0.1087017549 0 1.0428467697 -4.104148211 0.7290778875 0 1.4528019881 -3.0719591233 -0.3707323762 0 -0.1940502119 -0.8439686528 -3.2017311204 0 0.2231624032 -0.3545497921 -2.4458643565 0 0.4131996732 -1.5672225919 -3.4063090659 0 -2.6074014259 2.1583842661 0.2293048027 0 -3.4033959541 2.7050598657 0.2204549916 0 -2.224398343 2.256280883 1.1321342928 0 0.8806027342 3.6592505578 1.3103858185 0 0.1137375241 3.3677638336 1.8442967884 0 0.5744855025 3.5306904937 0.3914520957 0 0.7139752894 0.4915892978 -1.0689336742 0 0.3995383986 1.4215437834 -1.1137594413 0 -0.0099209957 -1.9356981712 0.7706427082 0 1.6752663773 0.5173496865 -0.8760414099 0 0.0511841327 -0.4690755345 0.252744781 0 3.3091800498 2.0440445773 2.5721178496 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.3425,-1.0324,.9596;-1.2552,2.7895,-.7407;-1.9927,-.82,.4476;2.6892,-2.2357,-1.2531;3.498,-2.7607,-1.2957;3.3334,.3048,-.227;4.0102,.7999,-.7047;2.9519,-1.3918,-.8341;3.168,.8018,.6091;-.371,3.0059,-1.1155;-.5283,3.4732,-1.9449;-2.8403,-.6103,-.0145;-2.8633,.3709,-.0241;2.6093,1.6742,2.0193;2.0511,2.4411,1.7352;-2.134,-4.5844,-.7878;-2.3234,-1.8429,-2.1818;-2.5626,-1.2846,-1.3456;-1.4838,-1.4356,-2.6102;.3872,.3752,3.1939;1.223,.7888,2.8992;.1426,-.2164,2.4472;-1.5057,-4.1487,-1.378;-.7087,-3.9622,-.8273;-2.0508,-2.7716,-1.8543;-1.2872,2.4448,2.6274;-.7406,1.671,2.9168;-1.7346,2.7743,3.4165;.6801,-3.4598,.1087;1.0428,-4.1041,.7291;1.4528,-3.072,-.3707;-.1941,-.844,-3.2017;.2232,-.3545,-2.4459;.4132,-1.5672,-3.4063;-2.6074,2.1584,.2293;-3.4034,2.7051,.2205;-2.2244,2.2563,1.1321;.8806,3.6593,1.3104;.1137,3.3678,1.8443;.5745,3.5307,.3915;.714,.4916,-1.0689;.3995,1.4215,-1.1138;-.0099,-1.9357,.7706;1.6753,.5173,-.876;.0512,-.4691,.2527;3.3092,2.044,2.5721; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/water/CONF51/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 14H2OH3O CONF51 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 46 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 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 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 954 A 864 A 864 1211 954 75 75 1468.5959664051 46 46 46 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) -0.0490741937 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 4.281513 0.000000 1.740826 3.870993 0.000000 3.941433 6.408852 5.178532 0.000000 4.777248 7.328401 6.078910 0.965169 0.000000 4.087539 5.243354 5.485199 2.814557 3.250600 0.000000 5.007268 5.628812 6.323467 3.355625 3.645472 0.965099 0.000000 3.768217 5.932256 5.139958 0.978113 1.544402 1.841856 2.437223 0.000000 3.976290 5.033612 5.411956 3.594949 4.053273 0.986658 1.560588 2.634703 0.000000 4.540347 0.984394 4.439648 6.071064 6.946585 4.669899 4.922358 5.519099 4.511820 0.000000 5.363894 1.563923 5.128359 6.589566 7.449440 5.282332 5.411314 6.083913 5.227037 0.964926 0.000000 2.714027 3.820825 0.987859 5.895062 6.814654 6.244735 7.028059 5.901889 6.203418 4.515120 5.074125 0.000000 3.048179 2.991522 1.548752 6.255815 7.203450 6.200338 6.920360 6.130242 6.079711 3.787568 4.331955 0.981518 0.000000 4.142731 4.878148 5.465346 5.099242 5.607793 2.728638 3.185472 4.202349 1.749795 4.525824 5.366261 6.249279 5.985281 0.000000 4.289124 4.145254 5.352113 5.586585 6.191860 3.171531 3.533421 4.701525 2.280977 3.783151 4.611094 6.024789 5.615335 0.990230 0.000000 4.345028 7.426277 3.964498 5.384845 5.941621 7.356009 8.169958 6.005126 7.685983 7.799245 8.297130 4.109837 5.066616 8.339622 8.557977 0.000000 3.801134 4.967630 2.840674 5.112975 5.959462 6.358652 7.019927 5.463342 6.703637 5.334760 5.616010 2.546366 3.138212 7.372302 7.268557 3.081350 0.000000 3.210335 4.321351 1.938146 5.337996 6.237887 6.208039 6.925066 5.539183 6.404196 4.823333 5.209069 1.517893 2.139605 6.842972 6.682739 3.373921 1.033449 0.000000 3.769350 4.625862 3.160358 4.460508 5.319979 5.649242 6.229915 4.778296 6.083526 4.816534 5.044965 3.042826 3.442985 6.917868 6.812272 3.695789 1.026758 1.668953 0.000000 2.739752 4.899800 3.825531 5.647276 6.298172 4.515231 5.339052 5.091643 3.820462 5.105563 6.069916 4.656352 4.573988 2.829288 3.027275 6.841644 6.416015 5.662495 6.361365 0.000000 3.087062 4.836654 4.351941 5.342157 5.947372 3.802717 4.555905 4.656337 3.004560 4.855310 5.808491 5.192040 5.041632 1.865429 2.184162 7.330415 6.731934 6.053794 6.528994 0.978038 0.000000 1.764744 4.599117 2.986995 4.924947 5.633943 4.195697 5.091699 4.476702 3.683521 4.831092 5.775268 3.887465 3.935394 3.137210 3.348362 5.893029 5.491246 4.779600 5.450541 0.983552 1.543388 0.000000 4.065549 6.971958 3.827630 4.612259 5.193291 6.676485 7.440898 5.269448 7.092290 7.248784 7.705215 4.020086 4.909525 7.898238 8.109845 0.965897 2.575092 3.053008 2.979878 6.704602 7.079545 5.728239 0.000000 3.451171 6.774411 3.626013 3.835119 4.399882 5.908132 6.705248 4.472949 6.307805 6.982266 7.521148 4.054655 4.905497 7.133143 7.428728 1.555694 2.988872 3.297752 3.188048 6.015319 6.339589 5.047600 0.986623 0.000000 3.723021 5.727083 3.018480 4.807936 5.576802 6.411050 7.128258 5.288824 6.787764 6.061938 6.428368 2.946171 3.726341 7.515788 7.542084 2.104904 1.021752 1.652810 1.636370 6.428910 6.781611 5.462886 1.555732 2.067287 0.000000 3.970547 3.385902 3.988442 7.264798 8.086161 5.837587 6.470808 6.683702 5.159642 3.894092 4.747651 4.327191 3.716863 4.018330 3.455511 7.860655 6.525805 5.596435 6.521339 2.721763 3.019530 3.026299 7.717861 7.302004 6.919508 0.000000 3.361276 3.859207 3.724231 6.664412 7.439829 5.324237 6.036905 6.089754 4.621481 4.263584 5.189373 4.266781 3.852916 3.468080 3.127735 7.402459 6.391302 5.497654 6.383646 1.740130 2.152790 2.136085 7.273297 6.764101 6.649631 0.990567 0.000000 4.739825 4.184770 4.669000 8.153257 8.956630 6.712550 7.340668 7.575473 5.983959 4.738344 5.539697 4.944593 4.345959 4.693883 4.155646 8.484468 7.280506 6.311753 7.355693 3.210586 3.599694 3.661659 8.424259 8.027648 7.657580 0.965068 1.566852 0.000000 2.767941 6.596993 3.771905 2.718357 3.225106 4.617814 5.467677 3.213492 4.959971 6.663932 7.330999 4.530774 5.219901 5.807738 6.272614 3.160335 4.108656 4.166659 4.021450 4.930616 5.111930 4.034476 2.731835 1.748491 3.432877 6.713990 6.019048 7.458955 0.000000 3.377531 7.413773 4.481048 3.182882 3.454268 5.059549 5.908484 3.666734 5.347840 7.480245 8.187499 5.276262 5.987620 6.124356 6.698473 3.553029 4.991741 5.025249 4.965472 5.154568 5.355636 4.344795 3.307154 2.347383 4.245016 7.205642 6.428041 7.889866 0.965249 0.000000 3.025294 6.467384 4.196762 1.733971 2.266063 3.867746 4.652174 2.298911 4.348371 6.389142 7.017268 4.961615 5.531940 5.438367 5.931879 3.914933 4.364601 4.502016 4.039386 5.071972 5.064644 4.220397 3.305610 2.381825 3.816590 6.850622 6.173741 7.660402 0.988602 1.563029 0.000000 4.168192 4.514957 4.068596 3.747961 4.575797 4.755159 5.158737 3.975272 5.341778 4.382354 4.508795 4.149215 4.324149 6.438915 6.340838 4.856070 2.563625 3.041230 1.537374 6.536707 6.472646 5.693632 3.995956 3.953054 2.996461 6.781583 6.637823 7.698437 4.308760 5.254517 3.961138 0.000000 3.518003 3.870167 3.674089 3.323061 4.223375 3.877065 4.324991 3.334619 4.397974 3.662704 3.932851 3.919429 3.989675 5.454138 5.351522 5.118315 2.961378 3.136207 2.027181 5.689163 5.556658 4.895662 4.304066 4.062476 3.370897 5.987965 5.812939 6.927461 4.046836 4.981127 3.633524 0.992437 0.000000 4.462937 5.373088 4.604296 3.203648 3.923639 4.705311 5.083282 3.618288 5.415256 5.174559 5.331784 4.796427 5.092278 6.690842 6.721987 4.737965 3.010687 3.630612 2.061542 6.880159 6.779811 6.013437 3.802664 3.694089 3.151259 7.442678 7.197194 8.367345 4.001025 4.892226 3.543971 0.966282 1.558571 0.000000 3.980501 1.779855 3.048936 7.039849 7.987404 6.239956 6.819824 6.681361 5.944715 2.743785 3.283104 2.789087 1.823350 5.536523 4.904020 6.835478 4.680219 3.786402 4.716084 4.575652 4.865819 4.256856 6.601261 6.494883 5.381095 2.752415 3.308356 3.361400 6.510422 7.265907 6.648443 5.158526 4.635025 6.018460 0.000000 4.887151 2.354982 3.803598 7.981365 8.933205 7.165601 7.710150 7.634544 6.852477 3.327285 3.680378 3.370987 2.408235 6.360167 5.667076 7.467540 5.255601 4.367758 5.370464 5.351514 5.679035 5.105585 7.289063 7.267191 6.010673 3.215483 3.928116 3.606095 7.395420 8.148195 7.570080 5.882760 5.442646 6.780281 0.965681 0.000000 3.793019 2.175179 3.159983 7.071822 7.988115 6.045209 6.660693 6.630895 5.609530 3.008150 3.718340 3.148175 2.302061 4.948841 4.321780 7.105579 5.272120 4.334952 5.308760 3.822319 4.142550 3.666868 6.916745 6.693775 5.850536 1.774729 2.393593 2.392979 6.492803 7.161871 6.646093 5.702302 5.060540 6.494118 0.985584 1.556469 0.000000 4.861167 3.086250 5.391072 6.677783 7.406633 4.430828 4.693699 5.865345 3.726756 2.806836 3.552007 5.816265 5.158527 2.726108 1.741950 9.024861 7.261848 6.584213 6.849705 3.817893 3.298625 4.105770 8.595728 8.073572 7.743668 2.812319 3.026863 3.472483 7.222498 7.786822 6.961520 6.464755 5.536446 7.055615 3.948102 4.522286 3.411910 0.000000 4.511391 2.981706 4.891309 6.901129 7.672729 4.902886 5.317297 6.154878 4.175895 3.020989 3.844689 5.292058 4.618916 3.021079 2.150330 8.672789 7.021390 6.243644 6.742880 3.294222 2.999052 3.634592 8.336880 7.844910 7.487114 1.851479 2.181528 2.498073 7.067393 7.611598 6.940424 6.579956 5.680940 7.211978 3.387535 3.930174 2.685042 0.978830 0.000000 4.688889 2.275682 5.051913 6.358277 7.139680 4.289594 4.523580 5.602235 3.770977 1.854796 2.584213 5.382648 4.687737 3.199577 2.274490 8.636050 6.625308 6.003824 6.157119 4.224477 3.771894 4.295692 8.150561 7.699083 7.187111 3.105616 3.400769 3.880053 6.996957 7.656639 6.704278 5.713078 4.823783 6.359066 3.468994 4.066257 3.163302 0.977075 1.532838 0.000000 2.748367 3.043970 3.368420 3.372461 4.287135 2.757734 3.330537 2.934388 2.989032 2.738798 3.346738 3.867665 3.728677 3.811608 3.667695 5.827161 3.989203 3.737275 3.304498 4.276943 4.011653 3.631908 5.153160 4.681777 4.348472 4.634957 4.403764 5.596908 4.123237 4.945888 3.705702 2.675266 1.689019 3.129296 3.936391 4.849198 4.073435 3.965224 4.137581 3.374659 0.000000 3.297155 2.179121 3.631129 4.317097 5.208136 3.262062 3.686505 3.808895 3.319137 1.761778 2.400219 3.979095 3.596823 3.842311 3.447318 6.526604 4.383099 4.018855 3.734893 4.432962 4.145133 3.927986 5.893017 5.504129 4.912745 4.229499 4.196159 5.187256 5.039860 5.860304 4.674722 3.137598 2.227133 3.766788 3.374677 4.229640 3.553290 3.333952 3.552401 2.597069 0.982698 0.000000 0.980907 5.114947 2.297981 3.386867 4.153980 4.146391 5.081447 3.412259 4.197542 5.301626 6.074482 3.222453 3.754181 4.631521 4.933036 3.735793 3.751977 3.379133 3.721875 3.371959 3.670665 2.406276 3.428084 2.673659 3.428457 4.926219 4.260111 5.670926 1.799172 2.410855 2.175634 4.123776 3.591695 4.214467 4.878674 5.775380 4.754711 5.691029 5.412461 5.510601 3.130462 3.871654 0.000000 3.137288 3.710595 4.122446 2.957946 3.774133 1.793275 2.358149 2.297045 2.124820 3.230684 3.838660 4.733300 4.620139 3.254838 3.265112 6.367599 4.823360 4.628915 4.098904 4.271282 3.811882 3.732461 5.669473 5.074684 5.065348 4.976511 4.642544 5.928492 4.216332 4.933012 3.631524 3.279690 2.309363 3.512906 4.717630 5.637481 4.718478 3.909411 4.238334 3.449418 0.980791 1.581632 3.401304 0.000000 0.985864 3.648570 2.082938 3.513926 4.419221 3.406138 4.266198 3.232164 3.384780 3.758422 4.550515 2.907229 3.045716 3.776051 3.829716 4.774280 3.667801 3.170434 3.389190 3.078342 3.155805 2.210832 4.315461 3.734441 3.762934 3.990106 3.507753 4.870109 3.059481 3.797900 3.021301 3.483402 2.706508 3.837402 3.737937 4.691514 3.657755 4.341614 4.154309 4.036237 1.763237 2.358628 1.556578 2.210167 0.000000 5.039821 5.688925 6.389536 5.773452 6.171005 3.295546 3.574502 4.851295 2.327311 5.297864 6.096927 7.179951 6.902086 0.965474 1.562308 9.211609 8.332673 7.804250 7.869989 3.421928 2.456534 3.892604 8.782794 7.985898 8.456544 4.614193 4.081500 5.165891 6.578173 6.806860 6.187083 7.345105 6.360574 7.561054 6.364572 7.143244 5.721808 3.177868 3.534517 3.800523 4.733124 4.737005 5.486356 4.109778 4.723325 0.000000 H31O15(1+) 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 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;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.482,-.0445,-1.3662;1.8757,-1.8649,1.7093;-.7681,-1.7432,-1.1156;-2.1865,2.953,.5429;-2.5523,3.844,.4819;.5933,3.1596,.9329;.8808,3.6753,1.6963;-1.2187,3.0762,.6131;1.4057,2.974,.4047;2,-1.081,2.2916;1.9811,-1.405,3.2004;-.9245,-2.6544,-.7674;-.0841,-2.8767,-.3118;2.7679,2.3814,-.52;3.2182,1.6556,-.0191;-4.6397,-1.2305,-1.7973;-2.9705,-2.0986,.6429;-2.115,-2.3685,.1298;-2.713,-1.4019,1.3519;1.9152,.5858,-2.5334;2.2424,1.2898,-1.9386;1.0093,.399,-2.1992;-4.4645,-.7603,-.972;-3.9294,.0293,-1.2241;-3.578,-1.6145,-.0208;3.2049,-1.5182,-1.3855;2.7497,-.8019,-1.8962;3.8118,-1.9491,-1.9997;-2.855,1.367,-1.5611;-3.0628,1.908,-2.333;-2.6482,1.9978,-.8286;-2.3148,-.3185,2.3673;-1.4695,.0581,2.0088;-2.9575,.4015,2.3203;1.6183,-2.9665,.3353;1.9796,-3.8542,.4533;2.1917,-2.5304,-.3373;3.9081,.2285,.7034;3.8117,-.4112,-.0312;3.3107,-.1279,1.3895;-.0051,.491,1.287;.7348,-.0083,1.698;-1.3096,.4457,-1.5584;.2398,1.4406,1.3014;-.2844,.1605,-.4223;3.4494,3.0392,-.7068; 0.3417022 0.2296589 0.1933725 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= 864 RedAO= T EigKep= 5.61D-05 NBF= 864 NBsUse= 864 1.00D-06 EigRej= -1.00D+00 NBFU= 864 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= 947 941 941 947 947 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.68418242408 -1147.71166710374 -0.027484679653 -1147.71176429525 -0.000097191518 -1147.71178201673 -0.000017721477 -1147.71179095644 -0.000008939709 -1147.71179103157 -0.000000075129 -1147.71179106056 -0.000000028990 -1147.71179106091 -0.000000000351 -1147.71179106 8 1.143622210813e+03 -5.631304470608e+03 1.871406787639e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322783408 LenY= 11321872338 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. PT4176.200S Tue Nov 5 18:58:30 2024 -19.17165 -19.13640 -19.13461 -19.13399 -19.13338 -19.13311 -19.13203 -19.13127 -19.13053 -19.13019 -19.12389 -19.12326 -19.12015 -19.11773 -19.11356 -1.07595 -1.03401 -1.03048 -1.02782 -1.02457 -1.02146 -1.01974 -1.01781 -1.01571 -1.01270 -1.00747 -1.00375 -1.00043 -0.99729 -0.99090 -0.57110 -0.56777 -0.55240 -0.54630 -0.54505 -0.54333 -0.54187 -0.54171 -0.53932 -0.53807 -0.53536 -0.53305 -0.52814 -0.52623 -0.52156 -0.51994 -0.44746 -0.44106 -0.43932 -0.43703 -0.42420 -0.41990 -0.41634 -0.40655 -0.40551 -0.39935 -0.39416 -0.38929 -0.38588 -0.38267 -0.36882 -0.33940 -0.33736 -0.33664 -0.33438 -0.33249 -0.33166 -0.33068 -0.32870 -0.32782 -0.32706 -0.32543 -0.31995 -0.31915 -0.31714 -0.00596 0.01773 0.02695 0.03708 0.05083 0.05582 0.06101 0.06714 0.07424 0.08805 0.09294 0.09535 0.10352 0.10951 0.11256 0.11496 0.11833 0.12691 0.12820 0.13630 0.14103 0.14322 0.14717 0.14802 0.15251 0.16030 0.16486 0.17024 0.17078 0.17190 0.17962 0.18272 0.18494 0.18896 0.19205 0.19743 0.20156 0.20532 0.20821 0.20971 0.21301 0.21680 0.22289 0.22702 0.23196 0.23450 0.23922 0.24470 0.25003 0.25269 0.25378 0.25511 0.26169 0.26552 0.26867 0.26957 0.27335 0.27466 0.27710 0.27979 0.28491 0.29153 0.29204 0.29441 0.29510 0.30134 0.30183 0.30639 0.30841 0.31018 0.31661 0.32390 0.32793 0.33437 0.35244 0.37615 0.38470 0.39151 0.39676 0.40660 0.41104 0.42302 0.42625 0.43888 0.44480 0.45148 0.45951 0.46515 0.46900 0.47849 0.48270 0.48664 0.49306 0.49543 0.49916 0.50804 0.51158 0.51886 0.52411 0.52804 0.53158 0.53275 0.54432 0.54669 0.54892 0.55316 0.55420 0.56142 0.56357 0.57330 0.57413 0.58014 0.58476 0.58924 0.59163 0.60217 0.61079 0.61584 0.62532 0.63414 0.64200 0.64741 0.65325 0.65750 0.66461 0.66590 0.66992 0.67478 0.68270 0.69333 0.69840 0.70480 0.71165 0.71372 0.72712 0.72741 0.74128 0.74463 0.75778 0.76907 0.77180 0.77568 0.78427 0.78865 0.80130 0.81246 0.81608 0.81751 0.82421 0.82969 0.83455 0.83702 0.84227 0.84633 0.85628 0.85677 0.86608 0.86847 0.87247 0.87613 0.88026 0.88852 0.89392 0.89875 0.90008 0.90463 0.91303 0.91755 0.92216 0.92505 0.93016 0.93305 0.93551 0.94034 0.94104 0.94527 0.94951 0.95247 0.95842 0.96031 0.96283 0.96614 0.97547 0.98720 0.99368 0.99892 1.00054 1.00168 1.00853 1.01201 1.01541 1.01972 1.02249 1.03022 1.03532 1.04225 1.04342 1.04540 1.05618 1.05830 1.06275 1.06564 1.07379 1.07740 1.08223 1.08502 1.08757 1.09928 1.10175 1.10688 1.11034 1.11888 1.12012 1.12366 1.12725 1.13368 1.14386 1.14556 1.14726 1.15402 1.15528 1.16130 1.16781 1.17172 1.17530 1.18536 1.19179 1.19685 1.20172 1.20883 1.21460 1.22445 1.23023 1.23485 1.23965 1.24785 1.25725 1.25957 1.26408 1.27267 1.27772 1.28106 1.29664 1.29904 1.30330 1.30835 1.30988 1.31427 1.32881 1.33056 1.33154 1.34821 1.35225 1.35646 1.35958 1.36270 1.37917 1.38447 1.39033 1.39881 1.40758 1.41069 1.42470 1.42617 1.43640 1.44492 1.44649 1.45249 1.46144 1.47124 1.47896 1.48359 1.49221 1.50137 1.50424 1.52186 1.53300 1.53800 1.53993 1.54989 1.55696 1.55947 1.56202 1.56965 1.57345 1.58580 1.59011 1.59241 1.59871 1.60836 1.62405 1.63596 1.64484 1.64668 1.65550 1.66260 1.67340 1.68290 1.69309 1.69876 1.70444 1.72070 1.72699 1.73455 1.73950 1.76427 1.77489 1.78189 1.79107 1.79798 1.82075 1.82438 1.84367 1.85564 1.86819 1.89395 1.91445 1.92292 1.94054 1.96126 1.97883 1.98816 2.01638 2.02352 2.05265 2.07727 2.10223 2.10895 2.13388 2.14246 2.16769 2.17888 2.19520 2.20781 2.23021 2.24290 2.25060 2.25448 2.26810 2.28196 2.29163 2.30282 2.31702 2.32155 2.34802 2.36072 2.37917 2.38746 2.40855 2.41639 2.70566 2.73089 2.73593 2.74556 2.75968 2.76445 2.77256 2.77550 2.78012 2.78817 2.79921 2.80871 2.81843 2.82646 2.82755 2.84732 2.85761 2.86666 2.87840 2.88617 2.89314 2.91874 2.93789 2.94035 2.95000 2.97359 2.97889 3.00827 3.03727 3.05160 3.10916 3.11570 3.12320 3.13793 3.13858 3.16059 3.16499 3.17534 3.18223 3.20338 3.20782 3.21819 3.22630 3.23131 3.25134 3.25560 3.26848 3.27269 3.27839 3.28918 3.29355 3.30441 3.31949 3.32518 3.32548 3.32844 3.34064 3.34326 3.34616 3.35576 3.36725 3.37026 3.37725 3.38162 3.38964 3.39711 3.40211 3.41402 3.42292 3.42493 3.43872 3.44328 3.44458 3.45190 3.45606 3.46047 3.46361 3.47661 3.47760 3.48130 3.48553 3.49625 3.49814 3.50256 3.51673 3.51901 3.52320 3.52988 3.53582 3.53907 3.55400 3.57192 3.57364 3.58425 3.59026 3.59977 3.60052 3.60586 3.61659 3.62626 3.62977 3.64464 3.64933 3.67258 3.70096 3.71784 3.76725 3.79268 3.80291 3.81395 3.84169 3.85555 3.86594 3.88303 3.89503 3.95264 3.96639 3.97280 3.98033 3.99135 4.01416 4.01608 4.02418 4.02891 4.03437 4.04084 4.05649 4.06134 4.06971 4.07603 4.07874 4.08995 4.10477 4.12129 4.13175 4.14226 4.15262 4.15788 4.16411 4.16647 4.18084 4.20001 4.21632 4.22118 4.22910 4.23902 4.24590 4.25203 4.29040 4.29844 4.30177 4.31845 4.33132 4.33723 4.34692 4.35234 4.36154 4.36517 4.37728 4.39021 4.39161 4.40046 4.40392 4.41756 4.43256 4.43852 4.46090 4.50308 4.62996 4.63197 4.63632 4.64448 4.65373 4.65516 4.65925 4.66186 4.68150 4.69136 4.73843 4.74630 4.77061 4.78088 4.80225 4.82663 4.83019 4.84159 4.85273 4.85762 4.86882 4.88459 4.89028 4.89274 4.89578 4.90399 4.90722 4.92582 4.93462 4.93670 4.95264 5.04043 5.04774 5.05554 5.08952 5.10228 5.10644 5.11341 5.11807 5.14454 5.15001 5.16037 5.16537 5.16941 5.17395 5.18673 5.19184 5.20831 5.21310 5.22656 5.23034 5.24197 5.24868 5.25255 5.25516 5.25811 5.27518 5.28306 5.28981 5.29653 5.29987 5.30033 5.31309 5.31834 5.32278 5.32949 5.33310 5.34111 5.34781 5.35493 5.35653 5.36985 5.37162 5.38229 5.38834 5.39290 5.39768 5.40339 5.40743 5.41034 5.41527 5.42396 5.42649 5.43279 5.44954 5.45021 5.45722 5.46238 5.46782 5.46883 5.47574 5.48030 5.48820 5.50454 5.50725 5.52218 5.52822 5.53650 5.54098 5.55113 5.56057 5.56301 5.56569 5.57199 5.57677 5.58015 5.58018 5.58351 5.58716 5.59087 5.59693 5.60345 5.60459 5.61456 5.61641 5.61980 5.62138 5.63122 5.63856 5.64302 5.65046 5.66074 5.66980 5.69066 5.69831 5.70846 5.71130 5.72283 5.72677 5.73219 5.74530 5.75552 5.76256 5.77097 5.77518 5.79490 5.80973 5.84500 5.85771 5.88365 5.89509 5.90184 5.92147 5.93045 5.94424 5.95820 5.97421 5.99289 5.99508 6.01143 6.72949 6.77032 6.93596 6.94961 6.95498 6.95990 6.96713 6.97038 6.97406 6.97987 6.98364 6.99316 7.00237 7.00280 7.01106 7.01870 7.02444 7.02671 7.03048 7.03964 7.04950 7.05808 7.06330 7.06828 7.08534 7.10177 7.10944 7.13387 7.15567 7.16429 7.20503 14.37212 14.37247 14.37876 14.38555 14.38817 14.38945 14.39093 14.39424 14.39583 14.39999 14.40469 14.40503 14.40592 14.40739 14.41102 14.41482 14.41850 14.42266 14.42342 14.42657 14.42904 14.43169 14.43692 14.43741 14.44001 14.44269 14.44390 14.46182 14.46664 14.46846 14.47079 14.47284 14.47442 14.48402 14.48487 14.49414 14.50031 14.50709 14.50974 14.51761 14.52883 14.53869 14.54662 14.56206 14.59414 14.65549 14.66158 14.66607 14.67065 14.67250 14.67880 14.68169 14.68441 14.68686 14.69450 14.70245 14.70633 14.71933 14.73851 14.84895 14.88356 15.04107 15.04745 15.04817 15.04908 15.05882 15.05960 15.06311 15.06429 15.06689 15.07459 15.07922 15.08349 15.09073 15.09224 49.99279 50.00464 50.01940 50.02384 50.03167 50.03493 50.04539 50.05212 50.06263 50.06505 50.06686 50.07446 50.09286 50.10571 50.16302 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 46 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 H -0.944618 0.452069 0.475903 -0.773187 0.314839 -0.790368 0.277333 0.457068 0.489907 -0.757856 0.316101 -0.939292 0.441705 -0.777777 0.485140 0.300639 -0.859290 0.623116 0.625251 -0.888581 0.404073 0.473502 -0.818073 0.509827 0.597944 -0.776300 0.480829 0.307071 -0.785368 0.294732 0.496349 -0.849215 0.531364 0.301119 -0.766596 0.302252 0.469937 -0.796445 0.405216 0.375213 -0.893341 0.488142 0.456235 0.450820 0.510510 0.302101 1.00000 -0.5202 3.2885 1.3436 3.5902 -66.4284 -49.6205 -88.1746 -18.5390 14.7204 1.8068 1.6461 18.4540 -20.1001 -18.5390 14.7204 1.8068 -30.5747 80.2173 33.3976 58.1353 12.1356 -89.2475 -14.4640 -0.4202 26.5760 2.8329 -3728.5291 -1444.4060 -1229.1514 -95.6807 -24.6694 -259.3012 20.7159 248.1260 3.6002 -554.4257 -621.1219 -458.3289 63.7286 52.4176 -108.3642 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS LAMSABHI 05-Nov-2024 0 Single Point 14H2OH3O CONF51 water 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.7117911 RMSD=9.097e-09 Dipole=1.3275621,-0.1961857,-0.4407628 Quadrupole=9.9673453,11.6029883,-21.5703337,-12.1221939,-4.5282997,1.0034571 PG=C01 [X(H31O15)] 0 -0.3424924409 -1.0324331111 0.9595515215 0 -1.2551561725 2.7895357737 -0.7407277164 0 -1.9927187635 -0.8199573252 0.4476102359 0 2.6892127706 -2.2356817812 -1.2531057302 0 3.497955716 -2.7607278572 -1.2956760783 0 3.3333829537 0.3047564779 -0.2269737383 0 4.0101538903 0.7998771922 -0.7047324395 0 2.9519093436 -1.3917968064 -0.8341137303 0 3.1679931374 0.8018432576 0.6091158423 0 -0.3709846904 3.0058897335 -1.1155112656 0 -0.5282954614 3.4732047968 -1.9449395508 0 -2.8402960391 -0.610252113 -0.0144528111 0 -2.8632815252 0.3709493601 -0.0240832128 0 2.6093427295 1.6741784086 2.0193372025 0 2.0510988992 2.4411257801 1.7352405249 0 -2.1340179193 -4.5844029189 -0.7877945259 0 -2.3233548792 -1.8429252508 -2.1817707166 0 -2.5625619577 -1.2846311985 -1.3456461987 0 -1.4838404225 -1.4355729152 -2.6101542799 0 0.3872264192 0.375169902 3.1939200591 0 1.2230388858 0.7888110875 2.8991728703 0 0.1425849449 -0.2163613648 2.4471831067 0 -1.5057424728 -4.1487084181 -1.3780468728 0 -0.7086943883 -3.9622445837 -0.8272558353 0 -2.0507838692 -2.7716120084 -1.8543222757 0 -1.287246925 2.4447626848 2.627422425 0 -0.7405963624 1.6710417087 2.9168227546 0 -1.7346488037 2.7743335922 3.4164538284 0 0.6800850506 -3.4597539353 0.1087017549 0 1.0428467697 -4.104148211 0.7290778875 0 1.4528019881 -3.0719591233 -0.3707323762 0 -0.1940502119 -0.8439686528 -3.2017311204 0 0.2231624032 -0.3545497921 -2.4458643565 0 0.4131996732 -1.5672225919 -3.4063090659 0 -2.6074014259 2.1583842661 0.2293048027 0 -3.4033959541 2.7050598657 0.2204549916 0 -2.224398343 2.256280883 1.1321342928 0 0.8806027342 3.6592505578 1.3103858185 0 0.1137375241 3.3677638336 1.8442967884 0 0.5744855025 3.5306904937 0.3914520957 0 0.7139752894 0.4915892978 -1.0689336742 0 0.3995383986 1.4215437834 -1.1137594413 0 -0.0099209957 -1.9356981712 0.7706427082 0 1.6752663773 0.5173496865 -0.8760414099 0 0.0511841327 -0.4690755345 0.252744781 0 3.3091800498 2.0440445773 2.5721178496