Gaussian 16 GINC-GARGANTA LAMSABHI Optimization 14H2O CONF94 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2274,-.4102,-1.7812;1.0711,-1.5932,.8691;2.3203,2.191,-.7192;-3.1779,-2.9563,-1.5684;-2.5627,-3.6423,-1.8449;1.5846,2.1194,3.2894;2.2975,1.6576,2.7974;-2.9209,-2.747,-.6461;1.6751,3.0441,3.0394;.1208,-1.3482,.7875;.0219,-.459,1.2003;3.2077,1.8193,-.684;3.1462,.9824,-1.1919;2.8184,-1.7966,.79;3.0773,-.964,1.2287;2.9449,-1.6013,-.1519;-3.0004,1.4573,-1.1294;-3.1048,1.1092,-.211;-3.7502,2.0416,-1.2768;3.412,.7691,1.7822;3.3637,1.2021,.8937;4.3236,.8791,2.0721;-3.0973,.5019,1.3991;-2.9814,-.4585,1.2783;-2.2103,.8071,1.6644;-2.256,-.6748,-2.8167;-2.6199,.0544,-2.2812;-2.6054,-1.4907,-2.3989;-.3945,1.1492,1.7019;.2695,1.5403,2.3136;-.2826,1.6032,.8386;-2.4289,-2.2095,.9514;-2.5753,-2.8245,1.6773;-1.4613,-2.0382,.9363;2.9113,-.6333,-1.8805;1.9403,-.6176,-2.0215;3.3007,-.8411,-2.7355;-.2691,2.1664,-.8545;.0147,1.3115,-1.2389;-.6345,-.5689,-2.2367;-1.2348,2.1442,-.9802;.1269,-.8,-.8848; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520751/Gau-378464.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520751/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF94/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2O CONF94 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 1 2 2 3 4 4 4 6 6 6 7 8 10 10 10 11 12 12 13 14 14 15 17 17 17 17 18 20 20 23 23 24 25 26 26 26 29 29 31 32 32 35 35 38 38 36 39 40 42 10 14 12 5 8 28 7 9 30 20 32 11 34 42 29 13 21 35 15 16 20 18 19 27 41 23 21 22 24 25 32 29 27 28 40 30 31 38 33 34 36 37 39 41 1.7421 1.8175 0.9877 0.9827 0.9848 1.7609 0.9628 0.9621 0.98 1.7792 0.9817 0.9621 1.7369 1.7499 1.7559 0.9853 1.7324 1.7599 1.7353 0.9808 1.7012 1.772 0.9761 0.9702 1.8498 0.9877 0.9619 1.8546 1.9003 1.7209 0.9897 0.9628 0.9749 0.9749 1.8649 1.8481 0.9751 0.981 1.7254 0.9839 0.9819 1.7844 0.9626 0.9827 0.9813 0.9622 0.9794 0.9742 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 36 36 36 39 39 40 5 5 8 7 7 9 2 2 2 11 11 34 3 3 13 2 2 15 18 18 18 19 19 27 7 7 7 15 15 21 18 18 24 23 27 27 28 11 11 11 25 25 30 8 8 8 24 24 33 13 13 36 1 31 31 39 17 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 10 10 10 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 25 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 36 38 38 38 41 39 40 42 40 42 42 8 28 28 9 30 30 11 34 42 34 42 42 13 21 21 15 16 16 19 27 41 27 41 41 15 21 22 21 22 22 24 25 25 29 28 40 40 25 30 31 30 31 31 24 33 34 33 34 34 36 37 37 35 39 41 41 38 105.6067 140.8328 100.3215 100.8162 95.2542 105.5261 104.7777 104.3305 100.3075 104.6897 96.3994 104.2215 106.6575 140.8098 98.7949 103.4056 96.7354 102.0549 104.6356 104.9832 100.1626 98.3076 98.6137 103.3045 105.9125 109.421 98.774 121.6138 121.1163 97.5608 122.2803 105.5229 111.7329 97.6109 111.6198 105.4567 103.4305 98.5106 103.5282 163.2317 104.7764 96.906 104.0375 93.3478 112.7182 98.4525 138.5286 100.349 106.6145 111.3387 116.6069 108.3728 114.9981 97.5149 105.8303 99.9251 119.2486 106.0353 162.7498 95.6855 96.1832 102.5103 159.9633 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 1 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 1 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 42 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 42 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 10 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 10 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 3 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 3 -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 -2 170.0129 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 173.0819 175.6511 180.1133 171.57 174.352 174.6423 174.9407 170.2818 170.6451 176.9786 175.2432 168.8835 166.218 189.631 170.6851 172.3262 183.9101 178.1252 176.309 168.2784 183.3717 189.4659 176.5257 178.6493 174.8546 184.7942 180.6562 175.0056 179.2765 182.9872 187.4356 176.5047 181.3889 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 36 36 36 39 39 39 40 40 40 36 36 39 39 42 42 39 40 42 36 36 40 40 42 42 5 5 8 8 5 5 5 28 28 28 9 9 9 30 30 30 7 7 7 9 9 9 11 11 34 34 42 42 2 2 2 34 34 34 42 42 42 2 2 2 11 11 11 42 42 42 3 3 3 13 13 13 3 3 21 21 2 2 2 16 16 16 19 19 27 27 41 41 18 18 19 19 41 41 18 19 27 18 18 18 25 25 25 18 24 23 23 23 11 11 25 25 30 30 13 37 31 39 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 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 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 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 25 25 25 29 29 29 29 29 29 35 35 38 38 10 10 10 10 10 10 10 10 10 26 26 26 26 26 26 36 36 36 38 38 38 38 38 38 26 26 26 26 32 32 32 32 32 32 20 20 20 20 20 20 29 29 29 29 29 29 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 35 35 35 35 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 41 41 41 32 32 32 32 32 32 25 25 29 29 29 38 38 38 38 38 38 36 36 41 41 2 11 34 2 11 34 2 11 34 27 28 27 28 27 28 35 35 35 31 41 31 41 31 41 27 40 27 40 24 33 34 24 33 34 15 21 22 15 21 22 11 25 31 11 25 31 15 16 15 16 15 16 25 30 31 25 30 31 25 30 31 8 24 33 8 24 33 8 24 33 7 15 22 7 15 22 36 37 36 37 7 21 22 7 21 22 24 25 24 25 24 25 28 40 28 40 28 40 38 38 38 8 33 34 8 33 34 29 29 11 30 31 39 41 39 41 39 41 1 1 17 17 -2.7086 104.821 -149.8974 -108.7646 -1.235 104.0466 148.8394 -103.6311 1.6506 -152.4511 101.3726 -21.8804 -128.0568 74.8068 -31.3696 53.7805 -175.5728 -44.7024 -95.6263 167.9847 112.38 15.9909 6.2634 -90.1257 -157.697 -57.2136 -49.7468 50.7366 154.3217 -70.7156 49.2698 47.1652 -177.872 -57.8866 -147.9206 -39.922 74.7104 -42.6064 65.3922 -179.9753 34.5209 157.913 -70.3117 140.8786 -95.7293 36.046 1.2957 -102.8643 -144.011 111.829 98.9684 -5.1916 -167.2509 -19.8092 92.2787 -10.1901 137.2516 -110.6604 92.3763 -120.182 -8.094 -91.6178 156.0808 38.9603 128.0096 15.7082 -101.4123 29.4841 -82.8174 160.0621 -25.7942 99.8081 -145.818 -133.4374 -7.8351 106.5389 -4.0664 111.4789 102.6731 -141.7816 25.0116 -86.2531 164.7544 124.4158 13.1511 -95.8413 130.4933 -123.9662 -4.2976 101.243 -104.0396 1.5009 26.3177 -78.3269 -99.6745 155.681 127.0695 22.425 63.6091 178.2672 -47.4838 -26.5263 -164.9323 85.0375 -126.7335 94.8604 -15.1697 -49.9084 56.2061 -44.2285 -174.7964 54.9992 -2.6375 100.1351 -96.35 6.4225 114.0824 -143.1451 -47.7421 -172.2413 -64.278 32.9668 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 476 A 728 490 1283.6239819358 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.60D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 39 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00032 0.00084 0.00165 0.00236 0.00263 0.00310 0.00332 0.00380 0.00412 0.00443 0.00490 0.00567 0.00611 0.00623 0.00673 0.00798 0.00855 0.01027 0.01050 0.01126 0.01230 0.01454 0.01673 0.01784 0.01873 0.02135 0.02432 0.02541 0.02781 0.02942 0.03136 0.03190 0.03325 0.03539 0.03641 0.03670 0.03763 0.03858 0.03979 0.04149 0.04265 0.04377 0.04466 0.04592 0.04672 0.04773 0.04886 0.04943 0.05087 0.05185 0.05206 0.05390 0.05469 0.05548 0.05608 0.05684 0.05854 0.05945 0.06026 0.06067 0.06163 0.06343 0.06436 0.06528 0.06613 0.06667 0.06703 0.06766 0.06919 0.06993 0.07130 0.07209 0.07265 0.07352 0.07476 0.07550 0.07653 0.07819 0.08098 0.08224 0.08745 0.08778 0.09300 0.09776 0.09970 0.10349 0.10979 0.11626 0.12677 0.13625 0.15612 0.19003 0.38575 0.39561 0.40180 0.44955 0.45319 0.46947 0.47362 0.48088 0.48155 0.48613 0.49123 0.49543 0.49735 0.49799 0.50144 0.50859 0.51207 0.51363 0.51719 0.52856 0.53693 0.54906 0.54950 0.55014 0.55037 0.55060 0.55245 0.57902 -1.03898784e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 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 3.35614 3.47589 1.86371 1.85361 1.85956 3.40242 1.83697 1.82356 1.85678 3.41413 1.85928 1.82349 3.36519 3.34369 3.34584 1.85918 3.34888 3.47156 3.36893 1.85230 3.28587 3.44718 1.84856 1.84707 3.53179 1.86808 1.82335 3.47064 3.54275 3.31221 1.87024 1.82448 1.84858 1.84986 3.51503 3.43247 1.85017 1.85461 3.32803 1.85702 1.85223 3.49230 1.82430 1.85623 1.85486 1.82318 1.85522 1.84827 1.55632 2.56065 1.84205 1.64274 1.66061 1.86962 1.83447 1.90502 1.73949 1.83755 1.67087 1.94380 1.84155 2.57905 1.68151 1.84006 1.72108 1.53180 1.81251 1.93856 1.75899 1.76985 1.71849 1.80856 1.85341 1.81257 1.77050 2.10393 2.21848 1.64786 2.09779 1.80412 2.00597 1.63612 1.99516 1.84681 1.89793 1.69995 1.81662 2.90415 1.83959 1.71716 1.76701 1.51621 1.95799 1.71087 2.42368 1.83433 1.87787 1.82396 2.02379 2.06025 2.01175 1.67132 1.84803 1.79557 2.16324 1.86115 2.80709 1.71804 1.64261 1.80354 2.80165 2.97989 2.95359 3.10651 3.09197 2.96701 3.03901 3.00907 3.02759 3.00482 2.97919 3.03685 3.14638 2.84921 2.89567 3.23943 3.05393 2.91469 3.17425 3.13565 3.01824 2.99318 3.15536 3.32355 3.06470 3.11717 3.04827 3.20795 3.11697 3.01765 3.12129 3.25588 3.28255 3.04159 3.24731 -0.17658 1.67254 -2.76335 -1.73243 0.11668 1.96398 2.90150 -1.53257 0.31473 -1.95998 2.45202 -0.43325 -2.30444 1.22810 -0.64309 1.14078 2.82071 -0.51921 -1.75109 2.87476 1.96613 0.30879 0.09320 -1.56414 -2.93797 -1.17688 -1.03714 0.72395 2.86063 -1.20324 1.05673 0.88969 3.10900 -0.91421 -2.82879 -1.07551 0.94213 -0.86750 0.88578 2.90343 0.86946 2.73641 -0.97116 2.76804 -1.64819 0.92742 0.19942 -1.63307 -2.79257 1.65812 1.93192 0.09943 -3.08973 -0.59841 1.36531 -0.06305 2.42827 -1.89119 1.48342 -2.30845 -0.34472 -1.40778 3.05403 1.03520 1.99878 0.17740 -1.84142 0.28632 -1.53506 2.72930 -0.51121 1.60386 -2.66040 -2.40352 -0.28845 1.73048 -0.02166 2.09009 1.95121 -2.22023 0.40332 -1.43652 2.96778 2.14316 0.30332 -1.57557 2.28294 -2.14210 0.01143 1.86958 -1.66297 0.19517 0.48446 -1.30157 -1.60940 2.88776 2.26570 0.47967 1.01286 3.11871 -0.82161 -0.55691 -2.83646 1.53862 -2.31189 1.69175 -0.21636 -0.69434 1.25187 -1.12025 3.05428 0.58100 0.07281 1.87831 -1.44560 0.35990 2.10140 -2.37628 -0.97758 3.00578 -1.24268 0.49714 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00003 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00001 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 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 -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 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00014 -0.00014 0.00001 -0.00001 -0.00002 0.00018 -0.00000 0.00000 -0.00001 0.00005 0.00003 0.00000 0.00009 -0.00012 0.00014 -0.00002 0.00021 0.00014 0.00003 0.00001 0.00024 0.00005 -0.00001 0.00002 0.00016 0.00001 -0.00000 -0.00021 0.00010 -0.00007 -0.00001 0.00001 0.00002 0.00002 -0.00008 -0.00021 0.00002 -0.00000 0.00004 -0.00001 -0.00001 0.00012 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00005 -0.00004 0.00006 0.00010 0.00002 -0.00003 -0.00001 0.00011 -0.00009 -0.00004 0.00001 0.00018 0.00003 0.00008 -0.00004 -0.00009 0.00006 -0.00003 -0.00002 0.00002 -0.00001 0.00001 -0.00004 0.00002 0.00006 0.00000 -0.00002 -0.00005 -0.00011 0.00014 -0.00022 -0.00008 0.00019 -0.00004 0.00013 -0.00006 0.00005 0.00007 -0.00004 0.00011 -0.00002 -0.00006 0.00021 0.00014 -0.00000 0.00002 -0.00003 -0.00005 -0.00002 -0.00013 0.00003 0.00015 -0.00004 -0.00001 -0.00003 0.00025 0.00007 0.00002 0.00004 0.00006 0.00006 -0.00007 -0.00007 -0.00015 0.00023 0.00010 -0.00003 -0.00014 0.00022 -0.00004 0.00004 -0.00008 0.00001 -0.00007 -0.00020 -0.00005 0.00001 -0.00003 -0.00013 -0.00010 -0.00024 -0.00008 0.00008 -0.00022 -0.00017 0.00021 -0.00006 -0.00014 0.00002 -0.00001 0.00006 -0.00004 -0.00001 -0.00015 0.00007 0.00006 0.00019 -0.00007 -0.00005 -0.00014 -0.00002 -0.00000 -0.00009 -0.00015 -0.00013 -0.00022 0.00002 0.00004 0.00006 0.00008 0.00011 0.00013 -0.00036 -0.00026 -0.00037 0.00001 -0.00005 0.00005 -0.00001 0.00007 0.00001 -0.00007 -0.00009 -0.00010 -0.00012 0.00026 0.00012 0.00026 0.00015 0.00002 0.00015 -0.00004 -0.00017 -0.00025 0.00017 0.00005 -0.00003 -0.00009 0.00019 -0.00003 -0.00013 0.00016 -0.00007 0.00013 0.00013 0.00020 0.00020 0.00020 0.00019 -0.00029 -0.00023 -0.00025 -0.00019 -0.00013 -0.00015 -0.00025 -0.00019 -0.00020 0.00027 0.00039 0.00040 0.00007 0.00018 0.00020 0.00002 0.00013 0.00015 0.00014 -0.00010 -0.00001 0.00016 -0.00009 0.00001 -0.00012 0.00017 -0.00012 0.00016 -0.00018 -0.00002 0.00009 -0.00022 -0.00005 0.00005 -0.00000 -0.00002 -0.00000 -0.00002 -0.00013 -0.00015 0.00006 -0.00015 0.00001 -0.00020 0.00007 -0.00013 0.00014 0.00012 0.00011 -0.00002 0.00006 0.00010 -0.00008 -0.00000 0.00004 -0.00007 -0.00000 0.00009 -0.00007 0.00015 0.00018 0.00011 0.00003 -0.00003 0.00020 0.00013 0.00028 0.00003 -0.00006 0.00000 0.00034 -0.00007 -0.00001 0.00001 0.00001 -0.00000 0.00004 0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00010 0.00014 -0.00010 0.00002 -0.00004 -0.00012 -0.00015 0.00001 -0.00008 0.00000 0.00000 -0.00000 0.00006 0.00002 0.00001 -0.00001 -0.00009 -0.00011 0.00000 -0.00001 -0.00001 -0.00001 0.00021 0.00029 0.00000 0.00000 -0.00007 0.00002 0.00001 -0.00006 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00006 -0.00013 -0.00002 0.00019 0.00007 0.00010 -0.00002 0.00002 0.00003 -0.00002 -0.00001 0.00005 -0.00006 0.00008 -0.00003 -0.00003 -0.00003 0.00006 -0.00003 0.00010 -0.00010 0.00006 -0.00004 -0.00002 -0.00008 -0.00003 -0.00007 0.00007 0.00000 0.00008 -0.00004 0.00007 -0.00002 -0.00008 -0.00001 0.00013 0.00004 -0.00021 -0.00004 -0.00002 0.00004 -0.00001 -0.00003 0.00004 0.00002 -0.00009 0.00005 0.00013 -0.00016 0.00005 -0.00006 -0.00001 -0.00006 0.00007 0.00003 -0.00023 0.00006 0.00003 -0.00002 0.00002 0.00003 0.00008 -0.00012 0.00018 0.00017 -0.00016 0.00001 0.00006 -0.00019 0.00011 0.00010 -0.00002 0.00013 0.00004 -0.00019 -0.00006 0.00001 0.00002 -0.00016 0.00005 0.00021 0.00008 -0.00007 0.00015 0.00017 -0.00003 0.00028 0.00040 -0.00005 0.00008 -0.00006 0.00011 -0.00018 0.00004 0.00008 -0.00016 -0.00021 0.00023 0.00017 0.00014 0.00016 0.00010 0.00007 -0.00006 -0.00012 -0.00015 -0.00025 -0.00027 -0.00003 -0.00005 0.00006 0.00004 -0.00036 0.00008 -0.00044 -0.00010 -0.00014 -0.00000 -0.00004 -0.00012 -0.00015 0.00017 0.00017 0.00017 0.00016 -0.00004 -0.00011 -0.00011 -0.00002 -0.00009 -0.00010 0.00000 -0.00003 0.00017 0.00009 0.00006 0.00026 -0.00011 0.00018 0.00008 -0.00015 0.00014 0.00004 -0.00011 -0.00011 -0.00019 -0.00019 -0.00016 -0.00015 0.00003 0.00012 -0.00011 -0.00001 0.00008 -0.00015 0.00006 0.00015 -0.00007 -0.00003 -0.00013 -0.00009 0.00005 -0.00004 0.00000 0.00007 -0.00002 0.00002 -0.00010 -0.00015 -0.00008 -0.00008 -0.00012 -0.00006 0.00005 -0.00005 0.00013 0.00003 0.00001 -0.00001 -0.00012 -0.00005 -0.00006 -0.00017 0.00005 -0.00003 0.00014 0.00006 0.00005 -0.00004 -0.00000 0.00000 0.00007 0.00007 -0.00005 -0.00004 0.00022 0.00004 0.00024 -0.00032 -0.00024 -0.00029 -0.00007 0.00001 -0.00004 -0.00016 -0.00019 0.00021 0.00010 0.00013 -0.00001 0.00008 -0.00004 0.00004 -0.00003 0.00005 0.00040 0.00045 -0.00011 -0.00007 0.00020 -0.00020 -0.00000 0.00000 -0.00001 0.00018 0.00003 0.00001 0.00001 0.00004 0.00003 0.00001 -0.00001 0.00002 0.00004 0.00000 0.00017 0.00002 -0.00012 0.00002 0.00016 0.00005 -0.00001 0.00002 0.00022 0.00003 0.00001 -0.00022 0.00001 -0.00018 -0.00001 -0.00000 0.00001 0.00001 0.00014 0.00008 0.00003 0.00000 -0.00002 0.00002 0.00000 0.00006 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00018 0.00004 0.00029 0.00009 0.00007 -0.00003 0.00013 -0.00006 -0.00006 0.00001 0.00023 -0.00003 0.00016 -0.00007 -0.00012 0.00003 0.00003 -0.00005 0.00012 -0.00011 0.00007 -0.00008 -0.00000 -0.00002 -0.00003 -0.00008 0.00002 -0.00011 0.00022 -0.00026 -0.00001 0.00017 -0.00012 0.00012 0.00006 0.00009 -0.00015 -0.00008 0.00009 0.00002 -0.00007 0.00018 0.00018 0.00002 -0.00007 0.00002 0.00008 -0.00019 -0.00008 -0.00003 0.00014 -0.00010 0.00007 0.00001 0.00003 0.00012 0.00006 0.00002 0.00008 0.00009 0.00001 -0.00019 0.00003 0.00040 -0.00006 -0.00002 -0.00007 0.00003 0.00006 0.00014 -0.00010 0.00014 -0.00003 -0.00040 -0.00011 0.00002 -0.00001 -0.00029 -0.00004 -0.00004 0.00001 0.00001 -0.00007 0.00000 0.00018 0.00023 0.00027 -0.00003 0.00007 -0.00000 0.00007 -0.00019 -0.00011 0.00015 -0.00009 -0.00001 0.00016 0.00011 -0.00000 0.00014 0.00010 -0.00002 -0.00021 -0.00026 -0.00037 -0.00023 -0.00024 0.00003 0.00003 0.00017 0.00017 -0.00071 -0.00019 -0.00081 -0.00009 -0.00018 0.00004 -0.00005 -0.00005 -0.00014 0.00010 0.00008 0.00006 0.00004 0.00022 0.00001 0.00014 0.00013 -0.00008 0.00005 -0.00004 -0.00020 -0.00008 0.00026 0.00011 0.00023 -0.00020 0.00037 0.00005 -0.00028 0.00029 -0.00003 0.00002 0.00003 0.00001 0.00001 0.00004 0.00005 -0.00026 -0.00011 -0.00035 -0.00020 -0.00006 -0.00030 -0.00018 -0.00003 -0.00028 0.00024 0.00026 0.00031 0.00012 0.00014 0.00020 0.00009 0.00011 0.00016 0.00004 -0.00025 -0.00010 0.00008 -0.00021 -0.00006 -0.00007 0.00012 0.00000 0.00019 -0.00017 -0.00003 -0.00003 -0.00026 -0.00011 -0.00012 0.00005 -0.00005 0.00014 0.00004 -0.00009 -0.00019 0.00005 -0.00015 0.00008 -0.00012 0.00002 -0.00018 0.00036 0.00017 0.00035 -0.00034 -0.00018 -0.00019 -0.00015 0.00001 -0.00000 -0.00023 -0.00020 0.00031 0.00003 0.00028 0.00017 0.00019 -0.00001 0.00001 0.00017 0.00018 0.00068 0.00048 -0.00017 -0.00007 3.35634 3.47569 1.86370 1.85361 1.85954 3.40261 1.83700 1.82357 1.85679 3.41417 1.85931 1.82350 3.36518 3.34370 3.34587 1.85918 3.34905 3.47158 3.36881 1.85232 3.28603 3.44723 1.84855 1.84709 3.53201 1.86811 1.82336 3.47042 3.54276 3.31204 1.87023 1.82447 1.84859 1.84987 3.51516 3.43256 1.85020 1.85462 3.32801 1.85704 1.85224 3.49236 1.82431 1.85623 1.85485 1.82318 1.85523 1.84827 1.55633 2.56047 1.84209 1.64303 1.66070 1.86969 1.83444 1.90515 1.73943 1.83749 1.67088 1.94403 1.84151 2.57921 1.68143 1.83995 1.72111 1.53183 1.81246 1.93868 1.75888 1.76993 1.71841 1.80855 1.85338 1.81254 1.77041 2.10395 2.21837 1.64808 2.09752 1.80411 2.00614 1.63600 1.99527 1.84688 1.89802 1.69981 1.81654 2.90424 1.83961 1.71709 1.76719 1.51639 1.95801 1.71080 2.42370 1.83441 1.87768 1.82388 2.02376 2.06039 2.01165 1.67138 1.84804 1.79560 2.16336 1.86121 2.80711 1.71812 1.64270 1.80355 2.80146 2.97993 2.95399 3.10645 3.09195 2.96694 3.03904 3.00913 3.02772 3.00472 2.97933 3.03682 3.14598 2.84910 2.89569 3.23942 3.05364 2.91465 3.17422 3.13566 3.01825 2.99311 3.15536 3.32374 3.06492 3.11744 3.04824 3.20802 3.11697 3.01773 3.12111 3.25577 3.28270 3.04149 3.24729 -0.17642 1.67265 -2.76335 -1.73229 0.11678 1.96396 2.90129 -1.53282 0.31437 -1.96021 2.45178 -0.43322 -2.30441 1.22827 -0.64292 1.14006 2.82053 -0.52002 -1.75118 2.87458 1.96617 0.30874 0.09315 -1.56428 -2.93787 -1.17681 -1.03707 0.72399 2.86085 -1.20323 1.05687 0.88981 3.10893 -0.91416 -2.82883 -1.07572 0.94206 -0.86723 0.88588 2.90365 0.86926 2.73678 -0.97111 2.76776 -1.64790 0.92739 0.19944 -1.63305 -2.79256 1.65814 1.93196 0.09947 -3.08999 -0.59852 1.36496 -0.06325 2.42821 -1.89149 1.48324 -2.30848 -0.34500 -1.40754 3.05428 1.03551 1.99891 0.17754 -1.84123 0.28641 -1.53496 2.72946 -0.51117 1.60361 -2.66049 -2.40343 -0.28866 1.73042 -0.02174 2.09020 1.95121 -2.22003 0.40314 -1.43655 2.96775 2.14290 0.30320 -1.57569 2.28299 -2.14216 0.01157 1.86961 -1.66306 0.19498 0.48451 -1.30172 -1.60932 2.88764 2.26572 0.47950 1.01322 3.11888 -0.82126 -0.55725 -2.83664 1.53842 -2.31204 1.69177 -0.21636 -0.69457 1.25168 -1.11994 3.05431 0.58128 0.07298 1.87849 -1.44560 0.35991 2.10157 -2.37610 -0.97691 3.00627 -1.24285 0.49707 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000005 0.000623 0.000185 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.910446e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 1 2 2 3 4 4 4 6 6 6 7 8 10 10 10 11 12 12 13 14 14 15 17 17 17 17 18 20 20 23 23 24 25 26 26 26 29 29 31 32 32 35 35 38 38 36 39 40 42 10 14 12 5 8 28 7 9 30 20 32 11 34 42 29 13 21 35 15 16 20 18 19 27 41 23 21 22 24 25 32 29 27 28 40 30 31 38 33 34 36 37 39 41 1.776 1.8394 0.9862 0.9809 0.984 1.8005 0.9721 0.965 0.9826 1.8067 0.9839 0.9649 1.7808 1.7694 1.7705 0.9838 1.7722 1.8371 1.7828 0.9802 1.7388 1.8242 0.9782 0.9774 1.8689 0.9885 0.9649 1.8366 1.8747 1.7527 0.9897 0.9655 0.9782 0.9789 1.8601 1.8164 0.9791 0.9814 1.7611 0.9827 0.9802 1.848 0.9654 0.9823 0.9815 0.9648 0.9817 0.9781 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 36 36 36 39 39 40 5 5 8 7 7 9 2 2 2 11 11 34 3 3 13 2 2 15 18 18 18 19 19 27 7 7 7 15 15 21 18 18 24 23 27 27 28 11 11 11 25 25 30 8 8 8 24 24 33 13 13 36 1 31 31 39 17 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 10 10 10 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 25 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 36 38 38 38 41 39 40 42 40 42 42 8 28 28 9 30 30 11 34 42 34 42 42 13 21 21 15 16 16 19 27 41 27 41 41 15 21 22 21 22 22 24 25 25 29 28 40 40 25 30 31 30 31 31 24 33 34 33 34 34 36 37 37 35 39 41 41 38 89.1703 146.7143 105.5417 94.1218 95.1457 107.1215 105.1074 109.1498 99.6652 105.2837 95.734 111.3716 105.5129 147.7687 96.3432 105.4279 98.6106 87.7657 103.8489 111.0712 100.7827 101.4052 98.4622 103.6227 106.1923 103.8524 101.4419 120.5464 127.1095 94.4154 120.1942 103.3682 114.9335 93.7428 114.3142 105.8145 108.7433 97.4001 104.0848 166.3954 105.4009 98.386 101.2422 86.8726 112.1844 98.0254 138.8669 105.0992 107.5941 104.5051 115.9545 118.0436 115.2647 95.7593 105.8846 102.8786 123.9446 106.6362 160.8342 98.4364 94.1145 103.335 160.5224 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 1 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 42 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 10 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 3 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 -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 -2 170.7354 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 169.2284 177.9898 177.157 169.9972 174.1227 172.407 173.4679 172.1635 170.6948 173.9984 180.2742 163.2478 165.9097 185.6059 174.9771 166.9996 181.8713 179.6597 172.9324 171.4965 180.7888 190.4255 175.5942 178.601 174.6532 183.802 178.5894 172.8987 178.8369 186.5482 188.0764 174.27 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 36 36 36 39 39 39 40 40 40 36 36 39 39 42 42 39 40 42 36 36 40 40 42 42 5 5 8 8 5 5 5 28 28 28 9 9 9 30 30 30 7 7 7 9 9 9 11 11 34 34 42 42 2 2 2 34 34 34 42 42 42 2 2 2 11 11 11 42 42 42 3 3 3 13 13 13 3 3 21 21 2 2 2 16 16 16 19 19 27 27 41 41 18 18 19 19 41 41 18 19 27 18 18 18 25 25 25 18 24 23 23 23 11 11 25 25 30 30 13 37 31 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 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 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 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 25 25 25 29 29 29 29 29 29 35 35 38 10 10 10 10 10 10 10 10 10 26 26 26 26 26 26 36 36 36 38 38 38 38 38 38 26 26 26 26 32 32 32 32 32 32 20 20 20 20 20 20 29 29 29 29 29 29 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 35 35 35 35 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 41 41 41 32 32 32 32 32 32 25 25 29 29 29 38 38 38 38 38 38 36 36 41 2 11 34 2 11 34 2 11 34 27 28 27 28 27 28 35 35 35 31 41 31 41 31 41 27 40 27 40 24 33 34 24 33 34 15 21 22 15 21 22 11 25 31 11 25 31 15 16 15 16 15 16 25 30 31 25 30 31 25 30 31 8 24 33 8 24 33 8 24 33 7 15 22 7 15 22 36 37 36 37 7 21 22 7 21 22 24 25 24 25 24 25 28 40 28 40 28 40 38 38 38 8 33 34 8 33 34 29 29 11 30 31 39 41 39 41 39 41 1 1 17 -10.1172 95.8292 -158.3281 -99.2611 6.6853 112.5279 166.2439 -87.8097 18.033 -112.2984 140.4903 -24.8235 -132.0348 70.3649 -36.8464 65.3617 161.615 -29.7487 -100.3302 164.7116 112.6508 17.6926 5.3397 -89.6185 -168.3331 -67.4305 -59.4236 41.479 163.9019 -68.9406 60.5461 50.9754 178.1329 -52.3804 -162.0777 -61.6224 53.9803 -49.7039 50.7513 166.3541 49.8164 156.7847 -55.6434 158.5971 -94.4346 53.1373 11.4259 -93.5681 -160.0026 95.0034 110.6907 5.6967 -177.0286 -34.2864 78.2267 -3.6125 139.1296 -108.3572 84.9935 -132.2643 -19.7511 -80.6598 174.9828 59.3127 114.5218 10.1644 -105.5057 16.4049 -87.9526 156.3773 -29.2901 91.8944 -152.4297 -137.7113 -16.5268 99.1491 -1.2413 119.7532 111.796 -127.2096 23.1085 -82.3067 170.041 122.7939 17.3787 -90.2736 130.8027 -122.7336 0.6552 107.1189 -95.2813 11.1824 27.7573 -74.5744 -92.2117 165.4566 129.8151 27.4833 58.0325 178.6891 -47.075 -31.9087 -162.517 88.1562 -132.4614 96.9303 -12.3965 -39.7826 71.727 -64.1853 174.9972 33.2888 4.1716 107.6192 -82.8266 20.6209 120.4015 -136.151 -56.0113 172.2188 -71.2001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0450224855 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2274,-.4102,-1.7812;1.0711,-1.5932,.8691;2.3203,2.191,-.7192;-3.1779,-2.9563,-1.5684;-2.5627,-3.6423,-1.8449;1.5846,2.1194,3.2894;2.2975,1.6576,2.7974;-2.9209,-2.747,-.6461;1.6751,3.0441,3.0395;.1208,-1.3482,.7875;.0219,-.459,1.2003;3.2077,1.8193,-.684;3.1462,.9824,-1.1919;2.8184,-1.7966,.79;3.0773,-.964,1.2287;2.9449,-1.6013,-.1519;-3.0004,1.4574,-1.1294;-3.1048,1.1092,-.211;-3.7503,2.0416,-1.2768;3.412,.7691,1.7822;3.3637,1.2021,.8936;4.3236,.8791,2.0721;-3.0973,.5019,1.3991;-2.9814,-.4585,1.2783;-2.2103,.8071,1.6644;-2.256,-.6748,-2.8167;-2.62,.0544,-2.2812;-2.6054,-1.4907,-2.3989;-.3945,1.1492,1.7019;.2695,1.5403,2.3136;-.2826,1.6032,.8386;-2.4289,-2.2095,.9514;-2.5753,-2.8245,1.6773;-1.4613,-2.0382,.9363;2.9113,-.6333,-1.8805;1.9403,-.6175,-2.0215;3.3007,-.8411,-2.7355;-.2691,2.1664,-.8545;.0147,1.3115,-1.2389;-.6345,-.5689,-2.2367;-1.2348,2.1442,-.9802;.1269,-.8,-.8848; 0.000000 3.022553 0.000000 3.503450 4.289966 0.000000 4.257277 5.084646 7.579338 0.000000 4.270366 4.976906 7.690211 0.962071 0.000000 5.826841 4.461483 4.076261 8.487759 8.761210 0.000000 5.433685 3.973659 3.556965 8.386205 8.559335 0.981664 0.000000 4.081791 4.423029 7.201341 0.980016 1.538504 7.711625 7.647868 0.000000 6.104617 5.155519 3.907909 8.988208 9.301818 0.962146 1.538964 8.260900 0.000000 2.736737 0.984777 4.431050 4.360928 4.403856 4.519548 4.220487 3.641941 5.174838 0.000000 2.988964 1.580129 3.998719 4.913320 5.107535 3.668058 3.494173 4.159811 4.288021 0.985274 0.000000 3.880254 4.315362 0.962764 8.022737 8.029624 4.302669 3.602082 7.642758 4.208717 4.661253 4.346300 0.000000 3.287208 3.897143 1.538238 7.459851 7.376078 4.879936 4.134106 7.142521 4.931424 4.301496 4.190609 0.980844 0.000000 3.904635 1.760859 4.292623 6.546926 6.269415 4.806716 4.028944 5.992062 5.458872 2.734605 3.126919 3.924087 3.428999 0.000000 4.181872 2.133080 3.784364 7.135863 6.959190 3.997770 3.153026 6.532398 4.616238 3.013834 3.096957 3.379624 3.106841 0.976080 0.000000 3.384957 2.133919 3.885075 6.428885 6.112717 5.247588 4.442771 5.996973 5.777289 2.986972 3.417143 3.471701 2.792466 0.970184 1.526381 0.000000 3.785680 5.466018 5.386712 4.438964 5.168206 6.402076 6.597604 4.232755 6.461990 4.613850 4.270174 6.234598 6.165231 6.937607 6.954285 6.757014 0.000000 3.984683 5.089952 5.555188 4.286755 5.053794 5.938275 6.207731 3.885019 6.095551 4.176130 3.771886 6.369876 6.328715 6.673019 6.677478 6.629367 0.987738 0.000000 4.699733 6.407988 6.097968 5.038975 5.834376 7.022608 7.302236 4.900593 7.004952 5.544099 5.159286 6.986727 6.977825 7.883531 7.869341 7.704597 0.961939 1.556263 0.000000 4.922440 3.448746 3.077527 8.278400 8.265222 2.726663 1.749914 7.639698 3.126235 4.037860 3.652337 2.688320 2.993610 2.814147 1.849819 3.094820 7.076070 6.823274 7.891477 0.000000 4.426147 3.615323 2.160560 8.133080 8.129650 3.121969 2.229049 7.580410 3.293769 4.126982 3.744471 1.701234 2.108338 3.049636 2.210487 3.021254 6.682834 6.562795 7.484955 0.989687 0.000000 5.769617 4.258823 3.677741 9.177956 9.121765 3.243817 2.288435 8.545095 3.554924 4.926857 4.588518 3.118537 3.471406 3.326923 2.379342 3.605474 8.014023 7.774654 8.817775 0.962814 1.553833 0.000000 4.690482 4.695344 6.057360 4.557598 5.290011 5.301859 5.691693 3.843094 5.650590 3.762082 3.269969 6.769687 6.776870 6.375725 6.348548 6.583124 2.704790 1.720859 3.155564 6.526091 6.518535 7.460875 0.000000 4.433929 4.228174 6.254470 3.792259 4.479557 5.615866 5.886621 2.990678 6.087055 3.264322 3.004310 6.880702 6.762060 5.972105 6.079923 6.202569 3.077070 2.165915 3.656583 6.529648 6.570095 7.468670 0.974927 0.000000 4.392769 4.142648 5.303121 5.054735 5.677759 4.331710 4.725191 4.298257 4.689427 3.293662 2.607928 5.991166 6.072959 5.729873 5.593324 5.972871 2.975295 2.099592 3.542024 5.623670 5.640900 6.546937 0.974875 1.531509 0.000000 2.703671 5.049642 5.792688 2.759257 3.137671 7.735805 7.595619 3.073676 7.973592 4.369589 4.622962 6.373483 5.879651 6.325837 6.700250 5.916829 2.819050 3.269999 3.461597 7.440552 6.990800 8.343015 4.457106 4.164426 4.719995 0.000000 2.928043 5.124755 5.604594 3.143794 3.722811 7.278348 7.248756 3.257526 7.462908 4.346946 4.400421 6.295065 5.941078 6.514111 6.768691 6.184047 1.854635 2.373506 2.497070 7.308019 6.870346 8.236735 3.738044 3.614416 4.037573 0.975138 0.000000 3.094183 4.920068 6.374863 1.779172 2.222244 7.933800 7.807157 2.179416 8.274161 4.195889 4.573937 6.905718 6.376037 6.299178 6.762373 5.988859 3.233943 3.434483 3.878987 7.667945 7.329557 8.579957 4.317073 3.837772 4.684649 0.981005 1.549591 0.000000 3.866616 3.219016 3.783893 5.941127 6.343466 2.716285 2.950527 5.203439 3.108505 2.708947 1.735304 4.372392 4.575874 4.453275 4.091789 4.706732 3.860359 3.317584 4.574989 3.826296 3.844544 4.740249 2.795700 3.075058 1.848094 5.216350 4.692188 5.354754 0.000000 4.535860 3.542314 3.718534 6.868351 7.223212 1.736906 2.088204 6.108981 2.182586 3.270254 2.301779 4.206742 4.568943 4.466887 3.915636 4.806904 4.749108 4.236193 5.413066 3.279102 3.421244 4.114691 3.640106 3.954180 2.666186 6.132341 5.627583 6.297600 0.983925 0.000000 3.343223 3.471372 3.089941 5.913110 6.317860 3.124031 3.239949 5.299862 3.279115 2.979252 2.115706 3.814127 4.032996 4.601852 4.246374 4.654756 3.358663 3.051225 4.085527 3.903428 3.668777 4.823160 3.074016 3.424507 2.243088 4.737579 4.194638 5.044633 0.981857 1.576265 0.000000 4.214358 3.554763 6.686564 2.732810 3.144902 6.349242 6.379694 1.755896 6.985829 2.696187 3.021982 7.118738 6.772240 5.265948 5.652080 5.519435 4.254662 3.580741 4.978201 6.608911 6.722831 7.509324 2.828214 1.864906 3.107401 4.072354 3.951113 3.431069 3.997774 4.816401 4.376677 0.000000 5.064184 3.932650 7.407169 3.303785 3.615925 6.659248 6.714781 2.350272 7.373015 3.200047 3.545250 7.783572 7.447199 5.562038 5.967839 5.942627 5.137368 4.395447 5.812557 6.983759 7.218048 7.840067 3.378562 2.433458 3.649941 4.991945 4.894847 4.288951 4.532813 5.248765 5.056100 0.962605 0.000000 3.589871 2.572091 5.909973 3.172200 3.394283 5.665720 5.590312 2.266423 6.331657 1.732427 2.182554 6.269390 5.906129 4.289007 4.673166 4.559535 4.342219 3.731413 5.175103 5.687326 5.812278 6.577623 3.056631 2.218775 3.031022 4.071296 4.009169 3.568168 3.447259 4.206985 3.828648 0.982713 1.551912 0.000000 2.694953 3.445057 3.110432 6.524720 6.246625 6.005525 5.244840 6.324995 6.265607 3.926382 4.227314 2.744953 1.772014 2.914334 3.131162 1.981485 6.315319 6.482034 7.203879 3.953900 3.357028 4.461529 6.938920 6.688241 6.393112 5.251603 5.588226 5.606932 5.190344 5.412462 4.753607 6.246724 6.896566 5.387742 0.000000 1.742056 3.172291 3.119058 5.645464 5.427516 5.985309 5.341000 5.482468 6.252323 3.425682 3.753049 3.055066 2.168493 3.172626 3.460731 2.339304 5.432486 5.631407 6.325217 4.307816 3.719624 4.967655 6.191298 5.927693 5.730900 4.271409 4.616834 4.644175 4.736768 5.122665 4.248946 5.519282 6.240446 4.726303 0.981280 0.000000 3.246729 4.304676 3.770996 6.914348 6.558928 6.928915 6.153324 6.834154 7.147567 4.772905 5.136794 3.360811 2.394151 3.684360 3.972397 2.716525 6.896823 7.155891 7.755871 4.797418 4.165292 5.207559 7.735223 7.464692 7.241998 5.559786 6.005193 5.951226 6.107917 6.352412 5.620411 6.949362 7.611465 6.131198 0.962184 1.552522 0.000000 2.782833 4.347634 2.593052 5.934066 6.323251 4.539879 4.492559 5.587215 4.439923 3.898821 3.346599 3.498250 3.630398 5.286032 5.033634 5.001909 2.835224 3.094008 3.508922 4.738739 4.145278 5.595955 3.981027 4.335439 3.458426 3.983805 3.467408 4.606290 2.754276 3.274032 1.784378 5.203319 6.052945 4.723060 4.359604 3.740861 5.032572 0.000000 1.817524 3.741272 2.521840 5.339939 5.616984 4.860378 4.650087 5.043797 4.905432 3.345373 3.014014 3.280445 3.149105 4.651569 4.543836 4.272234 3.020593 3.290659 3.835262 4.578599 3.971901 5.451266 4.159247 4.294863 3.692411 3.404521 3.099679 4.007791 2.973623 3.569029 2.118847 4.813058 5.684954 4.257976 3.547436 2.835805 4.203726 0.979407 0.000000 0.987721 3.688440 4.318658 3.551789 3.649339 6.533703 6.236699 3.535741 6.798926 3.213050 3.500811 4.782978 4.218039 4.752932 5.093382 4.268973 3.305923 3.608558 4.176575 5.858014 5.377868 6.726421 4.520103 4.227935 4.426604 1.725384 2.081455 2.181842 4.303734 5.096227 3.781409 4.009407 4.916705 3.593079 3.564229 2.584267 3.976010 3.086411 2.225480 0.000000 3.050305 4.765017 3.565027 5.489631 5.999548 5.116605 5.194712 5.184356 5.043333 4.142360 3.620841 4.464253 4.537374 5.923808 5.756243 5.673148 1.900322 2.271449 2.534932 5.578117 5.054273 6.466286 3.439085 3.863367 3.119786 3.515959 2.824599 4.135586 2.981651 3.671143 2.123070 4.910302 5.791968 4.606135 5.071025 4.335091 5.706469 0.974151 1.523662 3.049541 0.000000 0.982700 2.144030 3.712728 4.004876 4.029292 5.298232 4.930469 3.624493 5.707261 1.759861 2.115326 4.048697 3.519539 3.322926 3.632939 3.019928 3.864657 3.813503 4.822934 4.512924 4.200947 5.401278 4.160160 3.802254 3.813585 3.070282 3.197712 3.199259 3.280546 3.965725 2.985430 3.448243 4.238532 2.715126 2.961758 2.148002 3.674191 2.992867 2.143877 1.568734 3.245209 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4325,-1.6281,.7452;-.7644,-.6582,-1.8553;-2.5599,-.3335,2.0273;4.2201,-1.4072,-1.1861;3.9499,-2.2328,-1.5996;-3.0608,2.8875,-.4202;-3.4228,1.9818,-.5314;3.6506,-.7237,-1.5972;-3.3458,3.1581,.458;.0481,-.1915,-1.5522;-.2512,.6273,-1.0931;-3.2635,-.8756,1.656;-2.8062,-1.6697,1.3062;-2.2642,-1.5536,-2.0777;-2.8787,-.895,-1.7016;-2.1579,-2.196,-1.3585;2.6061,1.1928,2.0294;2.5325,1.7273,1.2021;3.1546,1.7081,2.6285;-3.8658,.2961,-.6874;-3.6882,-.1075,.1986;-4.8113,.188,-.8337;2.23,2.5865,-.2579;2.4486,1.9377,-.952;1.2555,2.5745,-.2332;3.0709,-1.4959,1.3209;3.0234,-.5614,1.5953;3.5082,-1.477,.4429;-.5045,2.027,-.0991;-1.4053,2.4089,-.203;-.4858,1.5863,.7781;2.5694,.5339,-2.1738;2.6711,.802,-3.0927;1.6453,.2104,-2.0896;-1.9046,-2.9395,.4607;-.9871,-2.63,.6197;-1.9417,-3.8422,.7916;-.1645,.6338,2.2523;-.0515,-.223,1.7915;1.3968,-1.6886,.9504;.7551,.9321,2.3717;.3744,-1.1336,-.1021; 0.4100658 0.2376245 0.2156131 -19.13063 -19.12896 -19.12872 -19.12578 -19.12406 -19.12322 -19.12204 -19.11817 -19.11601 -19.11493 -19.11353 -19.11353 -19.11221 -19.11099 -1.03195 -1.02805 -1.02223 -1.02052 -1.01694 -1.01397 -1.01264 -1.00922 -1.00473 -1.00186 -1.00085 -0.99560 -0.99184 -0.98281 -0.54877 -0.54738 -0.53957 -0.53849 -0.53585 -0.53451 -0.53314 -0.53099 -0.52577 -0.52548 -0.52254 -0.52037 -0.51855 -0.51723 -0.44008 -0.43409 -0.42884 -0.42182 -0.41298 -0.40960 -0.40486 -0.40420 -0.40279 -0.39368 -0.38745 -0.38609 -0.37860 -0.36821 -0.33052 -0.32885 -0.32681 -0.32540 -0.32418 -0.32292 -0.32196 -0.32116 -0.31899 -0.31779 -0.31658 -0.31559 -0.31335 -0.31113 -0.00063 0.02317 0.03843 0.04262 0.05915 0.06391 0.06892 0.07730 0.09060 0.09478 0.10261 0.10599 0.10994 0.11452 0.12175 0.12813 0.13269 0.13839 0.13977 0.14532 0.15084 0.15239 0.15406 0.15606 0.16819 0.17505 0.17613 0.17889 0.18437 0.18990 0.19437 0.19802 0.20198 0.20512 0.21328 0.21452 0.21482 0.21631 0.22204 0.23062 0.23267 0.23845 0.24430 0.24464 0.24975 0.25297 0.25924 0.26386 0.26606 0.26845 0.27244 0.27411 0.27934 0.28078 0.28284 0.28952 0.29050 0.29119 0.29709 0.29904 0.30461 0.30662 0.31201 0.31364 0.32230 0.33797 0.34421 0.34738 0.36600 0.37394 0.39941 0.41315 0.42429 0.44002 0.44788 0.45401 0.46380 0.47625 0.48040 0.48994 0.50412 0.50727 0.51173 0.52478 0.53250 0.53477 0.54569 0.54954 0.55674 0.56234 0.57265 0.57388 0.58184 0.58474 0.59712 0.60064 0.60350 0.61039 0.62307 0.63024 0.63656 0.64671 0.65487 0.65871 0.66635 0.67543 0.68566 0.68824 0.69268 0.70514 0.71724 0.73757 0.93227 0.95052 0.95400 0.96124 0.96942 0.97615 0.98282 0.99106 0.99430 1.00284 1.00715 1.01199 1.01381 1.02037 1.02737 1.03558 1.03754 1.05328 1.05691 1.06134 1.06342 1.06855 1.07343 1.07821 1.08412 1.08897 1.09819 1.10753 1.11040 1.11871 1.12396 1.13002 1.13662 1.13924 1.14895 1.16402 1.16733 1.17598 1.17871 1.19151 1.20887 1.21965 1.23826 1.24331 1.25960 1.26538 1.27078 1.28330 1.29024 1.29928 1.30560 1.31128 1.32064 1.32294 1.33080 1.34523 1.35216 1.35682 1.36875 1.37456 1.38993 1.39293 1.40339 1.40923 1.41419 1.42856 1.43538 1.43948 1.44270 1.45268 1.46189 1.47244 1.47879 1.48237 1.49998 1.50850 1.51871 1.52211 1.52614 1.55535 1.56278 1.56696 1.57247 1.59449 1.59744 1.60481 1.60933 1.61769 1.62300 1.63359 1.64802 1.65780 1.66443 1.68372 1.68585 1.69124 1.71556 1.72025 1.73219 1.73880 1.75075 1.75336 1.77455 1.78391 1.80224 1.80680 1.81834 1.82683 1.83714 1.84709 1.87324 1.88861 2.02153 2.02719 2.04568 2.04698 2.04914 2.05879 2.09663 2.20010 2.25084 2.26322 2.27259 2.27548 2.29920 2.30773 2.33557 2.33661 2.35527 2.36857 2.38583 2.39862 2.41353 2.43660 2.44093 2.45611 2.45954 2.46925 2.48632 2.53139 2.55633 2.56797 2.58730 2.60523 2.63334 2.65409 2.69088 2.69939 2.70349 2.71199 2.72912 2.73259 2.73458 2.74454 2.75363 2.76182 2.77231 2.79317 2.80383 2.82221 2.82550 2.83389 2.84971 2.86314 2.87690 2.89656 2.90143 2.92906 3.07223 3.07333 3.08159 3.08515 3.08981 3.09192 3.09692 3.09977 3.10518 3.10988 3.11319 3.11780 3.13033 3.13506 3.13915 3.14025 3.14946 3.15420 3.15574 3.16281 3.17139 3.18302 3.18734 3.19134 3.20138 3.21741 3.22073 3.22533 3.28567 3.30572 3.31282 3.31971 3.32350 3.33075 3.34007 3.34103 3.35526 3.36677 3.37194 3.37984 3.38853 3.42865 3.69032 3.69379 3.70771 3.71338 3.71802 3.72717 3.73609 3.74116 3.75450 3.76149 3.76700 3.77842 3.80305 3.82172 3.90271 3.91089 3.91253 3.92587 3.93165 3.93691 3.94019 3.94738 3.94944 3.95386 3.97368 3.99467 4.00069 4.02797 5.01209 5.01381 5.02090 5.02453 5.03524 5.04144 5.04540 5.05337 5.07381 5.07934 5.09075 5.13252 5.14377 5.15305 5.38859 5.39414 5.40422 5.42097 5.42672 5.43484 5.44948 5.46490 5.48265 5.49668 5.50148 5.52945 5.54446 5.55696 5.65454 5.66856 5.67299 5.68012 5.68704 5.68904 5.69354 5.71947 5.72440 5.73779 5.75169 5.76458 5.77398 5.79401 49.88462 49.88809 49.90774 49.91826 49.92347 49.93097 49.93412 49.94358 49.94736 49.95084 49.96126 49.96905 49.98434 50.01072 1-A. -4.0573 -1.5492 -0.7781 4.4121 -97.9793 -96.8729 -98.2694 4.2512 -10.9191 8.8088 -0.2721 0.8343 -0.5622 4.2512 -10.9191 8.8088 -177.2501 -104.9687 -31.1866 -22.5712 39.7247 -12.0786 71.6245 35.2868 36.4337 24.1931 -3812.0619 -1628.3637 -1209.6689 75.1394 129.9531 39.3596 74.0992 -94.3046 -15.3379 -941.4795 -810.0761 -485.0022 168.8139 -146.8641 39.9535 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6973;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; 0.000000 3.010514 0.000000 3.603816 4.091853 0.000000 4.189407 5.488270 7.380586 0.000000 4.327147 5.598908 7.742615 0.964985 0.000000 6.160090 4.453050 4.119146 8.680092 9.167093 0.000000 5.813974 4.048821 3.646813 8.704885 9.108403 0.983889 0.000000 3.910013 4.726530 6.937390 0.982567 1.546244 7.878014 7.924367 0.000000 6.702642 5.285890 4.229044 9.320112 9.850724 0.964950 1.549092 8.559663 0.000000 2.798064 0.984036 4.246454 4.717856 4.944643 4.531109 4.323424 3.909566 5.345259 0.000000 3.066278 1.566563 3.727487 5.134991 5.511954 3.712808 3.618244 4.331332 4.480417 0.983836 0.000000 4.013969 4.173382 0.972082 7.987817 8.262343 4.262393 3.596863 7.524464 4.390051 4.540266 4.131863 0.000000 3.426574 3.795812 1.536837 7.547952 7.723114 4.872704 4.159847 7.125773 5.142582 4.243274 4.042979 0.980194 0.000000 3.883569 1.800485 4.127396 7.027398 7.007822 4.753073 4.026114 6.352753 5.510310 2.775875 3.129691 3.782702 3.287159 0.000000 4.309676 2.212513 3.709370 7.598354 7.677971 3.959522 3.154370 6.892282 4.669676 3.098645 3.152903 3.295922 3.027840 0.978214 0.000000 3.339238 2.171419 3.684557 6.873278 6.827944 5.190564 4.435400 6.306312 5.852929 3.036965 3.386749 3.302862 2.616998 0.977429 1.537095 0.000000 3.894843 5.551268 4.760576 4.492062 5.289143 6.423409 6.628532 4.353620 6.644031 4.805703 4.359686 5.690439 5.759998 6.911106 6.938419 6.637663 0.000000 4.002336 5.145361 4.935465 4.249076 5.095654 5.959352 6.248365 3.932953 6.258815 4.312585 3.828112 5.840314 5.929691 6.648487 6.669046 6.511261 0.988546 0.000000 4.828921 6.486839 5.470421 5.047798 5.893604 7.013003 7.298390 4.997534 7.143140 5.724304 5.236526 6.425150 6.565787 7.848704 7.837764 7.578397 0.964876 1.562107 0.000000 5.263032 3.571158 3.195535 8.697097 8.938669 2.742116 1.769403 7.983951 3.196655 4.186574 3.787107 2.724214 3.033134 2.833350 1.868944 3.109554 7.053435 6.819537 7.838235 0.000000 4.728279 3.638860 2.276794 8.408175 8.667149 3.099414 2.218113 7.774220 3.405646 4.182189 3.749387 1.738809 2.149875 2.998276 2.171155 2.966178 6.494727 6.385265 7.268568 0.989686 0.000000 6.071182 4.403580 3.811494 9.612577 9.820082 3.316708 2.345901 8.908535 3.618637 5.090017 4.739708 3.170201 3.493382 3.377996 2.431251 3.628366 7.948471 7.749352 8.717102 0.965471 1.559620 0.000000 4.527294 4.599508 5.449954 4.362099 5.183457 5.276305 5.695355 3.716677 5.736420 3.678446 3.161760 6.244298 6.354046 6.270649 6.273566 6.392904 2.733933 1.752747 3.212273 6.491699 6.309104 7.445275 0.000000 4.206831 4.168910 5.707401 3.623108 4.387665 5.626939 5.945665 2.871309 6.210436 3.194435 2.924384 6.427565 6.399064 5.929275 6.070522 6.078497 3.174620 2.265157 3.771874 6.565267 6.432694 7.528530 0.978225 0.000000 4.278673 4.011864 4.700373 4.947979 5.684766 4.311291 4.719662 4.238496 4.785608 3.182865 2.474708 5.456959 5.636524 5.581275 5.478824 5.741030 2.978859 2.114792 3.566937 5.562744 5.405662 6.508471 0.978902 1.543128 0.000000 2.741856 5.277679 5.507394 2.784417 3.223012 7.904587 7.828514 3.078009 8.342905 4.653357 4.779100 6.197602 5.808838 6.523476 6.922508 6.067051 2.805842 3.176953 3.438891 7.682949 7.112375 8.551414 4.282966 4.020097 4.594576 0.000000 3.002159 5.308950 5.186939 3.194538 3.833007 7.392498 7.410577 3.326674 7.765525 4.610255 4.537936 5.979468 5.742106 6.634672 6.908582 6.237417 1.836586 2.284651 2.470891 7.457654 6.881103 8.347639 3.608153 3.538964 3.938514 0.979070 0.000000 3.106985 5.251486 6.134561 1.806679 2.310650 8.127457 8.092940 2.196725 8.643706 4.547073 4.782593 6.802282 6.390476 6.639495 7.108987 6.288221 3.230764 3.344178 3.841426 8.004105 7.534029 8.900323 4.123227 3.679286 4.563786 0.981419 1.559527 0.000000 3.988673 3.208222 3.277241 6.066884 6.641946 2.758833 2.997916 5.341080 3.268882 2.760286 1.782763 3.906850 4.220326 4.369776 4.033562 4.543396 3.820008 3.299039 4.521718 3.805589 3.645190 4.735233 2.777384 3.118204 1.816387 5.249218 4.697132 5.435106 0.000000 4.719796 3.523149 3.344384 7.007322 7.552111 1.780781 2.118802 6.250244 2.314023 3.295670 2.338147 3.822521 4.283962 4.378728 3.846850 4.655629 4.700201 4.209257 5.343095 3.244043 3.227360 4.111600 3.615702 3.983422 2.636994 6.189754 5.645283 6.398985 0.982693 0.000000 3.490826 3.391775 2.465290 6.039674 6.600835 3.217248 3.278680 5.429943 3.562947 3.023191 2.151016 3.226893 3.556620 4.388650 4.067664 4.351427 3.365907 3.090593 4.098971 3.793976 3.382200 4.699665 3.118279 3.493607 2.277610 4.782331 4.222740 5.132743 0.980158 1.583884 0.000000 3.950661 3.637136 6.327511 2.748080 3.201131 6.448029 6.562653 1.770540 7.197960 2.731279 3.064188 6.870444 6.595884 5.403744 5.819032 5.593429 4.447065 3.744464 5.171259 6.811523 6.768931 7.744023 2.829755 1.860072 3.129022 4.070839 4.032767 3.452819 4.144551 4.946859 4.504495 0.000000 4.816969 4.047525 7.088718 3.309499 3.657537 6.755642 6.913002 2.358579 7.552715 3.221568 3.591475 7.583839 7.320579 5.772799 6.196132 6.091384 5.313392 4.542886 5.985818 7.229798 7.305307 8.138287 3.379699 2.434053 3.678914 4.992169 4.968175 4.309334 4.697526 5.398821 5.195856 0.965380 0.000000 3.379929 2.656900 5.618351 3.329466 3.647931 5.778631 5.789836 2.394781 6.568743 1.772151 2.244123 6.077881 5.775738 4.423425 4.845606 4.641302 4.541187 3.896322 5.369185 5.908140 5.889715 6.826927 3.037564 2.188933 3.027836 4.159390 4.151170 3.708051 3.606449 4.348696 3.958365 0.982273 1.554316 0.000000 2.722277 3.420304 3.119271 6.780880 6.742079 6.080088 5.360668 6.439120 6.550323 3.958656 4.188258 2.794594 1.824169 2.825732 3.131659 1.864235 6.128814 6.284138 7.022320 4.071779 3.470986 4.543195 6.669046 6.454226 6.109882 5.321518 5.559685 5.782965 5.020061 5.295309 4.473352 6.156878 6.858190 5.328700 0.000000 1.775992 3.191796 3.155067 5.850143 5.837525 6.170576 5.572085 5.556235 6.668599 3.512198 3.782879 3.132468 2.255924 3.136442 3.537210 2.272487 5.335426 5.508787 6.240759 4.528850 3.919933 5.143893 5.978143 5.726678 5.520595 4.349674 4.626813 4.805649 4.675074 5.122380 4.105158 5.418755 6.180476 4.664628 0.981550 0.000000 3.298272 4.269922 3.856262 7.228927 7.097735 6.999279 6.248677 6.985696 7.438761 4.815634 5.114118 3.466833 2.494766 3.543870 3.913781 2.568690 6.780293 7.018843 7.649081 4.863647 4.255601 5.218355 7.509603 7.267576 6.999122 5.705275 6.051648 6.196860 5.964923 6.249583 5.381137 6.876954 7.582038 6.082993 0.964785 1.560924 0.000000 2.813422 4.187522 1.962532 5.882820 6.389147 4.809616 4.669441 5.540158 4.991090 3.897341 3.355118 2.889144 3.042373 4.949207 4.789284 4.535493 2.815781 3.109372 3.552141 4.671851 3.929613 5.469001 4.008392 4.326976 3.496940 3.857373 3.358448 4.514852 2.800761 3.380310 1.848045 5.183132 6.051677 4.710220 3.875232 3.375187 4.597832 0.000000 1.839362 3.606050 2.233029 5.251174 5.654132 5.174045 4.929414 4.926110 5.504696 3.344858 3.031033 2.978592 2.812303 4.397827 4.418189 3.909503 3.014310 3.264800 3.879153 4.681745 3.976026 5.499545 4.074861 4.168656 3.635986 3.285492 3.005568 3.909089 3.040904 3.709297 2.216177 4.683493 5.575318 4.156592 3.186834 2.538267 3.898695 0.981742 0.000000 0.986231 3.759687 4.240006 3.477580 3.692860 6.767274 6.527617 3.365663 7.278050 3.340422 3.571513 4.778577 4.265633 4.819094 5.247768 4.314271 3.359984 3.554228 4.246331 6.138006 5.588000 6.973822 4.296039 3.965151 4.253330 1.761120 2.136132 2.176845 4.348423 5.190587 3.851379 3.772737 4.697059 3.437898 3.629269 2.656158 4.100313 3.025046 2.148647 0.000000 3.123964 4.687555 2.914776 5.461050 6.074911 5.276915 5.292435 5.182161 5.440064 4.208202 3.653523 3.858080 4.009746 5.690103 5.582780 5.325085 1.874743 2.286299 2.574568 5.503352 4.822557 6.335396 3.478276 3.891500 3.156416 3.410211 2.723574 4.058696 2.979822 3.700565 2.152034 4.956751 5.846922 4.662649 4.693707 4.069314 5.384664 0.978062 1.537320 3.032751 0.000000 0.980888 2.177751 3.743201 4.015903 4.194044 5.591148 5.294696 3.520847 6.229715 1.837069 2.209966 4.142274 3.639895 3.385923 3.825423 3.073183 3.982910 3.845239 4.945820 4.874363 4.498930 5.738800 3.985461 3.570021 3.683679 3.164222 3.308565 3.290282 3.416491 4.149122 3.139140 3.195909 4.006781 2.502299 3.043849 2.247180 3.765829 3.026730 2.160793 1.582525 3.317861 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7406,-1.7971,.2774;-.8725,-.5482,-1.9366;-2.1227,-.3936,1.9566;4.5535,-.8248,-1.1604;4.6094,-1.6514,-1.6552;-3.2706,2.8394,-.3232;-3.6641,1.9397,-.3841;3.8358,-.3139,-1.5955;-3.6755,3.242,.4547;-.0607,-.0289,-1.7377;-.3515,.6944,-1.1375;-2.9082,-.9003,1.6896;-2.5371,-1.7059,1.2723;-2.3883,-1.5174,-2.006;-3.0315,-.8996,-1.604;-2.1905,-2.1458,-1.284;2.3729,1.1474,2.2358;2.3136,1.7015,1.4193;2.8563,1.674,2.8838;-4.0564,.2191,-.5126;-3.6954,-.1612,.3268;-5.0001,.0155,-.5093;1.9918,2.5386,-.0866;2.2647,1.9643,-.83;1.0164,2.4586,-.0694;3.2593,-1.3268,1.2533;3.054,-.449,1.6352;3.7736,-1.1426,.438;-.7075,1.9157,.1114;-1.6134,2.2858,.021;-.7073,1.3198,.8896;2.5268,.7206,-2.1881;2.6492,1.0933,-3.0701;1.6122,.3628,-2.1719;-1.7007,-3.0016,.2981;-.754,-2.752,.3693;-1.7536,-3.944,.4974;-.2243,.0626,2.1551;.0568,-.6542,1.5461;1.6724,-1.6929,.583;.616,.5094,2.3807;.6126,-1.1804,-.4746; 0.4248083 0.2320897 0.2141409 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= 488 488 488 488 488 MxSgAt= 42 MxSgA2= 42. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.77D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 484 483 483 483 484 MxSgAt= 42 MxSgA2= 42. 1 -1.59624567e+00 -6.09489799e-01 -3.06137338e-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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.001030669 0.000522034 -0.001628804 -0.000355014 0.000151162 0.000201721 -0.003780009 0.001795551 -0.000566539 -0.002650054 0.000816418 -0.002413912 0.001608824 -0.002728170 -0.001046991 -0.001813803 -0.000569823 0.002957536 0.002332232 -0.001404661 -0.001464030 0.000964192 0.000526960 0.003212545 0.000428667 0.003434607 -0.000044478 -0.000623921 -0.001648811 -0.000165715 -0.000049741 0.000812819 0.001033625 0.002434108 0.001388933 0.000947968 -0.000274912 -0.002253752 -0.001471249 -0.000211910 -0.003331596 0.001548876 0.001151423 0.003063869 0.001676176 0.000646664 0.001181031 -0.004265578 0.002580994 -0.000335112 -0.002101956 -0.000646987 -0.000169857 0.001262359 -0.002348518 0.001604848 -0.000700861 -0.001434957 -0.001795029 0.001283284 0.000320254 0.000321070 -0.000798757 0.002678261 0.000159662 0.001165603 -0.002678213 0.001308877 0.000235119 0.000325152 -0.003517797 -0.000164687 0.003328477 0.000727241 0.001034118 0.000207311 -0.000076605 -0.002733601 -0.000967644 0.002928507 0.001715635 -0.000831321 -0.001286927 0.000286491 -0.002239203 -0.000508618 0.001243553 0.000258932 -0.000165207 0.000011902 0.000323326 0.001335422 -0.001056504 -0.002289983 0.001175361 -0.001225402 -0.000790084 -0.001803260 0.001985963 0.002340718 0.000511770 -0.000028187 0.001757428 -0.000797015 0.002734699 -0.002830821 0.000149277 -0.000542928 0.001596905 -0.000730359 -0.002230231 0.002292213 0.002683146 0.000699339 0.001097150 -0.002166467 -0.001374478 0.000473272 0.000203742 -0.000005570 -0.003109222 -0.000455764 -0.000633276 -0.000250857 -0.001057474 0.001427221 0.004265578 0.001662991 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.74407590954 -1070.74407691989 -0.000001010354 -1070.74407691448 0.000000005411 -1070.74407693464 -0.000000020158 -1070.74407693490 -0.000000000267 -1070.74407693495 -0.000000000043 -1070.74407693 6 1.067085490759e+03 -5.099501139009e+03 1.677328349696e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT43824.600S Tue Nov 5 09:17:02 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.904291 0.456595 0.329738 -0.740897 0.312857 -0.743810 0.422876 0.420434 0.315681 -0.890925 0.427245 -0.707444 0.396513 -0.704111 0.366608 0.351682 -0.777093 0.415813 0.344238 -0.773552 0.438390 0.339483 -0.716835 0.367393 0.362789 -0.796485 0.374756 0.422497 -0.930142 0.485790 0.427858 -0.736769 0.340116 0.399802 -0.749381 0.385322 0.357825 -0.758218 0.375359 0.475099 0.381347 0.435847 -0.00000 -19.13291 -19.13139 -19.12981 -19.12725 -19.12351 -19.12262 -19.12040 -19.11794 -19.11784 -19.11633 -19.11607 -19.11492 -19.11479 -19.11150 -1.03024 -1.02621 -1.02168 -1.02049 -1.01501 -1.01187 -1.00991 -1.00935 -1.00443 -1.00026 -0.99934 -0.99450 -0.99246 -0.98530 -0.54964 -0.54705 -0.54251 -0.54091 -0.53665 -0.53360 -0.53329 -0.52912 -0.52733 -0.52396 -0.52252 -0.52010 -0.51893 -0.51705 -0.44253 -0.43355 -0.42956 -0.41975 -0.41400 -0.41012 -0.40378 -0.40249 -0.39713 -0.39191 -0.38492 -0.38305 -0.37627 -0.36700 -0.33170 -0.32998 -0.32707 -0.32670 -0.32473 -0.32339 -0.32233 -0.32134 -0.32067 -0.31825 -0.31739 -0.31594 -0.31388 -0.31231 -0.00011 0.02327 0.03859 0.04228 0.05808 0.06618 0.07165 0.07720 0.08988 0.09506 0.10239 0.10706 0.11289 0.11447 0.12275 0.12844 0.13242 0.13869 0.14042 0.14608 0.14840 0.15428 0.15531 0.15892 0.16735 0.17326 0.17644 0.17945 0.18180 0.18857 0.19249 0.19394 0.19953 0.20428 0.21293 0.21542 0.22113 0.22222 0.22693 0.23141 0.23509 0.23720 0.24300 0.24354 0.24906 0.25412 0.25736 0.25805 0.26430 0.26590 0.26642 0.27273 0.27532 0.27778 0.28167 0.28315 0.28670 0.29032 0.29157 0.29252 0.29414 0.30015 0.30295 0.30554 0.31788 0.32836 0.33386 0.33911 0.35113 0.37120 0.40372 0.41056 0.42081 0.44649 0.45184 0.45861 0.46186 0.46699 0.47447 0.48988 0.49785 0.50503 0.50895 0.52638 0.52807 0.53965 0.54438 0.54965 0.55546 0.56569 0.57202 0.57519 0.58349 0.58609 0.59206 0.59730 0.60492 0.61025 0.61248 0.62513 0.63245 0.63535 0.65264 0.65603 0.66301 0.66665 0.67367 0.68351 0.68796 0.69006 0.71675 0.72759 0.93566 0.94872 0.95846 0.96502 0.97225 0.98022 0.98184 0.98904 1.00036 1.00236 1.01193 1.01826 1.02299 1.02467 1.03535 1.03891 1.04339 1.04727 1.05256 1.05722 1.06136 1.06431 1.07241 1.07766 1.08467 1.08820 1.09511 1.10258 1.10574 1.11338 1.12373 1.12808 1.13234 1.13600 1.14267 1.14822 1.15632 1.16512 1.17430 1.19010 1.20943 1.21570 1.23620 1.25091 1.26438 1.27204 1.28332 1.28883 1.28991 1.30275 1.30584 1.32233 1.32626 1.33421 1.33988 1.34570 1.34932 1.36194 1.36961 1.37409 1.37993 1.38958 1.39733 1.40055 1.41280 1.41378 1.42957 1.43413 1.44378 1.45818 1.46335 1.46631 1.47539 1.47928 1.48972 1.50275 1.50827 1.51445 1.53229 1.53965 1.55953 1.57072 1.58362 1.59500 1.59693 1.60672 1.61194 1.62137 1.62945 1.63933 1.64869 1.66113 1.67421 1.68791 1.69261 1.70603 1.71662 1.73051 1.73845 1.74489 1.75830 1.77410 1.77600 1.78710 1.79755 1.79953 1.80553 1.82315 1.83716 1.83887 1.86921 1.88757 2.02244 2.02580 2.04118 2.04448 2.05182 2.05446 2.18270 2.20053 2.23822 2.25070 2.26234 2.27962 2.28524 2.30814 2.32142 2.32890 2.34549 2.35144 2.36814 2.37989 2.40592 2.41620 2.42068 2.43569 2.44100 2.45258 2.45937 2.49638 2.54905 2.55286 2.57776 2.58831 2.59965 2.61532 2.67079 2.68441 2.69056 2.69788 2.71501 2.72255 2.73263 2.74411 2.74731 2.75773 2.76522 2.77355 2.79274 2.80421 2.82238 2.82854 2.84851 2.85450 2.87099 2.89634 2.90196 2.91306 3.07450 3.07816 3.08345 3.08603 3.08860 3.09123 3.09862 3.10381 3.10453 3.11008 3.11310 3.11822 3.12184 3.12668 3.13401 3.14247 3.14532 3.15147 3.15637 3.16246 3.17038 3.17640 3.18487 3.19151 3.19698 3.20671 3.21219 3.23058 3.28617 3.29945 3.30230 3.31554 3.32139 3.32700 3.33213 3.33788 3.35064 3.36052 3.36816 3.37735 3.39368 3.41430 3.69060 3.69237 3.70455 3.70976 3.71520 3.72211 3.73157 3.74173 3.74911 3.75828 3.76996 3.78313 3.81311 3.84489 3.90033 3.90538 3.91659 3.92247 3.92793 3.93326 3.93781 3.93897 3.94380 3.95117 3.98212 3.98732 4.00883 4.03296 5.00650 5.00705 5.01413 5.01836 5.03456 5.04292 5.04685 5.05270 5.06215 5.07312 5.07818 5.09813 5.11871 5.13073 5.36775 5.38082 5.39394 5.41254 5.42107 5.43984 5.44463 5.45452 5.47152 5.48017 5.49478 5.50940 5.54751 5.56970 5.64878 5.65471 5.65999 5.66520 5.67321 5.68001 5.69875 5.72456 5.73404 5.74095 5.76075 5.77396 5.78425 5.80320 49.87571 49.88019 49.90665 49.91240 49.91923 49.92749 49.92828 49.93556 49.94401 49.95293 49.95934 49.96269 49.97820 49.99896 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.875689 0.443651 0.371806 -0.733294 0.314316 -0.744997 0.410846 0.411267 0.320427 -0.863855 0.408489 -0.718069 0.375616 -0.739933 0.369774 0.367158 -0.771542 0.403972 0.351127 -0.744619 0.408500 0.338807 -0.734885 0.375357 0.374383 -0.803703 0.395022 0.411710 -0.890173 0.482073 0.400237 -0.732706 0.342419 0.398847 -0.741414 0.387644 0.367747 -0.790600 0.371015 0.452158 0.409922 0.421193 -0.00000 -1.29209850e+00 -3.95327314e-01 -1.66629039e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.2842 -1.0048 -0.4235 3.4605 -91.4478 -94.4787 -98.0114 1.2735 -15.2945 10.0352 3.1982 0.1673 -3.3654 1.2735 -15.2945 10.0352 -194.3601 -94.2207 -21.8823 -27.8699 23.0346 -15.6376 88.4210 48.3455 31.5081 19.0417 -3679.8518 -1485.6428 -1174.4118 -77.7926 -71.8758 32.7818 56.2142 -84.9246 12.6802 -865.4512 -822.0288 -461.2788 202.5434 -149.3569 31.2848 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.7440769 4.314E-9 1.272E-5 1.4605332,9.9793045,-11.4398376,5.4141556,-4.3650931,5.2121785 C01 [X(H28O14)] 1.3366778 0.1000483 0.2384331 -0.000046276 0.000034902 0.000008610 0.000003963 0.000015710 -0.000005466 -0.000019278 0.000002596 -0.000005767 0.000004317 -0.000000057 -0.000011078 0.000005115 -0.000002264 -0.000003180 -0.000005158 -0.000006322 -0.000006992 -0.000008188 -0.000000905 0.000015671 0.000002886 -0.000002571 0.000004221 -0.000001864 -0.000002752 0.000006472 -0.000003394 -0.000036848 -0.000002015 0.000000520 0.000022371 0.000001861 0.000001091 0.000006585 0.000012087 -0.000009050 0.000004790 0.000006468 -0.000002034 0.000008037 0.000007993 -0.000003127 -0.000004309 -0.000003828 0.000006304 -0.000002316 0.000006367 0.000011557 -0.000008231 -0.000019453 0.000005446 -0.000003274 0.000007425 -0.000002691 -0.000001816 0.000008515 0.000019571 0.000037898 -0.000012839 0.000003470 -0.000025169 -0.000001635 -0.000013295 -0.000006233 0.000015446 -0.000002155 -0.000027859 -0.000002589 -0.000006079 0.000009471 0.000007440 -0.000018844 0.000012392 -0.000007859 -0.000000852 -0.000000210 0.000007243 0.000001868 0.000000827 0.000001522 0.000000286 -0.000001233 -0.000005543 -0.000021345 -0.000028788 0.000011461 0.000007334 0.000003664 -0.000004173 0.000016501 0.000002869 -0.000004797 0.000021401 -0.000009229 -0.000013216 -0.000004330 -0.000000382 -0.000007163 -0.000003785 -0.000001439 -0.000005961 0.000012091 0.000013777 -0.000033656 0.000012946 -0.000000404 0.000015454 0.000000242 0.000005944 0.000007447 -0.000006500 -0.000021726 0.000002377 0.000023824 -0.000002260 0.000003424 0.000016529 -0.000009443 -0.000015961 -0.000010930 0.000028689 0.000011508 0.000011911 -0.000004482 0.000004159 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6972;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; Gaussian 16 GINC-GARGANTA LAMSABHI Optimization 14H2O CONF94 water EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6973;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; Optimization 14H2O CONF94 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF94/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 1 2 2 3 4 4 4 6 6 6 7 8 10 10 10 11 12 12 13 14 14 15 17 17 17 17 18 20 20 23 23 24 25 26 26 26 29 29 31 32 32 35 35 38 38 36 39 40 42 10 14 12 5 8 28 7 9 30 20 32 11 34 42 29 13 21 35 15 16 20 18 19 27 41 23 21 22 24 25 32 29 27 28 40 30 31 38 33 34 36 37 39 41 1.776 1.8394 0.9862 0.9809 0.984 1.8005 0.9721 0.965 0.9826 1.8067 0.9839 0.9649 1.7808 1.7694 1.7705 0.9838 1.7722 1.8371 1.7828 0.9802 1.7388 1.8242 0.9782 0.9774 1.8689 0.9885 0.9649 1.8366 1.8747 1.7527 0.9897 0.9655 0.9782 0.9789 1.8601 1.8164 0.9791 0.9814 1.7611 0.9827 0.9802 1.848 0.9654 0.9823 0.9815 0.9648 0.9817 0.9781 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 36 36 36 39 39 40 5 5 8 7 7 9 2 2 2 11 11 34 3 3 13 2 2 15 18 18 18 19 19 27 7 7 7 15 15 21 18 18 24 23 27 27 28 11 11 11 25 25 30 8 8 8 24 24 33 13 13 36 1 31 31 39 17 1 1 1 1 1 1 4 4 4 6 6 6 10 10 10 10 10 10 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 25 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 35 35 35 36 38 38 38 41 39 40 42 40 42 42 8 28 28 9 30 30 11 34 42 34 42 42 13 21 21 15 16 16 19 27 41 27 41 41 15 21 22 21 22 22 24 25 25 29 28 40 40 25 30 31 30 31 31 24 33 34 33 34 34 36 37 37 35 39 41 41 38 89.1703 146.7143 105.5417 94.1218 95.1457 107.1215 105.1074 109.1498 99.6652 105.2837 95.734 111.3716 105.5129 147.7687 96.3432 105.4279 98.6106 87.7657 103.8489 111.0712 100.7827 101.4052 98.4622 103.6227 106.1923 103.8524 101.4419 120.5464 127.1095 94.4154 120.1942 103.3682 114.9335 93.7428 114.3142 105.8145 108.7433 97.4001 104.0848 166.3954 105.4009 98.386 101.2422 86.8726 112.1844 98.0254 138.8669 105.0992 107.5941 104.5051 115.9545 118.0436 115.2647 95.7593 105.8846 102.8786 123.9446 106.6362 160.8342 98.4364 94.1145 103.335 160.5224 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 1 10 6 4 10 12 14 17 12 23 17 4 6 29 10 1 1 1 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 42 2 7 8 11 13 15 18 21 24 27 28 30 31 34 39 40 42 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 10 14 20 32 29 35 20 23 20 32 26 26 29 38 32 38 26 10 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 3 3 4 1 3 11 11 1 2 1 2 2 3 4 17 3 23 3 -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 -2 170.7354 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 169.2284 177.9898 177.157 169.9972 174.1227 172.407 173.4679 172.1635 170.6948 173.9984 180.2742 163.2478 165.9097 185.6059 174.9771 166.9996 181.8713 179.6597 172.9324 171.4965 180.7888 190.4255 175.5942 178.601 174.6532 183.802 178.5894 172.8987 178.8369 186.5482 188.0764 174.27 186.0569 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 36 36 36 39 39 39 40 40 40 36 36 39 39 42 42 39 40 42 36 36 40 40 42 42 5 5 8 8 5 5 5 28 28 28 9 9 9 30 30 30 7 7 7 9 9 9 11 11 34 34 42 42 2 2 2 34 34 34 42 42 42 2 2 2 11 11 11 42 42 42 3 3 3 13 13 13 3 3 21 21 2 2 2 16 16 16 19 19 27 27 41 41 18 18 19 19 41 41 18 19 27 18 18 18 25 25 25 18 24 23 23 23 11 11 25 25 30 30 13 37 31 39 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 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 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 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 25 25 25 29 29 29 29 29 29 35 35 38 38 10 10 10 10 10 10 10 10 10 26 26 26 26 26 26 36 36 36 38 38 38 38 38 38 26 26 26 26 32 32 32 32 32 32 20 20 20 20 20 20 29 29 29 29 29 29 14 14 14 14 14 14 29 29 29 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 20 20 20 20 20 20 35 35 35 35 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 41 41 41 32 32 32 32 32 32 25 25 29 29 29 38 38 38 38 38 38 36 36 41 41 2 11 34 2 11 34 2 11 34 27 28 27 28 27 28 35 35 35 31 41 31 41 31 41 27 40 27 40 24 33 34 24 33 34 15 21 22 15 21 22 11 25 31 11 25 31 15 16 15 16 15 16 25 30 31 25 30 31 25 30 31 8 24 33 8 24 33 8 24 33 7 15 22 7 15 22 36 37 36 37 7 21 22 7 21 22 24 25 24 25 24 25 28 40 28 40 28 40 38 38 38 8 33 34 8 33 34 29 29 11 30 31 39 41 39 41 39 41 1 1 17 17 -10.1172 95.8292 -158.3281 -99.2611 6.6853 112.5279 166.2439 -87.8097 18.033 -112.2984 140.4903 -24.8235 -132.0348 70.3649 -36.8464 65.3617 161.615 -29.7487 -100.3302 164.7116 112.6508 17.6926 5.3397 -89.6185 -168.3331 -67.4305 -59.4236 41.479 163.9019 -68.9406 60.5461 50.9754 178.1329 -52.3804 -162.0777 -61.6224 53.9803 -49.7039 50.7513 166.3541 49.8164 156.7847 -55.6434 158.5971 -94.4346 53.1373 11.4259 -93.5681 -160.0026 95.0034 110.6907 5.6967 -177.0286 -34.2864 78.2267 -3.6125 139.1296 -108.3572 84.9935 -132.2643 -19.7511 -80.6598 174.9828 59.3127 114.5218 10.1644 -105.5057 16.4049 -87.9526 156.3773 -29.2901 91.8944 -152.4297 -137.7113 -16.5268 99.1491 -1.2413 119.7532 111.796 -127.2096 23.1085 -82.3067 170.041 122.7939 17.3787 -90.2736 130.8027 -122.7336 0.6552 107.1189 -95.2813 11.1824 27.7573 -74.5744 -92.2117 165.4566 129.8151 27.4833 58.0325 178.6891 -47.075 -31.9087 -162.517 88.1562 -132.4614 96.9303 -12.3965 -39.7826 71.727 -64.1853 174.9972 33.2888 4.1716 107.6192 -82.8266 20.6209 120.4015 -136.151 -56.0113 172.2188 -71.2001 28.484 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00021 0.00024 0.00031 0.00041 0.00050 0.00062 0.00072 0.00103 0.00134 0.00148 0.00180 0.00193 0.00196 0.00204 0.00232 0.00239 0.00276 0.00324 0.00345 0.00365 0.00400 0.00409 0.00428 0.00456 0.00478 0.00494 0.00520 0.00541 0.00549 0.00594 0.00623 0.00655 0.00699 0.00728 0.00765 0.00769 0.00804 0.00839 0.00876 0.00906 0.00923 0.00946 0.00986 0.01024 0.01049 0.01071 0.01085 0.01110 0.01137 0.01161 0.01218 0.01223 0.01257 0.01271 0.01322 0.01332 0.01343 0.01396 0.01431 0.01437 0.01461 0.01484 0.01522 0.01562 0.01579 0.01653 0.01787 0.01802 0.01862 0.01903 0.01939 0.01999 0.02059 0.02267 0.02475 0.02981 0.03456 0.03744 0.03796 0.04242 0.04368 0.04408 0.04507 0.04548 0.04938 0.05143 0.05932 0.06190 0.06255 0.06344 0.08135 0.10669 0.32697 0.33778 0.34764 0.39399 0.39879 0.41676 0.42356 0.43221 0.43556 0.43789 0.44411 0.45062 0.45111 0.45447 0.45472 0.45657 0.46486 0.46864 0.46909 0.47286 0.47587 0.48734 0.52559 0.52640 0.52708 0.52720 0.52780 0.52866 Angle between quadratic step and forces= 75.78 degrees. 1 2 3 0.00366365 0.00001160 0.00000000 0.00001219 0.00000508 0.00000508 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 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 3.35614 3.47589 1.86371 1.85361 1.85956 3.40242 1.83697 1.82356 1.85678 3.41413 1.85928 1.82349 3.36519 3.34369 3.34584 1.85918 3.34888 3.47156 3.36893 1.85230 3.28587 3.44718 1.84856 1.84707 3.53179 1.86808 1.82335 3.47064 3.54275 3.31221 1.87024 1.82448 1.84858 1.84986 3.51503 3.43247 1.85017 1.85461 3.32803 1.85702 1.85223 3.49230 1.82430 1.85623 1.85486 1.82318 1.85522 1.84827 1.55632 2.56065 1.84205 1.64274 1.66061 1.86962 1.83447 1.90502 1.73949 1.83755 1.67087 1.94380 1.84155 2.57905 1.68151 1.84006 1.72108 1.53180 1.81251 1.93856 1.75899 1.76985 1.71849 1.80856 1.85341 1.81257 1.77050 2.10393 2.21848 1.64786 2.09779 1.80412 2.00597 1.63612 1.99516 1.84681 1.89793 1.69995 1.81662 2.90415 1.83959 1.71716 1.76701 1.51621 1.95799 1.71087 2.42368 1.83433 1.87787 1.82396 2.02379 2.06025 2.01175 1.67132 1.84803 1.79557 2.16324 1.86115 2.80709 1.71804 1.64261 1.80354 2.80165 2.97989 2.95359 3.10651 3.09197 2.96701 3.03901 3.00907 3.02759 3.00482 2.97919 3.03685 3.14638 2.84921 2.89567 3.23943 3.05393 2.91469 3.17425 3.13565 3.01824 2.99318 3.15536 3.32355 3.06470 3.11717 3.04827 3.20795 3.11697 3.01765 3.12129 3.25588 3.28255 3.04159 3.24731 -0.17658 1.67254 -2.76335 -1.73243 0.11668 1.96398 2.90150 -1.53257 0.31473 -1.95998 2.45202 -0.43325 -2.30444 1.22810 -0.64309 1.14078 2.82071 -0.51921 -1.75109 2.87476 1.96613 0.30879 0.09320 -1.56414 -2.93797 -1.17688 -1.03714 0.72395 2.86063 -1.20324 1.05673 0.88969 3.10900 -0.91421 -2.82879 -1.07551 0.94213 -0.86750 0.88578 2.90343 0.86946 2.73641 -0.97116 2.76804 -1.64819 0.92742 0.19942 -1.63307 -2.79257 1.65812 1.93192 0.09943 -3.08973 -0.59841 1.36531 -0.06305 2.42827 -1.89119 1.48342 -2.30845 -0.34472 -1.40778 3.05403 1.03520 1.99878 0.17740 -1.84142 0.28632 -1.53506 2.72930 -0.51121 1.60386 -2.66040 -2.40352 -0.28845 1.73048 -0.02166 2.09009 1.95121 -2.22023 0.40332 -1.43652 2.96778 2.14316 0.30332 -1.57557 2.28294 -2.14210 0.01143 1.86958 -1.66297 0.19517 0.48446 -1.30157 -1.60940 2.88776 2.26570 0.47967 1.01286 3.11871 -0.82161 -0.55691 -2.83646 1.53862 -2.31189 1.69175 -0.21636 -0.69434 1.25187 -1.12025 3.05428 0.58100 0.07281 1.87831 -1.44560 0.35990 2.10140 -2.37628 -0.97758 3.00578 -1.24268 0.49714 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00003 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00001 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 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 -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 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00063 -0.00532 -0.00003 -0.00001 0.00002 -0.00015 0.00013 -0.00000 0.00001 -0.00008 0.00001 -0.00001 -0.00029 -0.00065 -0.00049 0.00013 0.00085 0.00058 -0.00085 -0.00008 0.00019 0.00105 -0.00004 -0.00002 0.00060 -0.00000 0.00001 0.00042 0.00164 0.00042 -0.00005 -0.00004 -0.00002 -0.00007 0.00030 0.00128 -0.00001 -0.00001 0.00010 0.00003 0.00024 -0.00399 -0.00000 -0.00010 -0.00000 -0.00002 0.00029 -0.00007 0.00304 -0.00296 0.00104 0.00412 0.00168 0.00031 -0.00001 0.00038 -0.00061 0.00014 0.00106 0.00018 -0.00024 0.00287 -0.00103 -0.00152 -0.00130 -0.00204 -0.00003 -0.00071 -0.00038 0.00140 0.00109 -0.00004 -0.00029 -0.00190 -0.00139 -0.00061 -0.00010 0.00367 -0.00549 0.00491 0.00059 0.00053 0.00104 0.00030 0.00044 0.00020 -0.00017 -0.00122 0.00018 -0.00127 0.00098 0.00181 -0.00204 -0.00060 0.00260 -0.00195 -0.00047 -0.00131 -0.00023 0.00149 -0.00118 0.00139 0.00004 -0.00092 0.00201 0.00001 0.00044 -0.00093 0.00227 0.00008 -0.00440 0.00103 0.00062 -0.00035 -0.00057 -0.00065 0.00112 0.00113 -0.00006 0.00032 -0.00042 -0.00009 -0.00132 0.00209 0.00030 -0.00030 -0.00089 -0.00193 -0.00079 0.00258 -0.00004 0.00124 -0.00039 0.00075 0.00080 0.00042 -0.00022 0.00065 -0.00025 0.00047 0.00009 0.00101 -0.00201 -0.00182 -0.00045 0.00569 0.00513 0.00325 0.00255 0.00200 0.00012 -0.00229 -0.00285 -0.00473 -0.00829 -0.00822 0.00209 0.00216 0.00469 0.00476 -0.00864 0.00310 -0.01124 -0.00316 -0.00550 -0.00112 -0.00346 -0.00187 -0.00421 -0.00129 -0.00229 -0.00147 -0.00247 0.00149 -0.00130 0.00015 0.00137 -0.00142 0.00003 -0.00502 -0.00294 0.00167 -0.00396 -0.00188 0.00274 0.00546 0.00860 0.00760 0.00609 0.00922 0.00823 -0.00190 -0.00240 -0.00867 -0.00917 -0.00334 -0.00383 -0.00450 -0.00117 -0.00275 -0.00050 0.00283 0.00125 -0.00292 0.00041 -0.00117 0.00697 0.00770 0.00859 -0.00006 0.00067 0.00156 0.00152 0.00226 0.00314 0.00394 -0.00096 0.00047 0.00435 -0.00055 0.00088 -0.00086 -0.00055 -0.00183 -0.00152 0.00380 -0.00144 -0.00215 0.00516 -0.00008 -0.00080 0.00008 0.00023 0.00258 0.00274 -0.00088 -0.00073 0.00008 -0.00047 0.00234 0.00178 -0.00066 -0.00122 0.00035 -0.00151 0.00164 -0.00345 -0.00108 -0.00161 -0.00374 -0.00138 -0.00191 -0.00747 -0.00698 0.00771 0.00710 0.00760 0.00264 0.00294 0.00079 0.00109 -0.00004 0.00026 0.00530 0.00345 0.00041 0.00003 0.00063 -0.00533 -0.00003 -0.00001 0.00002 -0.00015 0.00013 -0.00000 0.00001 -0.00008 0.00002 -0.00001 -0.00029 -0.00065 -0.00049 0.00013 0.00085 0.00058 -0.00085 -0.00007 0.00019 0.00105 -0.00004 -0.00002 0.00060 -0.00000 0.00001 0.00042 0.00165 0.00042 -0.00005 -0.00004 -0.00002 -0.00008 0.00030 0.00128 -0.00000 -0.00001 0.00010 0.00003 0.00023 -0.00399 -0.00000 -0.00011 -0.00000 -0.00002 0.00029 -0.00006 0.00305 -0.00299 0.00102 0.00413 0.00168 0.00029 -0.00001 0.00038 -0.00061 0.00014 0.00106 0.00017 -0.00025 0.00286 -0.00102 -0.00153 -0.00130 -0.00203 -0.00003 -0.00072 -0.00038 0.00139 0.00109 -0.00005 -0.00029 -0.00190 -0.00138 -0.00061 -0.00010 0.00367 -0.00550 0.00492 0.00058 0.00054 0.00104 0.00030 0.00044 0.00020 -0.00016 -0.00122 0.00018 -0.00127 0.00098 0.00181 -0.00205 -0.00060 0.00260 -0.00195 -0.00047 -0.00131 -0.00023 0.00149 -0.00118 0.00138 0.00004 -0.00092 0.00201 0.00001 0.00043 -0.00094 0.00227 0.00009 -0.00440 0.00103 0.00063 -0.00035 -0.00057 -0.00065 0.00112 0.00113 -0.00008 0.00032 -0.00041 -0.00009 -0.00133 0.00209 0.00030 -0.00031 -0.00089 -0.00193 -0.00078 0.00258 -0.00003 0.00124 -0.00039 0.00076 0.00080 0.00042 -0.00022 0.00066 -0.00024 0.00047 0.00009 0.00101 -0.00201 -0.00182 -0.00045 0.00570 0.00514 0.00327 0.00255 0.00200 0.00012 -0.00230 -0.00286 -0.00474 -0.00828 -0.00820 0.00208 0.00216 0.00469 0.00476 -0.00863 0.00308 -0.01123 -0.00315 -0.00550 -0.00113 -0.00347 -0.00187 -0.00421 -0.00128 -0.00229 -0.00146 -0.00247 0.00149 -0.00130 0.00015 0.00137 -0.00142 0.00003 -0.00502 -0.00296 0.00167 -0.00395 -0.00189 0.00274 0.00546 0.00860 0.00760 0.00608 0.00923 0.00822 -0.00190 -0.00240 -0.00867 -0.00917 -0.00334 -0.00384 -0.00449 -0.00116 -0.00274 -0.00051 0.00282 0.00124 -0.00292 0.00041 -0.00117 0.00698 0.00771 0.00860 -0.00006 0.00067 0.00156 0.00153 0.00226 0.00314 0.00394 -0.00096 0.00046 0.00436 -0.00054 0.00088 -0.00086 -0.00056 -0.00183 -0.00152 0.00380 -0.00144 -0.00215 0.00516 -0.00008 -0.00080 0.00008 0.00024 0.00258 0.00274 -0.00088 -0.00072 0.00008 -0.00047 0.00234 0.00178 -0.00066 -0.00122 0.00034 -0.00151 0.00164 -0.00345 -0.00109 -0.00162 -0.00374 -0.00138 -0.00191 -0.00747 -0.00698 0.00771 0.00709 0.00760 0.00264 0.00294 0.00078 0.00109 -0.00005 0.00025 0.00529 0.00344 0.00041 0.00002 3.35677 3.47057 1.86368 1.85360 1.85958 3.40227 1.83710 1.82356 1.85680 3.41405 1.85930 1.82348 3.36490 3.34303 3.34534 1.85931 3.34973 3.47214 3.36808 1.85223 3.28606 3.44823 1.84851 1.84705 3.53239 1.86808 1.82336 3.47106 3.54440 3.31263 1.87018 1.82444 1.84856 1.84978 3.51533 3.43375 1.85017 1.85460 3.32814 1.85705 1.85246 3.48830 1.82430 1.85612 1.85486 1.82316 1.85551 1.84821 1.55937 2.55766 1.84307 1.64687 1.66228 1.86991 1.83446 1.90540 1.73888 1.83769 1.67194 1.94397 1.84130 2.58191 1.68049 1.83854 1.71978 1.52977 1.81247 1.93784 1.75861 1.77125 1.71958 1.80851 1.85312 1.81067 1.76911 2.10332 2.21838 1.65153 2.09229 1.80904 2.00654 1.63666 1.99619 1.84711 1.89837 1.70015 1.81646 2.90293 1.83977 1.71589 1.76799 1.51802 1.95594 1.71026 2.42629 1.83238 1.87740 1.82265 2.02355 2.06174 2.01057 1.67270 1.84807 1.79465 2.16525 1.86117 2.80752 1.71710 1.64488 1.80362 2.79725 2.98093 2.95422 3.10616 3.09140 2.96636 3.04014 3.01020 3.02751 3.00514 2.97877 3.03675 3.14505 2.85130 2.89597 3.23913 3.05304 2.91276 3.17347 3.13824 3.01821 2.99442 3.15496 3.32431 3.06550 3.11760 3.04805 3.20861 3.11673 3.01812 3.12138 3.25690 3.28054 3.03976 3.24686 -0.17088 1.67768 -2.76008 -1.72988 0.11868 1.96410 2.89920 -1.53543 0.31000 -1.96825 2.44381 -0.43117 -2.30229 1.23279 -0.63833 1.13215 2.82379 -0.53045 -1.75425 2.86926 1.96500 0.30533 0.09133 -1.56835 -2.93925 -1.17917 -1.03860 0.72148 2.86211 -1.20454 1.05688 0.89106 3.10759 -0.91418 -2.83381 -1.07847 0.94380 -0.87145 0.88389 2.90616 0.87492 2.74501 -0.96356 2.77413 -1.63897 0.93565 0.19752 -1.63547 -2.80124 1.64896 1.92857 0.09559 -3.09422 -0.59957 1.36258 -0.06356 2.43109 -1.88995 1.48050 -2.30804 -0.34589 -1.40080 3.06173 1.04380 1.99873 0.17808 -1.83986 0.28784 -1.53281 2.73244 -0.50727 1.60290 -2.65994 -2.39916 -0.28899 1.73136 -0.02253 2.08953 1.94938 -2.22175 0.40712 -1.43796 2.96562 2.14831 0.30323 -1.57637 2.28302 -2.14187 0.01402 1.87232 -1.66385 0.19445 0.48454 -1.30204 -1.60706 2.88955 2.26504 0.47846 1.01320 3.11720 -0.81997 -0.56036 -2.83754 1.53700 -2.31563 1.69038 -0.21827 -0.70181 1.24489 -1.11254 3.06137 0.58860 0.07545 1.88125 -1.44481 0.36099 2.10135 -2.37603 -0.97229 3.00923 -1.24227 0.49716 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000005 0.013748 0.003662 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.124967e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1284.3749728010 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0454425614 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.010514 0.000000 3.603816 4.091853 0.000000 4.189407 5.488270 7.380586 0.000000 4.327147 5.598908 7.742615 0.964985 0.000000 6.160090 4.453050 4.119146 8.680092 9.167093 0.000000 5.813974 4.048821 3.646813 8.704885 9.108403 0.983889 0.000000 3.910013 4.726530 6.937390 0.982567 1.546244 7.878014 7.924367 0.000000 6.702642 5.285890 4.229044 9.320112 9.850724 0.964950 1.549092 8.559663 0.000000 2.798064 0.984036 4.246454 4.717856 4.944643 4.531109 4.323424 3.909566 5.345259 0.000000 3.066278 1.566563 3.727487 5.134991 5.511954 3.712808 3.618244 4.331332 4.480417 0.983836 0.000000 4.013969 4.173382 0.972082 7.987817 8.262343 4.262393 3.596863 7.524464 4.390051 4.540266 4.131863 0.000000 3.426574 3.795812 1.536837 7.547952 7.723114 4.872704 4.159847 7.125773 5.142582 4.243274 4.042979 0.980194 0.000000 3.883569 1.800485 4.127396 7.027398 7.007822 4.753073 4.026114 6.352753 5.510310 2.775875 3.129691 3.782702 3.287159 0.000000 4.309676 2.212513 3.709370 7.598354 7.677971 3.959522 3.154370 6.892282 4.669676 3.098645 3.152903 3.295922 3.027840 0.978214 0.000000 3.339238 2.171419 3.684557 6.873278 6.827944 5.190564 4.435400 6.306312 5.852929 3.036965 3.386749 3.302862 2.616998 0.977429 1.537095 0.000000 3.894843 5.551268 4.760576 4.492062 5.289143 6.423409 6.628532 4.353620 6.644031 4.805703 4.359686 5.690439 5.759998 6.911106 6.938419 6.637663 0.000000 4.002336 5.145361 4.935465 4.249076 5.095654 5.959352 6.248365 3.932953 6.258815 4.312585 3.828112 5.840314 5.929691 6.648487 6.669046 6.511261 0.988546 0.000000 4.828921 6.486839 5.470421 5.047798 5.893604 7.013003 7.298390 4.997534 7.143140 5.724304 5.236526 6.425150 6.565787 7.848704 7.837764 7.578397 0.964876 1.562107 0.000000 5.263032 3.571158 3.195535 8.697097 8.938669 2.742116 1.769403 7.983951 3.196655 4.186574 3.787107 2.724214 3.033134 2.833350 1.868944 3.109554 7.053435 6.819537 7.838235 0.000000 4.728279 3.638860 2.276794 8.408175 8.667149 3.099414 2.218113 7.774220 3.405646 4.182189 3.749387 1.738809 2.149875 2.998276 2.171155 2.966178 6.494727 6.385265 7.268568 0.989686 0.000000 6.071182 4.403580 3.811494 9.612577 9.820082 3.316708 2.345901 8.908535 3.618637 5.090017 4.739708 3.170201 3.493382 3.377996 2.431251 3.628366 7.948471 7.749352 8.717102 0.965471 1.559620 0.000000 4.527294 4.599508 5.449954 4.362099 5.183457 5.276305 5.695355 3.716677 5.736420 3.678446 3.161760 6.244298 6.354046 6.270649 6.273566 6.392904 2.733933 1.752747 3.212273 6.491699 6.309104 7.445275 0.000000 4.206831 4.168910 5.707401 3.623108 4.387665 5.626939 5.945665 2.871309 6.210436 3.194435 2.924384 6.427565 6.399064 5.929275 6.070522 6.078497 3.174620 2.265157 3.771874 6.565267 6.432694 7.528530 0.978225 0.000000 4.278673 4.011864 4.700373 4.947979 5.684766 4.311291 4.719662 4.238496 4.785608 3.182865 2.474708 5.456959 5.636524 5.581275 5.478824 5.741030 2.978859 2.114792 3.566937 5.562744 5.405662 6.508471 0.978902 1.543128 0.000000 2.741856 5.277679 5.507394 2.784417 3.223012 7.904587 7.828514 3.078009 8.342905 4.653357 4.779100 6.197602 5.808838 6.523476 6.922508 6.067051 2.805842 3.176953 3.438891 7.682949 7.112375 8.551414 4.282966 4.020097 4.594576 0.000000 3.002159 5.308950 5.186939 3.194538 3.833007 7.392498 7.410577 3.326674 7.765525 4.610255 4.537936 5.979468 5.742106 6.634672 6.908582 6.237417 1.836586 2.284651 2.470891 7.457654 6.881103 8.347639 3.608153 3.538964 3.938514 0.979070 0.000000 3.106985 5.251486 6.134561 1.806679 2.310650 8.127457 8.092940 2.196725 8.643706 4.547073 4.782593 6.802282 6.390476 6.639495 7.108987 6.288221 3.230764 3.344178 3.841426 8.004105 7.534029 8.900323 4.123227 3.679286 4.563786 0.981419 1.559527 0.000000 3.988673 3.208222 3.277241 6.066884 6.641946 2.758833 2.997916 5.341080 3.268882 2.760286 1.782763 3.906850 4.220326 4.369776 4.033562 4.543396 3.820008 3.299039 4.521718 3.805589 3.645190 4.735233 2.777384 3.118204 1.816387 5.249218 4.697132 5.435106 0.000000 4.719796 3.523149 3.344384 7.007322 7.552111 1.780781 2.118802 6.250244 2.314023 3.295670 2.338147 3.822521 4.283962 4.378728 3.846850 4.655629 4.700201 4.209257 5.343095 3.244043 3.227360 4.111600 3.615702 3.983422 2.636994 6.189754 5.645283 6.398985 0.982693 0.000000 3.490826 3.391775 2.465290 6.039674 6.600835 3.217248 3.278680 5.429943 3.562947 3.023191 2.151016 3.226893 3.556620 4.388650 4.067664 4.351427 3.365907 3.090593 4.098971 3.793976 3.382200 4.699665 3.118279 3.493607 2.277610 4.782331 4.222740 5.132743 0.980158 1.583884 0.000000 3.950661 3.637136 6.327511 2.748080 3.201131 6.448029 6.562653 1.770540 7.197960 2.731279 3.064188 6.870444 6.595884 5.403744 5.819032 5.593429 4.447065 3.744464 5.171259 6.811523 6.768931 7.744023 2.829755 1.860072 3.129022 4.070839 4.032767 3.452819 4.144551 4.946859 4.504495 0.000000 4.816969 4.047525 7.088718 3.309499 3.657537 6.755642 6.913002 2.358579 7.552715 3.221568 3.591475 7.583839 7.320579 5.772799 6.196132 6.091384 5.313392 4.542886 5.985818 7.229798 7.305307 8.138287 3.379699 2.434053 3.678914 4.992169 4.968175 4.309334 4.697526 5.398821 5.195856 0.965380 0.000000 3.379929 2.656900 5.618351 3.329466 3.647931 5.778631 5.789836 2.394781 6.568743 1.772151 2.244123 6.077881 5.775738 4.423425 4.845606 4.641302 4.541187 3.896322 5.369185 5.908140 5.889715 6.826927 3.037564 2.188933 3.027836 4.159390 4.151170 3.708051 3.606449 4.348696 3.958365 0.982273 1.554316 0.000000 2.722277 3.420304 3.119271 6.780880 6.742079 6.080088 5.360668 6.439120 6.550323 3.958656 4.188258 2.794594 1.824169 2.825732 3.131659 1.864235 6.128814 6.284138 7.022320 4.071779 3.470986 4.543195 6.669046 6.454226 6.109882 5.321518 5.559685 5.782965 5.020061 5.295309 4.473352 6.156878 6.858190 5.328700 0.000000 1.775992 3.191796 3.155067 5.850143 5.837525 6.170576 5.572085 5.556235 6.668599 3.512198 3.782879 3.132468 2.255924 3.136442 3.537210 2.272487 5.335426 5.508787 6.240759 4.528850 3.919933 5.143893 5.978143 5.726678 5.520595 4.349674 4.626813 4.805649 4.675074 5.122380 4.105158 5.418755 6.180476 4.664628 0.981550 0.000000 3.298272 4.269922 3.856262 7.228927 7.097735 6.999279 6.248677 6.985696 7.438761 4.815634 5.114118 3.466833 2.494766 3.543870 3.913781 2.568690 6.780293 7.018843 7.649081 4.863647 4.255601 5.218355 7.509603 7.267576 6.999122 5.705275 6.051648 6.196860 5.964923 6.249583 5.381137 6.876954 7.582038 6.082993 0.964785 1.560924 0.000000 2.813422 4.187522 1.962532 5.882820 6.389147 4.809616 4.669441 5.540158 4.991090 3.897341 3.355118 2.889144 3.042373 4.949207 4.789284 4.535493 2.815781 3.109372 3.552141 4.671851 3.929613 5.469001 4.008392 4.326976 3.496940 3.857373 3.358448 4.514852 2.800761 3.380310 1.848045 5.183132 6.051677 4.710220 3.875232 3.375187 4.597832 0.000000 1.839362 3.606050 2.233029 5.251174 5.654132 5.174045 4.929414 4.926110 5.504696 3.344858 3.031033 2.978592 2.812303 4.397827 4.418189 3.909503 3.014310 3.264800 3.879153 4.681745 3.976026 5.499545 4.074861 4.168656 3.635986 3.285492 3.005568 3.909089 3.040904 3.709297 2.216177 4.683493 5.575318 4.156592 3.186834 2.538267 3.898695 0.981742 0.000000 0.986231 3.759687 4.240006 3.477580 3.692860 6.767274 6.527617 3.365663 7.278050 3.340422 3.571513 4.778577 4.265633 4.819094 5.247768 4.314271 3.359984 3.554228 4.246331 6.138006 5.588000 6.973822 4.296039 3.965151 4.253330 1.761120 2.136132 2.176845 4.348423 5.190587 3.851379 3.772737 4.697059 3.437898 3.629269 2.656158 4.100313 3.025046 2.148647 0.000000 3.123964 4.687555 2.914776 5.461050 6.074911 5.276915 5.292435 5.182161 5.440064 4.208202 3.653523 3.858080 4.009746 5.690103 5.582780 5.325085 1.874743 2.286299 2.574568 5.503352 4.822557 6.335396 3.478276 3.891500 3.156416 3.410211 2.723574 4.058696 2.979822 3.700565 2.152034 4.956751 5.846922 4.662649 4.693707 4.069314 5.384664 0.978062 1.537320 3.032751 0.000000 0.980888 2.177751 3.743201 4.015903 4.194044 5.591148 5.294696 3.520847 6.229715 1.837069 2.209966 4.142274 3.639895 3.385923 3.825423 3.073183 3.982910 3.845239 4.945820 4.874363 4.498930 5.738800 3.985461 3.570021 3.683679 3.164222 3.308565 3.290282 3.416491 4.149122 3.139140 3.195909 4.006781 2.502299 3.043849 2.247180 3.765829 3.026730 2.160793 1.582525 3.317861 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7406,-1.7971,.2774;-.8725,-.5482,-1.9366;-2.1227,-.3936,1.9566;4.5535,-.8248,-1.1604;4.6094,-1.6514,-1.6552;-3.2706,2.8394,-.3232;-3.6641,1.9397,-.3841;3.8358,-.3139,-1.5955;-3.6755,3.242,.4547;-.0607,-.0289,-1.7377;-.3515,.6944,-1.1375;-2.9082,-.9003,1.6896;-2.5371,-1.7059,1.2723;-2.3883,-1.5174,-2.006;-3.0315,-.8996,-1.604;-2.1905,-2.1458,-1.284;2.3729,1.1474,2.2358;2.3136,1.7015,1.4193;2.8563,1.674,2.8838;-4.0564,.2191,-.5126;-3.6954,-.1612,.3268;-5.0001,.0155,-.5093;1.9918,2.5386,-.0866;2.2647,1.9643,-.83;1.0164,2.4586,-.0694;3.2593,-1.3268,1.2533;3.054,-.449,1.6352;3.7736,-1.1426,.438;-.7075,1.9157,.1114;-1.6134,2.2858,.021;-.7073,1.3198,.8896;2.5268,.7206,-2.1881;2.6492,1.0933,-3.0701;1.6122,.3628,-2.1719;-1.7007,-3.0016,.2981;-.754,-2.752,.3693;-1.7536,-3.944,.4974;-.2243,.0626,2.1551;.0568,-.6542,1.5461;1.6724,-1.6929,.583;.616,.5094,2.3807;.6126,-1.1804,-.4746; 0.4248083 0.2320897 0.2141409 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.77D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 484 483 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74407693497 -1070.74407693 1 1.067085492366e+03 -5.099501144433e+03 1.677328353513e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12846 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340191. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.17D+01 1.23D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 1.81D+00 1.35D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 1.86D-02 1.61D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 5.18D-05 5.13D-04. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 9.31D-08 1.74D-05. 68 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 1.03D-10 5.76D-07. 6 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 7.88D-14 2.97D-08. 1 vectors produced by pass 7 Test12= 2.84D-14 1.00D-09 XBig12= 9.63D-17 1.46D-09. InvSVY: IOpt=1 It= 1 EMax= 1.15D-14 Solved reduced A of dimension 705 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 157.15 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 161.304 -2.328 156.385 1.201 1.075 153.748 148.913 -1.600 145.534 1.028 1.669 142.473 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT14371.700S Tue Nov 5 09:47:24 2024 -19.13291 -19.13139 -19.12981 -19.12725 -19.12351 -19.12262 -19.12040 -19.11794 -19.11784 -19.11633 -19.11607 -19.11492 -19.11479 -19.11150 -1.03024 -1.02621 -1.02168 -1.02049 -1.01501 -1.01187 -1.00991 -1.00935 -1.00443 -1.00026 -0.99934 -0.99450 -0.99246 -0.98530 -0.54964 -0.54705 -0.54251 -0.54091 -0.53665 -0.53360 -0.53329 -0.52912 -0.52733 -0.52396 -0.52252 -0.52010 -0.51893 -0.51705 -0.44253 -0.43355 -0.42956 -0.41975 -0.41400 -0.41012 -0.40378 -0.40249 -0.39713 -0.39191 -0.38492 -0.38305 -0.37627 -0.36700 -0.33170 -0.32998 -0.32707 -0.32670 -0.32473 -0.32339 -0.32233 -0.32134 -0.32067 -0.31825 -0.31739 -0.31594 -0.31388 -0.31231 -0.00011 0.02327 0.03859 0.04228 0.05808 0.06618 0.07165 0.07720 0.08988 0.09506 0.10239 0.10706 0.11289 0.11447 0.12275 0.12844 0.13242 0.13869 0.14042 0.14608 0.14840 0.15428 0.15531 0.15892 0.16735 0.17326 0.17644 0.17945 0.18180 0.18857 0.19249 0.19394 0.19953 0.20428 0.21293 0.21542 0.22113 0.22222 0.22693 0.23141 0.23509 0.23720 0.24300 0.24354 0.24906 0.25412 0.25736 0.25805 0.26430 0.26590 0.26642 0.27273 0.27532 0.27778 0.28167 0.28315 0.28670 0.29032 0.29157 0.29252 0.29414 0.30015 0.30295 0.30554 0.31788 0.32836 0.33386 0.33911 0.35113 0.37120 0.40372 0.41056 0.42081 0.44649 0.45184 0.45861 0.46186 0.46699 0.47447 0.48988 0.49785 0.50503 0.50895 0.52638 0.52807 0.53965 0.54438 0.54965 0.55546 0.56569 0.57202 0.57519 0.58349 0.58609 0.59206 0.59730 0.60492 0.61025 0.61248 0.62513 0.63245 0.63535 0.65264 0.65603 0.66301 0.66665 0.67367 0.68351 0.68796 0.69006 0.71675 0.72759 0.93566 0.94872 0.95846 0.96502 0.97225 0.98022 0.98184 0.98904 1.00036 1.00236 1.01193 1.01826 1.02299 1.02467 1.03535 1.03891 1.04339 1.04727 1.05256 1.05722 1.06136 1.06431 1.07241 1.07766 1.08467 1.08819 1.09511 1.10258 1.10574 1.11338 1.12373 1.12808 1.13234 1.13600 1.14267 1.14822 1.15632 1.16512 1.17430 1.19010 1.20943 1.21570 1.23620 1.25091 1.26438 1.27204 1.28332 1.28883 1.28991 1.30275 1.30584 1.32233 1.32626 1.33421 1.33988 1.34570 1.34932 1.36194 1.36961 1.37409 1.37993 1.38958 1.39733 1.40055 1.41280 1.41378 1.42957 1.43413 1.44378 1.45818 1.46335 1.46631 1.47539 1.47928 1.48972 1.50275 1.50827 1.51445 1.53229 1.53965 1.55953 1.57072 1.58362 1.59500 1.59693 1.60672 1.61194 1.62137 1.62945 1.63933 1.64869 1.66113 1.67421 1.68791 1.69261 1.70603 1.71662 1.73051 1.73845 1.74489 1.75830 1.77410 1.77600 1.78710 1.79755 1.79953 1.80553 1.82315 1.83716 1.83887 1.86921 1.88757 2.02244 2.02580 2.04118 2.04448 2.05182 2.05446 2.18270 2.20053 2.23822 2.25070 2.26234 2.27962 2.28524 2.30814 2.32142 2.32890 2.34549 2.35144 2.36814 2.37989 2.40592 2.41620 2.42068 2.43569 2.44100 2.45258 2.45937 2.49638 2.54905 2.55286 2.57776 2.58831 2.59965 2.61532 2.67079 2.68441 2.69056 2.69788 2.71501 2.72255 2.73263 2.74411 2.74731 2.75773 2.76522 2.77355 2.79274 2.80421 2.82238 2.82854 2.84851 2.85450 2.87099 2.89634 2.90196 2.91306 3.07450 3.07816 3.08345 3.08603 3.08860 3.09123 3.09862 3.10381 3.10453 3.11008 3.11310 3.11822 3.12184 3.12668 3.13401 3.14247 3.14532 3.15147 3.15637 3.16246 3.17038 3.17640 3.18487 3.19151 3.19698 3.20671 3.21219 3.23058 3.28617 3.29945 3.30230 3.31554 3.32139 3.32700 3.33213 3.33788 3.35064 3.36052 3.36816 3.37735 3.39368 3.41430 3.69060 3.69237 3.70455 3.70976 3.71520 3.72211 3.73157 3.74173 3.74911 3.75828 3.76996 3.78313 3.81311 3.84489 3.90033 3.90538 3.91659 3.92247 3.92793 3.93326 3.93781 3.93897 3.94380 3.95117 3.98212 3.98732 4.00883 4.03296 5.00650 5.00705 5.01413 5.01836 5.03456 5.04292 5.04685 5.05270 5.06215 5.07312 5.07818 5.09813 5.11871 5.13073 5.36775 5.38082 5.39394 5.41254 5.42107 5.43984 5.44463 5.45452 5.47152 5.48017 5.49477 5.50940 5.54751 5.56970 5.64878 5.65471 5.65999 5.66520 5.67321 5.68001 5.69875 5.72456 5.73404 5.74095 5.76075 5.77396 5.78425 5.80320 49.87571 49.88019 49.90665 49.91240 49.91923 49.92749 49.92828 49.93556 49.94401 49.95293 49.95934 49.96269 49.97820 49.99896 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.875689 0.443651 0.371806 -0.733294 0.314316 -0.744997 0.410845 0.411267 0.320427 -0.863855 0.408489 -0.718069 0.375616 -0.739933 0.369774 0.367158 -0.771542 0.403972 0.351127 -0.744619 0.408500 0.338807 -0.734885 0.375357 0.374383 -0.803703 0.395022 0.411710 -0.890173 0.482073 0.400237 -0.732706 0.342419 0.398847 -0.741414 0.387644 0.367747 -0.790600 0.371015 0.452158 0.409922 0.421193 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O -0.002338 -0.007712 -0.013724 -0.011716 0.029352 -0.003001 -0.016443 0.002688 0.014855 0.003029 -0.007863 0.008560 0.013976 -0.009663 0.00000 -1.29209836e+00 -3.95327144e-01 -1.66629101e-01 1.61304339e+02 -2.32766371e+00 1.56384958e+02 1.20057059e+00 1.07516752e+00 1.53748108e+02 -9.7723 -6.5914 -0.0012 0.0006 0.0007 8.1108 23.1666 30.8806 33.3897 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.1723 30.8690 33.3110 44.5467 47.1775 48.4184 55.9806 60.5232 61.6072 66.3211 70.2058 76.6140 83.0451 93.7947 113.3204 142.9870 152.3720 155.8783 163.1047 172.9212 175.4262 184.0139 192.4098 199.4697 202.5154 206.2583 210.5952 211.6596 222.3749 226.4180 233.9779 238.1133 246.2649 255.9435 269.6501 273.0420 273.2665 283.7109 285.6169 289.8595 298.7365 306.1711 385.8749 393.3461 396.1497 397.9166 423.9984 435.4100 470.5466 494.6689 519.8306 533.2174 544.0239 553.6074 556.1214 586.0826 591.4237 597.6027 633.3269 642.5049 651.4098 654.5085 665.2955 683.8600 692.1780 700.2522 705.8407 720.6989 735.8429 744.1147 775.0514 803.5463 815.1928 821.8555 850.0526 868.3689 890.9970 900.2500 1593.8610 1594.9844 1597.3292 1604.1828 1607.6609 1617.9069 1619.7067 1622.6263 1639.7391 1642.3653 1644.1851 1650.9453 1654.9112 1666.8536 3282.2433 3303.8432 3327.1473 3364.0616 3384.5650 3413.3912 3419.8234 3442.0817 3447.0758 3454.3079 3468.1408 3483.7082 3499.7713 3504.6949 3516.7195 3521.1956 3535.3467 3546.4301 3557.9667 3560.5320 3575.2960 3682.3980 3824.9769 3828.7158 3831.0388 3831.3128 3833.3358 3837.0554 6.1725 5.7980 5.7374 6.5847 6.3996 6.3294 5.7925 6.5166 7.0344 6.0206 7.3869 6.5415 6.6957 6.9114 5.7942 6.3657 6.7501 5.8965 2.6066 4.7966 5.1882 4.6250 4.3327 5.4597 5.6464 5.5887 5.8787 5.4084 4.7072 3.7660 4.8964 1.7500 4.6562 2.8580 1.5863 1.4791 1.7560 2.0937 4.0650 1.8262 1.3663 1.6334 1.0788 1.0932 1.0654 1.0642 1.0449 1.0680 1.0489 1.0474 1.0236 1.0452 1.0490 1.0365 1.0344 1.0496 1.0349 1.0479 1.0434 1.0574 1.0431 1.0367 1.0523 1.0302 1.0448 1.0588 1.0567 1.0538 1.0554 1.0434 1.0520 1.0410 1.0365 1.0441 1.0366 1.0278 1.0302 1.0282 1.0753 1.0776 1.0767 1.0752 1.0705 1.0691 1.0733 1.0722 1.0693 1.0703 1.0740 1.0689 1.0719 1.0710 1.0666 1.0660 1.0609 1.0541 1.0657 1.0653 1.0746 1.0652 1.0652 1.0721 1.0575 1.0633 1.0745 1.0633 1.0629 1.0753 1.0540 1.0534 1.0769 1.0728 1.0801 1.0682 1.0665 1.0674 1.0672 1.0674 1.0668 1.0682 0.0018 0.0033 0.0038 0.0077 0.0084 0.0087 0.0107 0.0141 0.0157 0.0156 0.0215 0.0226 0.0272 0.0358 0.0438 0.0767 0.0923 0.0844 0.0409 0.0845 0.0941 0.0923 0.0945 0.1280 0.1364 0.1401 0.1536 0.1428 0.1371 0.1137 0.1579 0.0585 0.1664 0.1103 0.0680 0.0650 0.0773 0.0993 0.1954 0.0904 0.0718 0.0902 0.0946 0.0997 0.0985 0.0993 0.1107 0.1193 0.1368 0.1510 0.1630 0.1751 0.1829 0.1872 0.1885 0.2124 0.2133 0.2205 0.2466 0.2572 0.2608 0.2617 0.2744 0.2839 0.2949 0.3059 0.3102 0.3225 0.3367 0.3404 0.3723 0.3960 0.4058 0.4155 0.4413 0.4566 0.4819 0.4909 1.6094 1.6152 1.6186 1.6302 1.6302 1.6489 1.6589 1.6632 1.6939 1.7010 1.7106 1.7166 1.7296 1.7532 6.7703 6.8556 6.9196 7.0287 7.1924 7.3129 7.4045 7.4356 7.4573 7.5374 7.4944 7.6034 7.7540 7.6949 7.7447 7.8555 7.7620 7.8059 8.0322 8.0133 8.1344 8.5346 9.1928 9.2186 9.2287 9.2316 9.2360 9.2660 8.8429 2.1093 8.8209 4.1397 1.4233 1.6047 8.0960 14.0070 0.4645 0.8476 2.0536 5.0007 5.3581 2.8596 12.9691 27.4269 68.6725 11.6496 23.3147 18.4224 24.3417 1.8824 54.6680 59.3271 13.6210 59.3761 27.3976 45.3470 17.4464 16.8546 6.8821 134.4073 43.3125 53.7745 178.5575 157.1120 76.7960 103.6143 27.0096 30.2986 226.5925 94.7957 170.5403 158.0629 105.9691 86.8557 69.4781 121.2795 18.1448 96.2927 15.9584 37.1538 56.6426 85.9646 8.7953 248.9027 8.2194 3.3045 42.0338 475.6767 119.1739 71.7554 102.6182 108.9823 104.4098 313.5538 560.6390 860.6276 884.6858 236.5762 441.2332 277.3949 257.6179 96.3251 304.5291 63.0503 26.0625 89.2556 176.5552 263.5010 286.8814 185.8874 5.7438 42.7260 16.2659 112.8243 30.5786 150.2134 234.7811 68.1111 162.9040 7.6815 1174.5790 1240.2746 1218.7549 2496.6039 38.8483 1217.3875 1282.2450 1106.5862 399.7041 1347.5854 265.8078 1894.3791 1992.1661 296.0181 346.1588 1063.4305 186.7730 266.7842 816.2821 1030.9428 914.2989 373.5500 125.7858 151.1951 126.2185 115.9049 123.1409 143.3821 -0.02 0.07 -0.10 -0.03 0.07 -0.05 0.01 -0.20 0.16 0.08 0.04 0.12 0.15 0.04 0.13 0.01 -0.03 -0.12 0.01 -0.04 0.08 0.07 -0.00 0.08 0.07 0.12 -0.16 -0.01 0.07 -0.12 0.03 0.08 -0.12 0.00 -0.20 0.18 -0.00 -0.16 0.09 -0.07 0.11 0.06 -0.04 0.08 0.13 -0.03 0.06 0.01 -0.07 -0.02 0.05 -0.01 -0.04 0.03 -0.07 -0.02 0.05 -0.03 -0.03 0.28 -0.01 -0.09 0.24 -0.03 -0.02 0.28 0.09 -0.05 -0.01 0.09 -0.07 0.00 0.09 0.01 -0.05 -0.07 -0.01 0.03 -0.07 -0.02 0.05 -0.01 0.00 0.07 0.05 0.09 -0.12 0.04 0.07 -0.15 0.03 0.07 -0.13 0.06 -0.06 -0.01 0.10 -0.05 -0.00 0.05 -0.04 -0.04 0.03 -0.03 -0.07 0.02 0.01 -0.10 0.10 -0.06 -0.18 -0.09 0.07 -0.16 -0.06 0.08 -0.15 -0.03 0.05 -0.07 -0.09 0.03 -0.05 0.01 0.06 -0.11 0.05 -0.09 -0.08 -0.05 -0.08 -0.03 0.00 0.07 -0.04 0.16 0.30 0.18 0.41 0.31 0.17 0.04 0.08 0.18 0.01 0.10 0.09 0.10 0.14 0.09 0.09 0.00 0.24 -0.04 -0.09 -0.05 -0.02 -0.09 -0.05 -0.02 0.09 -0.04 -0.04 0.07 -0.02 -0.09 -0.03 0.01 -0.06 0.01 0.00 -0.09 -0.00 0.03 -0.05 0.02 -0.00 -0.03 -0.03 -0.03 -0.09 0.05 -0.01 -0.01 0.10 -0.02 -0.01 0.09 -0.03 -0.01 0.12 -0.01 -0.00 -0.11 -0.09 -0.01 -0.12 -0.08 -0.00 -0.11 -0.07 -0.01 0.03 0.02 -0.05 0.01 0.05 0.05 0.10 0.07 0.01 -0.10 -0.03 0.03 -0.04 0.04 0.02 -0.10 -0.03 -0.03 -0.13 -0.09 -0.04 -0.14 -0.09 -0.02 -0.13 -0.07 -0.03 0.03 0.03 -0.02 0.00 0.01 -0.06 0.04 0.05 0.02 -0.11 -0.03 0.02 -0.11 -0.03 0.03 -0.03 -0.05 0.01 -0.09 -0.04 0.02 -0.08 -0.06 -0.01 0.08 0.03 0.01 0.01 -0.04 0.01 -0.07 -0.04 -0.02 -0.19 0.06 -0.09 -0.23 0.12 -0.11 0.03 0.36 -0.05 0.02 0.21 -0.00 -0.18 0.05 -0.06 -0.17 0.49 0.00 0.03 -0.03 -0.02 0.04 -0.05 0.03 -0.09 -0.06 0.05 -0.07 -0.08 0.03 0.01 -0.08 0.04 0.01 -0.06 0.03 -0.01 -0.09 -0.00 0.12 -0.05 -0.01 0.08 -0.08 -0.00 0.15 -0.08 0.05 -0.00 -0.03 0.04 -0.05 -0.04 0.06 -0.02 -0.06 -0.01 0.01 -0.12 -0.01 -0.04 -0.08 -0.01 0.01 -0.12 -0.04 0.05 0.11 -0.02 0.08 0.04 -0.02 -0.03 0.10 -0.03 0.04 -0.05 -0.03 0.05 0.06 0.04 0.05 -0.04 0.05 -0.13 0.01 0.08 -0.17 -0.00 0.03 -0.08 0.01 0.06 -0.03 -0.12 0.05 -0.00 -0.09 0.08 -0.04 -0.13 -0.01 0.11 -0.03 0.00 0.10 -0.01 -0.01 0.07 0.05 -0.01 0.11 -0.02 0.02 0.07 0.01 0.08 -0.05 -0.24 0.04 0.00 -0.04 -0.05 0.13 0.00 0.03 -0.12 -0.02 -0.08 -0.13 -0.02 -0.09 0.01 0.11 -0.06 0.00 0.03 0.05 -0.06 0.02 -0.07 -0.09 0.18 0.01 0.09 -0.14 -0.00 0.07 -0.12 -0.07 0.12 0.05 -0.08 0.08 0.13 0.09 -0.09 0.12 0.07 -0.07 0.07 0.08 -0.04 0.17 -0.08 -0.07 -0.00 -0.07 -0.01 0.04 -0.14 -0.09 0.06 0.01 -0.01 -0.06 -0.03 0.03 -0.02 0.02 -0.04 -0.12 -0.03 0.07 0.08 0.00 0.07 0.09 -0.03 0.08 0.03 -0.01 -0.03 -0.02 -0.02 -0.03 -0.03 0.02 -0.05 -0.00 -0.04 0.03 -0.08 -0.05 0.03 -0.03 -0.02 -0.02 -0.12 0.09 0.06 0.12 0.14 0.09 0.14 0.09 0.05 0.05 0.04 0.06 0.26 0.05 0.09 0.12 0.10 0.06 0.27 -0.03 -0.08 -0.20 -0.04 -0.07 -0.21 0.05 0.00 -0.14 -0.03 -0.11 -0.15 0.09 0.01 -0.19 0.01 0.24 0.02 -0.11 0.07 0.01 -0.04 0.09 -0.05 0.13 0.04 -0.04 0.22 0.04 -0.04 -0.12 -0.04 -0.02 -0.10 -0.05 -0.07 0.06 -0.05 -0.03 -0.16 -0.08 -0.03 -0.13 0.13 -0.04 -0.12 0.10 -0.01 -0.01 0.07 -0.08 0.03 0.07 -0.04 -0.02 -0.05 -0.00 -0.06 -0.08 -0.03 0.02 -0.02 0.02 0.10 -0.13 0.12 0.07 -0.16 0.09 0.14 -0.10 0.06 -0.09 -0.06 -0.09 -0.06 -0.01 -0.09 -0.09 -0.07 -0.05 0.04 -0.23 0.08 0.00 -0.23 0.06 0.03 -0.13 0.05 0.10 -0.06 -0.07 0.14 -0.08 -0.00 0.12 -0.02 -0.05 -0.07 0.08 0.04 -0.08 0.04 0.03 -0.05 0.09 0.05 -0.05 -0.17 0.00 -0.06 -0.11 0.03 -0.07 -0.10 0.02 0.11 0.07 0.03 0.10 0.13 0.01 0.18 0.07 0.09 -0.02 0.12 0.06 0.00 0.15 0.02 0.04 0.15 -0.05 -0.02 0.08 0.12 0.01 0.21 -0.01 -0.12 0.07 0.14 0.07 -0.09 -0.02 -0.12 -0.09 0.06 -0.06 0.13 -0.07 -0.02 0.16 -0.11 0.04 0.08 0.13 0.11 0.05 0.06 -0.05 0.14 -0.10 0.08 -0.05 0.21 0.05 -0.07 -0.03 0.03 -0.04 -0.08 -0.10 -0.10 0.03 -0.09 -0.10 0.06 0.10 -0.13 0.02 0.13 -0.08 0.01 0.07 -0.12 0.04 -0.04 -0.10 0.07 0.00 -0.10 0.06 0.01 -0.13 0.06 0.19 0.03 -0.07 0.05 -0.02 -0.04 0.18 0.07 -0.22 0.10 -0.06 0.06 0.08 -0.00 0.01 0.09 -0.00 0.01 -0.02 -0.04 -0.08 -0.02 -0.07 -0.02 -0.06 0.02 -0.10 0.07 0.03 -0.13 0.09 0.08 -0.07 0.07 0.05 -0.11 -0.03 0.12 -0.13 -0.06 0.14 -0.13 -0.01 0.08 -0.11 -0.03 -0.11 0.11 -0.05 -0.06 0.11 0.01 -0.10 0.12 -0.15 0.15 -0.04 -0.12 0.12 0.01 -0.09 -0.00 0.07 -0.15 0.09 0.06 -0.09 -0.01 0.08 0.16 0.05 -0.04 -0.06 -0.05 0.01 -0.03 -0.10 -0.01 -0.13 -0.10 -0.10 -0.28 -0.17 -0.00 0.10 0.15 -0.06 0.08 0.15 -0.02 -0.12 -0.08 -0.09 0.10 0.20 -0.10 -0.06 -0.02 -0.03 -0.05 -0.04 -0.01 -0.02 -0.08 -0.06 0.01 -0.06 -0.08 -0.06 -0.04 0.06 -0.02 -0.00 0.07 -0.02 -0.01 0.08 -0.14 0.05 0.14 -0.10 0.00 0.11 -0.20 0.10 0.14 0.07 0.15 0.02 0.04 0.08 -0.00 0.05 0.20 -0.00 -0.03 -0.10 0.04 -0.03 -0.09 0.03 -0.03 -0.10 0.03 0.10 0.16 0.07 0.07 0.15 0.07 0.04 0.15 0.03 -0.00 -0.06 0.02 0.03 0.02 0.01 -0.05 -0.07 0.01 -0.08 -0.03 -0.05 -0.09 -0.00 -0.04 -0.09 -0.02 -0.05 0.18 -0.02 -0.02 0.17 0.03 -0.02 0.23 -0.02 -0.04 -0.07 -0.11 0.00 -0.00 -0.06 -0.02 0.13 0.12 0.01 -0.11 -0.07 0.06 0.13 0.05 -0.03 -0.03 0.02 -0.03 -0.12 -0.15 -0.12 0.20 0.04 -0.05 -0.06 0.01 0.04 -0.09 0.03 0.01 0.02 0.03 0.01 0.01 0.03 0.01 -0.07 0.04 0.09 0.06 0.02 0.04 -0.12 -0.14 -0.14 -0.12 -0.13 -0.15 0.19 0.06 -0.04 0.15 0.05 -0.04 -0.18 -0.14 -0.06 -0.12 -0.10 -0.04 -0.14 -0.12 -0.05 0.15 0.03 0.11 0.10 0.07 0.14 0.17 0.01 0.12 0.03 0.02 0.02 0.13 0.05 -0.01 0.03 0.02 0.16 -0.01 0.07 0.18 -0.01 0.06 0.18 -0.01 0.07 0.14 -0.06 -0.02 0.02 -0.00 -0.02 0.05 -0.04 -0.02 0.03 0.01 -0.09 -0.18 0.02 -0.03 -0.10 0.07 -0.02 -0.13 -0.09 0.07 0.18 -0.04 0.12 0.20 -0.06 0.00 0.07 -0.00 -0.04 -0.06 -0.00 -0.03 -0.07 -0.01 -0.02 0.05 0.13 0.12 -0.06 0.13 0.10 -0.04 -0.03 0.01 -0.04 0.14 0.09 -0.01 -0.03 -0.03 -0.07 0.05 -0.03 0.18 0.06 -0.12 0.02 -0.08 -0.04 -0.01 0.26 -0.04 -0.15 0.20 -0.04 -0.16 -0.07 0.10 0.02 -0.09 0.10 0.06 0.21 -0.04 -0.05 0.01 0.11 0.05 0.08 -0.18 0.08 0.05 -0.12 -0.01 -0.08 -0.05 -0.02 -0.07 -0.03 -0.05 -0.09 0.07 0.03 -0.05 0.09 0.04 -0.08 0.07 0.03 -0.04 -0.06 -0.06 -0.09 -0.00 -0.02 -0.04 -0.08 -0.04 -0.09 0.10 0.06 -0.09 0.05 0.04 -0.08 0.09 0.04 -0.11 0.08 0.04 -0.06 0.05 0.08 -0.11 0.04 0.00 0.18 0.03 -0.13 0.14 0.03 -0.15 0.19 0.01 -0.12 -0.08 -0.06 -0.13 -0.07 -0.01 -0.10 -0.08 -0.02 -0.11 0.10 -0.02 0.19 0.08 0.01 0.20 0.13 -0.09 0.15 -0.01 0.01 -0.06 -0.00 -0.04 0.02 -0.06 -0.00 -0.11 -0.10 0.06 -0.05 -0.05 0.02 0.02 0.08 -0.04 0.07 -0.11 0.06 -0.02 0.02 -0.09 0.13 0.05 0.04 0.05 0.10 -0.03 -0.13 -0.06 0.13 0.03 -0.08 -0.04 -0.05 -0.18 -0.08 -0.01 0.02 -0.18 0.10 -0.06 -0.14 0.06 -0.02 0.02 -0.08 0.11 -0.20 0.16 0.13 -0.09 -0.10 0.13 -0.09 -0.10 -0.05 0.11 0.06 -0.04 0.12 0.04 -0.02 0.11 -0.07 -0.05 0.08 -0.07 -0.01 0.13 -0.06 -0.03 0.02 0.13 0.00 -0.02 0.10 -0.05 0.06 0.12 -0.19 -0.10 0.02 -0.14 -0.04 0.03 -0.18 -0.13 0.07 0.06 -0.10 0.05 0.09 -0.04 0.01 0.06 -0.10 -0.00 0.05 0.07 0.05 0.05 0.07 0.07 -0.00 0.08 0.01 0.05 -0.15 -0.11 0.04 -0.17 -0.09 0.07 -0.12 -0.08 0.07 0.10 -0.13 0.09 0.14 -0.12 0.09 0.07 -0.16 -0.04 0.19 -0.02 -0.03 0.15 0.01 -0.08 0.19 -0.05 -0.02 0.01 0.03 0.00 0.01 0.04 0.04 0.05 0.06 -0.03 0.01 0.06 0.07 -0.01 0.00 -0.15 0.18 -0.04 0.01 0.01 -0.17 -0.02 -0.04 0.17 0.16 -0.07 -0.06 0.13 -0.09 -0.03 0.11 0.01 -0.02 0.11 0.00 -0.01 0.15 -0.08 -0.04 0.08 0.03 -0.05 -0.02 0.07 -0.21 -0.03 -0.02 -0.10 -0.02 -0.02 0.14 -0.03 -0.01 0.12 0.03 -0.04 -0.08 0.08 -0.01 -0.04 0.03 -0.04 -0.08 -0.04 0.09 0.01 -0.07 0.08 0.01 0.02 0.07 -0.03 0.18 -0.01 0.02 0.10 -0.00 0.05 0.17 0.00 -0.05 -0.12 0.01 -0.01 -0.06 -0.01 0.03 -0.11 -0.11 0.01 -0.13 0.10 -0.15 -0.07 0.11 -0.14 -0.03 0.06 -0.10 -0.02 -0.22 0.06 0.02 -0.13 0.07 -0.04 -0.17 0.10 0.10 -0.05 0.07 0.14 0.00 0.10 0.09 -0.04 0.01 -0.08 0.03 0.03 -0.09 0.08 -0.00 -0.02 0.03 0.05 -0.00 -0.08 0.23 -0.02 -0.00 0.13 -0.13 0.14 -0.10 -0.02 -0.02 0.16 -0.14 0.13 -0.08 -0.05 -0.02 -0.03 -0.12 0.03 0.08 -0.10 -0.02 -0.14 0.10 -0.03 -0.09 0.05 -0.06 -0.04 0.17 -0.14 0.07 0.09 -0.10 0.01 0.06 -0.05 -0.05 0.18 -0.14 0.08 -0.09 0.01 0.03 -0.01 0.03 0.04 -0.09 -0.04 -0.14 -0.07 -0.05 -0.09 -0.08 -0.05 0.07 -0.13 -0.08 0.03 -0.08 -0.04 0.08 -0.06 0.11 0.06 0.03 0.13 0.07 -0.05 0.06 0.10 -0.18 -0.04 -0.07 -0.18 -0.06 -0.08 -0.20 0.06 -0.02 0.20 0.12 0.01 0.16 0.03 0.05 0.20 0.15 0.03 -0.07 0.16 -0.11 -0.05 0.16 -0.10 -0.02 0.13 -0.08 0.21 0.09 0.05 0.18 0.02 0.02 0.20 0.05 0.02 -0.01 -0.06 0.10 -0.03 -0.05 0.10 -0.02 -0.05 0.11 -0.02 -0.11 0.03 -0.03 -0.09 0.02 -0.01 -0.10 0.06 -0.02 -0.01 -0.00 -0.03 -0.01 0.01 -0.05 0.04 -0.05 -0.02 -0.02 0.01 -0.11 -0.02 -0.01 0.02 -0.17 -0.03 -0.01 0.01 0.05 0.14 0.04 0.09 0.06 -0.02 -0.12 0.01 -0.07 -0.03 -0.11 0.00 -0.01 -0.00 -0.04 -0.02 0.02 -0.06 -0.11 -0.16 -0.05 -0.01 -0.01 -0.03 0.15 -0.04 0.01 0.09 0.09 0.08 0.14 0.03 0.07 0.11 0.04 -0.00 -0.16 0.07 0.00 -0.12 0.02 -0.03 -0.17 -0.08 0.08 0.18 -0.04 0.04 0.15 -0.15 0.11 0.20 0.18 -0.08 0.00 0.17 -0.01 0.04 0.19 -0.12 -0.01 0.05 -0.12 0.07 0.03 -0.15 0.08 0.05 -0.03 0.03 -0.01 0.17 -0.08 -0.00 0.15 -0.04 0.00 0.18 -0.07 -0.03 0.14 0.02 -0.04 0.10 0.01 -0.02 0.10 -0.01 -0.05 -0.11 0.01 -0.11 -0.06 0.03 -0.06 -0.08 0.07 -0.16 0.06 -0.05 -0.14 -0.04 -0.02 -0.25 0.07 -0.05 0.02 0.01 -0.13 0.03 -0.03 -0.08 0.00 -0.05 -0.02 0.02 -0.01 -0.06 -0.05 -0.12 0.02 0.11 0.07 0.01 -0.12 -0.03 -0.01 -0.16 0.00 0.17 -0.03 0.03 0.02 -0.00 0.06 -0.02 0.12 -0.08 0.03 0.15 -0.09 -0.01 -0.09 0.00 0.08 0.08 -0.11 0.03 -0.13 -0.03 0.02 -0.12 -0.03 0.02 -0.15 -0.03 0.17 -0.09 0.03 0.10 -0.10 -0.09 -0.19 -0.05 -0.06 -0.15 -0.03 -0.04 -0.16 -0.04 -0.09 -0.14 -0.02 -0.03 -0.10 -0.06 -0.13 -0.09 0.13 -0.08 -0.04 -0.01 -0.07 0.02 0.11 0.02 -0.13 0.05 0.16 -0.04 -0.00 0.09 -0.01 0.05 0.15 0.01 0.16 -0.07 0.09 0.08 -0.07 0.03 0.11 -0.07 0.06 0.10 0.04 0.02 0.10 0.03 0.02 0.09 0.02 0.01 -0.14 -0.04 0.11 -0.12 -0.09 0.10 -0.14 -0.05 0.11 0.02 0.23 -0.05 0.02 0.22 -0.03 0.02 0.23 -0.05 -0.08 -0.02 -0.02 -0.08 -0.02 -0.02 0.11 0.04 0.02 -0.07 -0.04 -0.02 0.11 0.07 0.01 0.05 -0.10 -0.08 0.01 -0.01 -0.01 -0.35 -0.14 0.07 -0.01 0.01 0.01 -0.01 -0.00 0.02 -0.02 0.05 -0.03 -0.01 0.04 -0.03 -0.01 0.00 0.01 -0.06 0.05 -0.04 0.01 -0.01 0.00 -0.01 -0.02 0.01 -0.30 -0.20 0.07 -0.22 -0.14 0.02 0.01 0.02 -0.00 0.02 0.05 -0.01 -0.00 0.03 0.01 0.32 0.12 0.06 0.20 0.08 0.04 0.42 0.14 -0.03 -0.01 0.04 -0.07 -0.21 -0.06 -0.03 -0.02 0.08 -0.29 -0.03 -0.05 0.04 -0.03 -0.04 0.03 -0.02 -0.07 0.06 -0.02 0.07 0.02 0.06 0.08 0.03 -0.01 0.04 0.01 -0.04 -0.03 0.00 -0.03 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.02 -0.01 0.00 -0.04 0.05 0.04 -0.03 0.04 0.03 -0.03 0.03 -0.03 0.11 0.05 -0.03 0.04 0.02 -0.02 0.02 -0.00 -0.01 0.14 -0.03 -0.02 0.03 -0.06 -0.05 -0.01 0.01 0.00 0.02 -0.01 0.05 0.03 0.04 -0.04 -0.11 0.08 -0.02 -0.01 0.10 -0.05 0.19 -0.10 0.03 0.09 -0.06 0.01 -0.20 0.00 0.02 0.25 -0.08 0.05 0.03 0.01 0.02 0.03 0.02 0.03 0.02 0.04 -0.02 0.01 0.03 0.00 0.25 0.21 0.11 0.17 0.16 0.07 0.17 0.15 0.09 0.00 -0.00 -0.02 -0.06 0.00 -0.01 0.01 0.00 -0.03 0.01 -0.01 -0.02 -0.02 -0.01 -0.00 0.02 -0.05 -0.08 -0.16 -0.04 0.03 -0.16 -0.09 0.07 -0.16 -0.05 0.04 -0.05 -0.00 -0.06 -0.03 -0.00 -0.04 -0.05 0.01 -0.06 0.01 -0.10 -0.09 0.01 -0.08 -0.08 0.03 -0.07 -0.07 -0.20 -0.18 0.16 -0.19 -0.18 0.16 -0.22 -0.15 0.16 0.04 0.02 -0.02 0.05 0.00 -0.01 0.04 -0.02 -0.23 -0.01 0.08 -0.11 0.01 0.05 -0.06 -0.01 0.00 -0.00 -0.01 0.05 -0.05 -0.01 0.01 -0.00 -0.01 0.02 0.04 -0.04 0.06 -0.06 0.06 -0.03 -0.04 0.03 0.01 -0.06 -0.02 0.00 -0.04 0.04 -0.02 0.01 0.02 -0.01 -0.02 -0.02 -0.00 -0.00 0.02 -0.02 -0.00 -0.07 0.15 -0.19 -0.04 0.09 -0.10 -0.01 0.04 0.02 -0.13 -0.03 0.07 0.04 0.04 0.04 0.02 0.03 0.04 -0.05 -0.03 -0.01 0.01 0.04 0.02 -0.01 0.01 0.01 -0.11 0.13 0.04 0.00 -0.01 -0.03 -0.02 0.02 -0.01 0.00 -0.02 -0.05 -0.04 0.01 -0.01 -0.04 -0.00 -0.00 -0.04 -0.01 0.00 0.34 -0.00 0.20 0.22 -0.00 0.13 0.22 0.01 0.13 0.00 -0.00 0.01 -0.00 -0.01 0.02 0.02 -0.03 -0.01 -0.03 -0.01 0.00 0.01 0.01 0.02 -0.05 0.02 -0.03 -0.29 -0.23 -0.00 -0.29 -0.31 0.01 -0.34 -0.25 -0.09 0.02 -0.01 -0.04 0.03 -0.01 -0.04 -0.00 -0.04 -0.01 0.01 -0.00 -0.03 0.04 -0.02 0.00 -0.00 0.02 0.02 -0.00 -0.09 -0.03 0.00 -0.00 0.02 -0.07 0.05 -0.02 -0.03 0.06 -0.03 -0.26 0.10 -0.04 -0.16 0.06 -0.03 -0.12 0.01 0.01 -0.23 0.03 0.01 0.00 -0.06 -0.10 0.02 -0.05 -0.10 -0.03 0.03 0.05 -0.07 0.01 0.05 0.13 0.06 0.10 0.10 0.06 0.06 0.10 0.06 0.12 0.00 0.00 0.01 0.11 0.03 0.03 0.03 -0.07 0.05 -0.00 0.00 -0.02 -0.02 0.03 -0.00 0.02 -0.11 -0.10 0.29 0.11 -0.05 0.19 0.00 -0.01 0.29 0.18 -0.02 0.01 0.00 -0.02 -0.00 -0.00 -0.01 -0.01 0.02 -0.03 0.01 -0.06 -0.09 0.02 -0.05 -0.06 -0.01 -0.03 -0.07 -0.10 -0.08 0.10 -0.07 -0.10 0.09 -0.11 -0.09 0.08 0.01 0.00 -0.07 0.01 -0.03 -0.04 0.02 -0.08 -0.43 0.02 -0.16 0.15 0.02 -0.10 0.09 0.01 0.01 0.00 -0.01 -0.08 0.07 0.00 -0.01 0.00 0.01 -0.02 -0.03 -0.00 0.04 -0.05 -0.04 -0.04 -0.04 -0.02 0.02 -0.01 -0.01 0.02 -0.02 -0.05 -0.02 -0.01 -0.01 -0.04 0.02 -0.04 0.00 0.00 -0.03 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.03 -0.09 -0.11 0.12 -0.06 -0.12 -0.05 0.16 -0.10 -0.01 0.15 -0.01 -0.09 0.06 -0.19 -0.04 -0.01 -0.00 -0.00 -0.00 -0.00 -0.09 0.00 0.03 0.06 -0.01 0.03 0.06 -0.06 0.01 0.07 -0.05 -0.02 0.05 0.01 -0.01 0.03 -0.01 0.00 0.05 0.03 -0.01 0.03 -0.01 0.01 0.02 -0.02 0.01 0.02 -0.00 0.00 -0.00 -0.03 -0.04 -0.00 -0.03 -0.03 0.00 -0.00 -0.02 -0.03 -0.03 0.04 -0.02 -0.02 0.04 -0.04 -0.02 0.02 -0.01 -0.01 0.15 -0.01 0.03 0.11 -0.04 0.14 0.84 0.02 0.02 0.06 -0.01 0.01 0.06 -0.00 -0.01 -0.02 0.03 0.03 0.00 -0.01 -0.00 -0.01 0.03 -0.18 -0.12 0.02 0.00 -0.01 -0.09 0.02 0.06 0.02 0.01 -0.04 0.07 0.04 -0.09 0.03 0.05 0.00 -0.01 0.06 0.01 0.00 0.00 -0.02 0.04 0.07 0.00 -0.01 0.05 -0.04 -0.02 0.01 0.00 -0.03 -0.06 0.04 0.05 -0.01 0.01 0.06 -0.08 0.01 0.03 -0.08 -0.04 0.07 -0.02 0.06 -0.18 0.02 0.04 -0.10 0.02 0.03 -0.54 0.16 0.20 -0.07 0.01 -0.01 -0.08 -0.01 -0.03 -0.07 0.03 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.03 0.05 -0.14 -0.01 0.04 -0.16 0.02 0.02 -0.09 -0.02 -0.01 -0.02 -0.03 -0.00 0.01 -0.01 0.03 0.07 0.04 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.05 -0.04 0.04 0.01 -0.05 -0.01 0.02 -0.19 0.13 0.25 0.20 -0.02 0.16 0.26 -0.01 -0.14 -0.04 0.22 0.23 -0.02 0.02 -0.07 -0.02 -0.03 0.06 0.00 -0.01 -0.01 0.03 0.01 -0.02 -0.01 0.03 -0.02 0.01 0.19 0.00 -0.02 -0.01 -0.01 -0.01 -0.00 -0.02 -0.02 0.02 -0.08 -0.06 -0.04 -0.02 -0.02 0.00 -0.04 0.04 0.01 -0.02 0.02 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 0.04 0.02 -0.00 0.04 0.03 -0.02 0.03 0.01 0.03 0.07 0.25 0.02 0.11 0.30 -0.09 0.09 0.32 0.03 -0.00 -0.02 0.01 0.00 -0.01 0.03 -0.02 -0.05 -0.08 0.30 0.00 -0.06 0.28 0.04 -0.07 0.16 0.07 0.03 -0.17 -0.05 0.10 -0.20 0.02 0.03 -0.13 -0.04 -0.01 -0.03 0.02 -0.01 -0.03 0.03 0.01 -0.05 0.01 0.01 -0.14 -0.21 -0.03 -0.35 -0.30 -0.01 -0.08 -0.08 0.02 0.01 0.01 0.01 0.04 -0.01 0.05 0.01 0.02 -0.00 -0.04 -0.08 0.05 -0.01 -0.10 -0.00 -0.03 -0.05 -0.03 -0.06 0.04 -0.01 0.04 -0.02 0.01 -0.04 -0.03 -0.12 -0.03 0.07 -0.05 0.05 -0.04 0.06 -0.03 0.00 0.02 -0.04 0.01 -0.05 -0.16 -0.01 0.07 -0.21 -0.09 0.09 -0.01 -0.00 -0.11 -0.29 0.03 -0.06 -0.06 -0.02 0.01 -0.03 -0.03 -0.04 0.04 -0.04 -0.03 0.03 -0.01 -0.17 0.15 0.23 -0.09 0.21 0.29 -0.14 0.13 0.21 -0.02 -0.00 -0.02 -0.02 -0.01 -0.03 -0.04 0.01 -0.02 0.24 -0.02 -0.09 0.06 -0.01 0.00 0.24 -0.03 -0.33 -0.02 -0.03 0.01 -0.01 -0.00 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.03 -0.02 -0.00 0.02 0.00 -0.02 0.04 0.01 0.03 0.00 -0.01 -0.02 -0.02 0.01 0.04 0.00 0.02 0.07 -0.03 0.01 0.12 -0.02 0.04 0.03 -0.06 0.02 0.02 -0.06 0.03 -0.01 -0.07 0.03 -0.04 -0.35 0.01 0.05 0.06 -0.02 0.04 0.07 -0.01 -0.01 -0.01 0.03 0.05 0.01 -0.01 -0.02 -0.02 -0.08 0.17 -0.03 0.01 -0.01 0.05 0.01 -0.02 -0.01 -0.00 0.01 -0.02 0.01 0.07 -0.13 0.00 0.02 -0.00 -0.01 0.03 -0.04 0.01 0.06 0.03 -0.03 0.01 -0.02 0.02 -0.07 0.13 0.00 -0.03 0.09 -0.03 0.00 0.06 -0.08 -0.02 0.07 -0.04 0.03 -0.01 -0.03 0.03 0.01 -0.04 0.01 -0.02 -0.06 0.16 0.04 -0.02 0.04 -0.05 -0.40 0.40 0.10 -0.01 -0.00 -0.06 -0.06 0.01 -0.03 -0.01 -0.02 -0.12 0.06 -0.13 -0.12 0.04 -0.15 -0.12 0.06 -0.10 -0.10 0.04 -0.16 -0.02 0.10 -0.18 0.02 0.03 -0.13 -0.02 -0.01 -0.06 0.03 -0.01 -0.06 0.05 0.02 -0.07 0.03 0.00 0.11 0.12 -0.00 0.23 0.17 0.02 0.05 0.07 0.02 -0.04 0.02 0.00 0.05 -0.03 0.14 -0.06 -0.04 0.10 -0.05 -0.12 0.08 -0.02 -0.17 -0.04 0.03 -0.10 0.10 -0.03 -0.14 -0.06 0.15 -0.06 0.01 -0.07 0.17 0.02 -0.03 -0.04 -0.03 -0.07 -0.11 -0.05 0.03 -0.01 0.05 0.10 -0.12 -0.02 -0.08 -0.00 0.03 -0.11 0.07 -0.04 0.05 0.01 -0.06 -0.03 -0.05 -0.01 0.06 -0.16 0.01 0.01 -0.10 0.00 -0.08 -0.19 0.06 -0.05 -0.23 0.05 -0.12 0.08 0.05 -0.09 0.02 0.06 -0.03 0.16 0.02 0.13 0.07 -0.00 0.04 0.02 -0.06 0.25 0.03 0.07 0.05 0.13 0.13 -0.03 0.08 0.05 0.14 0.23 -0.02 -0.06 -0.09 -0.03 -0.09 -0.07 -0.02 -0.05 -0.06 0.01 -0.11 -0.08 0.07 -0.12 -0.03 -0.02 -0.10 -0.10 0.01 0.08 0.06 -0.00 0.03 0.04 -0.00 -0.00 -0.00 0.02 0.03 0.09 0.07 0.11 0.13 0.03 -0.00 0.00 -0.07 0.23 -0.03 -0.03 0.06 0.08 -0.30 0.26 0.04 -0.04 -0.07 -0.06 0.02 -0.07 -0.04 0.04 -0.12 0.12 -0.07 -0.04 -0.00 0.08 -0.16 0.10 0.08 -0.05 0.20 0.00 0.03 -0.10 0.01 0.00 0.04 -0.16 0.02 0.12 -0.07 0.03 0.13 -0.03 0.05 -0.01 -0.02 0.06 -0.08 -0.12 0.02 0.04 -0.20 0.05 -0.09 0.01 0.04 -0.17 0.06 -0.03 -0.07 -0.01 0.00 0.10 -0.03 0.00 0.09 -0.12 0.07 -0.02 -0.08 0.08 0.03 -0.07 0.07 -0.04 -0.07 -0.05 -0.03 -0.04 -0.00 0.00 -0.27 -0.01 0.09 -0.02 -0.04 -0.11 -0.10 0.01 -0.07 -0.01 -0.09 -0.22 -0.02 0.01 0.03 0.00 0.00 0.04 -0.02 -0.03 0.04 0.01 0.05 -0.20 0.05 0.03 -0.14 -0.02 0.07 -0.23 0.06 -0.02 0.17 0.06 -0.04 0.20 0.10 -0.11 0.12 0.09 -0.07 0.03 0.17 -0.12 0.02 0.08 -0.06 -0.03 0.06 -0.07 0.02 0.06 -0.08 0.07 0.06 -0.08 -0.02 0.11 0.07 -0.12 0.08 -0.00 -0.05 0.12 -0.03 0.12 0.15 0.02 -0.13 0.09 -0.18 0.11 0.05 -0.06 -0.02 0.02 0.00 -0.06 -0.00 0.07 0.04 -0.10 0.03 0.04 -0.00 0.08 -0.04 0.06 -0.02 0.02 0.05 -0.01 0.00 -0.08 0.04 0.02 0.21 -0.09 0.13 0.04 -0.04 -0.05 0.05 0.03 -0.14 -0.03 0.08 0.08 -0.05 0.05 0.13 -0.05 0.05 -0.08 -0.04 0.03 -0.03 -0.03 0.02 -0.12 0.06 0.10 0.07 -0.05 0.02 0.03 0.14 0.18 -0.05 -0.02 -0.01 -0.02 -0.05 0.01 0.00 -0.02 0.02 -0.03 -0.12 -0.05 -0.04 -0.10 -0.06 -0.02 -0.13 0.00 -0.09 0.04 -0.09 -0.11 0.09 -0.10 -0.07 0.01 -0.06 -0.13 0.00 0.27 -0.15 -0.02 0.23 -0.22 -0.09 0.28 -0.16 0.05 -0.02 0.06 0.11 -0.01 0.08 0.06 -0.05 -0.01 0.08 -0.13 0.02 0.06 -0.05 -0.01 0.19 -0.15 -0.04 -0.09 -0.14 0.20 -0.02 -0.05 0.13 0.05 -0.04 -0.03 -0.15 -0.03 0.17 0.02 -0.03 0.01 0.05 -0.07 -0.05 0.11 0.19 0.04 -0.04 0.07 0.01 -0.11 0.03 0.07 -0.09 0.03 0.07 -0.00 -0.12 -0.01 0.00 -0.14 0.02 -0.10 0.04 0.04 0.06 -0.13 0.03 0.04 0.23 0.14 -0.05 0.16 0.21 -0.04 0.10 -0.03 -0.06 0.06 0.04 -0.11 -0.08 -0.04 -0.05 -0.04 0.00 -0.03 -0.03 -0.02 0.05 0.01 0.06 0.09 -0.01 0.05 0.20 -0.05 -0.00 0.08 0.09 0.07 0.09 0.07 0.06 0.06 0.19 0.12 0.12 0.03 -0.10 0.14 0.01 -0.08 0.13 -0.03 -0.08 0.07 0.01 -0.11 0.07 -0.01 -0.08 0.02 0.04 -0.14 -0.12 -0.21 -0.06 -0.11 -0.19 -0.05 -0.09 -0.13 0.01 0.08 -0.02 0.06 0.10 -0.13 0.01 0.04 0.07 0.12 0.01 -0.08 -0.01 0.01 -0.07 -0.04 0.06 -0.13 -0.22 -0.13 0.09 -0.01 -0.07 0.05 0.08 0.04 -0.02 -0.03 -0.16 0.08 0.08 0.01 0.03 0.04 -0.04 0.17 -0.14 0.04 -0.07 0.08 -0.03 -0.07 -0.08 -0.16 0.02 0.14 -0.19 -0.04 0.23 -0.02 -0.05 -0.00 0.01 -0.07 0.03 -0.11 0.02 0.06 0.02 -0.05 0.02 0.06 -0.11 0.10 0.04 -0.03 0.00 -0.03 -0.07 -0.08 -0.03 -0.07 -0.09 0.03 -0.08 0.08 0.03 -0.05 0.03 -0.03 -0.07 0.10 -0.04 -0.07 -0.06 -0.06 -0.02 -0.02 -0.26 -0.02 0.06 0.03 0.04 0.04 0.02 -0.02 0.02 0.01 0.10 0.05 -0.04 -0.00 0.08 0.01 0.04 0.08 -0.04 0.02 0.01 0.15 0.10 -0.13 0.11 0.07 -0.10 0.08 0.14 -0.17 0.01 0.08 -0.05 -0.01 0.06 -0.06 0.01 0.10 -0.03 0.10 -0.07 -0.01 0.15 -0.23 -0.07 0.11 -0.08 0.01 -0.16 0.06 -0.03 -0.15 0.03 -0.06 -0.19 0.07 0.01 0.14 -0.03 0.06 0.05 0.02 -0.04 -0.03 0.14 -0.20 0.17 -0.01 -0.08 -0.09 0.20 -0.12 -0.01 -0.01 -0.19 0.00 -0.15 -0.03 -0.01 0.06 0.06 -0.06 0.04 -0.02 -0.10 0.05 -0.04 -0.05 0.05 -0.00 -0.02 0.04 0.01 -0.07 0.07 0.01 -0.20 0.11 -0.11 0.05 -0.19 -0.06 0.10 -0.19 -0.05 0.02 0.06 -0.02 0.05 0.07 -0.01 0.04 0.01 0.02 0.04 -0.00 0.03 -0.01 -0.05 -0.02 0.04 0.01 0.05 0.03 -0.03 0.03 0.40 -0.11 -0.12 -0.01 -0.04 0.03 0.04 0.00 0.03 0.00 -0.10 0.07 -0.03 0.00 -0.10 -0.05 -0.03 -0.08 -0.02 -0.07 0.00 0.06 -0.01 0.01 0.00 -0.02 -0.00 0.02 0.02 -0.01 0.10 -0.01 0.23 0.11 -0.02 0.21 0.07 -0.07 0.20 0.05 -0.01 0.07 0.11 -0.04 0.07 0.08 -0.09 -0.02 -0.02 -0.03 -0.04 -0.02 0.00 -0.08 0.00 0.01 0.17 -0.19 0.15 -0.01 -0.11 0.16 0.02 -0.04 0.01 -0.13 -0.21 0.08 0.20 -0.00 0.01 -0.18 -0.02 0.03 0.01 0.06 -0.03 -0.11 -0.09 0.06 -0.07 0.01 0.03 -0.08 0.04 0.06 -0.12 -0.08 -0.15 -0.01 0.01 -0.20 0.05 -0.04 0.01 -0.05 -0.16 -0.11 -0.07 0.06 -0.06 -0.05 0.05 -0.07 -0.06 -0.12 0.09 -0.04 -0.16 0.02 0.07 0.02 -0.02 -0.13 0.05 -0.00 -0.13 0.06 0.02 -0.10 -0.02 -0.01 -0.05 -0.02 0.02 -0.03 -0.20 0.04 0.05 0.04 0.17 0.13 0.04 0.07 0.09 -0.01 0.40 0.22 -0.01 0.00 0.07 -0.02 0.00 0.07 -0.01 0.02 0.06 -0.05 -0.01 0.08 -0.04 0.01 0.06 -0.04 -0.02 0.08 0.03 0.04 0.07 0.01 -0.02 0.06 0.05 0.00 0.04 -0.01 -0.06 -0.00 0.01 -0.06 0.00 -0.01 -0.06 -0.02 0.07 -0.08 0.07 0.05 -0.00 0.01 0.23 -0.19 -0.41 0.09 0.02 -0.02 0.02 0.00 -0.03 -0.03 0.01 0.03 0.13 -0.00 -0.10 0.01 -0.01 -0.02 0.06 -0.01 0.01 -0.14 -0.09 0.00 -0.05 0.05 -0.02 0.10 -0.16 0.24 0.05 -0.23 0.34 -0.01 -0.04 -0.00 -0.00 -0.05 0.05 0.21 -0.14 0.11 -0.05 0.02 -0.05 -0.13 -0.08 -0.03 -0.10 -0.08 -0.02 -0.05 0.05 -0.02 -0.06 0.03 0.01 0.15 0.05 -0.06 0.10 0.01 -0.07 0.09 -0.00 -0.09 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.06 0.06 0.02 -0.00 0.05 0.08 0.02 0.02 0.06 -0.01 0.11 0.13 0.03 -0.01 -0.02 -0.03 -0.02 -0.04 0.03 0.02 0.02 0.07 0.01 -0.17 0.11 -0.00 -0.13 0.12 0.01 -0.15 0.00 -0.01 0.02 -0.00 -0.02 0.03 0.01 -0.02 0.02 -0.17 0.15 -0.07 -0.28 0.38 0.01 -0.15 0.11 -0.08 0.00 -0.05 0.01 -0.00 -0.06 0.03 -0.00 -0.06 -0.00 -0.03 0.03 0.01 -0.01 0.02 0.03 0.08 0.04 -0.06 -0.03 0.04 0.01 -0.03 -0.04 -0.00 0.01 0.01 0.01 0.02 -0.03 0.04 -0.08 0.10 0.06 0.00 0.00 -0.01 0.03 0.02 -0.03 -0.01 -0.04 -0.00 -0.00 -0.05 -0.01 -0.00 0.00 -0.01 -0.01 -0.05 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.05 0.05 0.06 0.01 0.14 -0.06 0.03 -0.03 0.05 0.06 -0.04 0.10 -0.04 -0.14 -0.04 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.10 0.05 0.03 0.00 0.05 0.01 -0.08 0.06 0.05 -0.00 0.07 -0.08 0.01 -0.00 0.02 0.01 0.00 0.02 0.01 0.01 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.02 0.01 -0.01 0.00 -0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.01 0.03 -0.05 -0.16 0.00 0.01 -0.04 -0.07 0.17 0.88 0.01 -0.01 -0.01 -0.02 -0.02 -0.01 0.01 0.01 0.03 0.03 -0.02 -0.05 0.03 0.01 0.01 -0.02 -0.02 -0.02 0.00 0.03 0.01 -0.05 0.07 -0.04 -0.03 -0.02 0.03 0.36 0.14 -0.20 -0.02 0.08 -0.00 -0.01 0.08 0.04 -0.03 -0.07 -0.05 0.02 0.10 0.01 0.00 0.03 0.02 0.01 0.02 0.04 -0.03 0.05 -0.05 -0.01 0.04 -0.01 -0.02 -0.00 0.00 -0.00 -0.01 0.05 0.01 -0.01 -0.02 -0.00 0.22 -0.19 -0.03 0.18 -0.24 -0.09 0.31 -0.20 0.02 -0.10 0.05 0.06 -0.06 0.06 0.05 -0.23 0.03 0.05 -0.05 0.29 0.09 0.03 0.25 0.04 -0.00 0.19 0.05 -0.08 -0.03 0.07 -0.04 -0.11 0.02 -0.15 -0.07 0.05 -0.06 0.01 0.08 -0.00 -0.00 -0.02 -0.07 0.01 0.01 -0.06 -0.08 -0.01 -0.07 -0.08 -0.01 0.00 -0.03 0.02 -0.00 -0.01 0.02 0.01 -0.02 0.03 -0.01 -0.05 -0.11 -0.00 -0.00 -0.09 -0.02 0.03 -0.02 -0.05 -0.02 -0.13 0.06 -0.07 -0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.16 -0.14 0.13 -0.01 -0.01 0.02 0.14 0.05 -0.06 -0.05 -0.09 -0.02 0.03 -0.13 -0.16 -0.00 -0.03 -0.01 0.01 -0.32 0.13 0.00 -0.01 -0.01 0.02 -0.01 0.00 0.14 -0.10 0.11 0.11 -0.07 0.02 0.02 0.00 0.01 -0.05 0.00 -0.11 -0.03 0.05 0.07 -0.05 0.07 -0.03 -0.02 0.05 -0.05 0.39 -0.11 -0.21 -0.05 0.17 -0.13 -0.06 0.13 -0.16 -0.13 0.50 0.04 0.02 -0.01 0.06 0.02 -0.00 0.06 0.01 0.01 0.04 0.03 -0.03 -0.01 -0.04 -0.01 -0.08 0.02 -0.05 -0.03 0.01 -0.01 0.02 -0.01 -0.05 -0.02 -0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.02 0.03 -0.00 -0.01 0.00 -0.02 -0.02 0.03 0.03 -0.01 -0.00 0.01 -0.06 0.04 0.05 -0.05 0.00 -0.00 0.04 0.03 -0.00 0.00 -0.04 -0.04 -0.09 0.03 0.10 0.01 -0.01 -0.02 0.05 0.03 0.01 0.05 0.02 0.01 -0.03 -0.00 -0.05 -0.01 -0.02 0.01 0.29 0.10 -0.16 -0.01 0.01 0.00 -0.02 0.02 0.04 -0.00 -0.06 -0.04 -0.06 0.08 -0.05 0.04 0.03 0.02 0.02 0.02 0.01 -0.05 0.02 -0.02 -0.08 0.00 -0.01 -0.02 -0.02 0.00 0.01 -0.00 0.04 -0.01 -0.03 -0.01 -0.11 0.02 0.04 -0.05 0.02 0.03 0.69 -0.36 -0.25 0.01 -0.02 0.03 -0.01 -0.02 0.04 0.03 -0.11 -0.04 -0.03 -0.01 -0.01 -0.03 -0.03 0.01 -0.03 0.01 -0.01 -0.00 -0.02 -0.00 -0.11 0.00 -0.10 -0.01 -0.06 -0.01 0.04 -0.00 -0.03 0.04 0.00 0.01 0.08 0.02 -0.01 -0.03 -0.00 -0.00 -0.06 0.15 0.06 -0.03 0.02 -0.01 -0.02 -0.02 -0.01 -0.03 0.01 -0.01 -0.00 -0.01 0.03 0.09 0.00 -0.00 0.14 0.03 -0.01 0.06 -0.02 -0.01 0.05 0.00 0.11 0.06 0.02 0.00 0.02 0.01 -0.01 -0.00 -0.05 -0.02 0.02 -0.00 -0.00 -0.05 -0.03 0.02 0.66 0.28 -0.42 0.06 -0.03 0.03 -0.04 0.01 0.06 -0.03 -0.11 -0.10 -0.16 0.19 -0.20 -0.01 -0.04 -0.01 -0.03 -0.03 -0.03 0.02 -0.01 0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 0.03 0.03 -0.00 -0.01 0.00 0.00 0.02 -0.03 0.00 0.02 0.00 0.03 -0.15 0.02 0.09 -0.01 0.02 -0.01 -0.02 -0.00 -0.02 0.02 -0.11 -0.10 0.04 0.02 -0.02 0.03 -0.02 0.01 0.04 0.03 -0.01 -0.01 0.04 0.02 0.06 0.08 -0.04 -0.04 -0.08 -0.03 -0.10 0.02 0.01 -0.11 0.02 0.06 -0.07 0.02 0.01 0.02 -0.00 -0.00 -0.01 0.17 0.07 0.02 0.01 -0.03 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 0.01 0.00 -0.03 0.01 -0.00 0.00 0.05 0.03 -0.01 0.01 -0.03 0.01 0.01 -0.01 0.03 0.01 -0.01 0.04 0.06 0.01 -0.00 -0.01 0.02 -0.02 -0.03 0.02 0.43 0.15 -0.23 -0.08 0.05 -0.04 0.07 -0.01 -0.11 -0.00 -0.09 -0.06 0.29 -0.33 0.35 0.05 0.04 0.02 0.07 0.03 0.04 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.05 -0.04 -0.00 -0.01 -0.01 0.01 0.05 -0.05 0.01 -0.01 -0.03 0.03 -0.31 0.12 0.14 0.00 -0.03 -0.00 0.04 0.01 -0.00 -0.04 0.18 0.16 -0.06 0.00 -0.04 -0.06 -0.04 -0.01 -0.06 -0.03 -0.00 -0.02 0.04 0.00 0.08 0.06 0.01 -0.02 -0.04 -0.01 0.12 -0.02 0.00 0.13 -0.03 -0.10 0.06 -0.02 0.01 -0.04 0.00 0.01 -0.09 0.22 0.09 -0.05 0.02 -0.02 -0.02 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.00 -0.02 0.01 0.01 -0.05 -0.01 0.01 0.01 0.06 0.03 0.01 -0.02 -0.01 0.03 0.03 -0.00 0.05 0.03 -0.02 0.19 0.04 -0.07 0.04 -0.02 0.00 0.04 -0.01 0.01 -0.17 -0.13 0.19 -0.00 -0.04 0.04 -0.09 -0.00 0.09 0.03 -0.02 0.01 -0.45 0.32 -0.39 0.16 0.04 -0.00 0.11 0.04 -0.02 0.04 -0.02 0.01 0.03 -0.02 0.00 -0.07 -0.05 0.01 0.01 0.03 0.03 -0.05 -0.01 0.04 0.03 0.00 -0.01 -0.02 -0.01 -0.02 -0.20 0.13 0.05 -0.01 0.05 -0.02 -0.05 0.00 -0.03 0.04 -0.19 -0.22 -0.02 0.00 0.01 -0.07 -0.05 0.03 -0.03 0.05 0.03 -0.03 -0.02 -0.02 0.02 -0.03 0.04 0.00 0.02 0.01 0.05 0.01 -0.02 0.06 0.03 0.08 0.09 -0.00 -0.02 -0.11 -0.03 -0.01 -0.18 0.23 0.09 -0.12 -0.00 -0.02 -0.04 -0.00 0.00 -0.04 -0.01 -0.02 -0.04 -0.01 -0.03 -0.04 -0.00 0.02 -0.03 0.01 0.02 0.04 0.04 0.01 -0.05 0.00 0.03 0.07 0.05 -0.01 0.32 0.11 0.00 -0.01 -0.10 0.06 0.06 -0.08 -0.05 0.02 0.02 -0.05 -0.18 -0.01 -0.01 0.02 0.01 -0.02 0.02 0.01 -0.04 -0.01 0.07 0.05 0.32 -0.17 0.23 -0.02 -0.05 -0.01 -0.01 -0.06 0.00 0.01 -0.01 -0.02 -0.08 -0.06 0.01 0.02 0.01 0.00 0.01 0.01 -0.01 -0.06 -0.03 -0.02 -0.01 0.03 -0.02 0.01 -0.01 -0.05 -0.09 0.09 -0.01 -0.00 -0.01 0.00 0.04 0.00 -0.00 -0.00 -0.00 0.06 0.04 0.00 0.03 0.05 0.06 -0.02 0.05 0.00 0.02 -0.17 -0.08 -0.03 -0.05 -0.09 0.05 -0.05 -0.07 0.05 -0.08 0.01 0.04 -0.09 -0.03 -0.05 -0.12 0.01 0.04 0.01 0.01 0.00 0.07 -0.32 -0.13 0.03 -0.04 0.04 -0.16 -0.06 0.02 -0.17 -0.05 -0.00 -0.12 -0.08 -0.08 -0.02 0.04 0.02 0.08 0.09 0.01 0.31 0.21 0.06 -0.06 0.12 0.04 0.28 0.09 0.00 -0.05 -0.00 -0.01 0.12 -0.01 -0.09 -0.01 0.01 -0.01 0.01 -0.00 0.01 -0.09 -0.09 0.16 0.03 0.01 -0.03 -0.03 0.03 -0.03 0.02 -0.03 -0.03 0.56 -0.22 0.36 0.11 -0.02 -0.05 0.08 -0.04 -0.03 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.04 -0.03 0.00 0.03 0.02 0.04 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.04 0.04 0.01 0.07 -0.08 0.00 0.00 0.00 0.02 -0.01 -0.00 0.02 0.05 -0.24 -0.13 0.05 0.03 0.01 -0.01 -0.07 0.06 0.05 0.06 0.05 0.03 0.00 -0.00 -0.03 -0.01 -0.01 0.01 0.04 -0.01 -0.12 0.04 0.08 -0.15 -0.06 -0.08 -0.16 0.02 0.06 -0.06 -0.04 -0.01 -0.14 0.36 0.15 -0.07 -0.01 -0.06 0.01 0.01 -0.00 0.01 0.02 -0.01 0.03 0.01 -0.00 0.01 0.01 -0.02 0.00 0.02 -0.04 -0.04 -0.05 -0.02 0.01 0.03 -0.05 0.00 -0.03 -0.04 0.01 0.01 -0.00 0.03 0.01 -0.01 -0.02 -0.01 0.02 -0.00 0.01 -0.00 -0.06 -0.05 0.09 0.04 0.04 0.02 0.19 -0.02 -0.11 0.01 -0.00 -0.04 -0.29 -0.04 -0.11 0.04 -0.01 -0.01 0.03 0.00 -0.03 -0.02 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.02 0.02 -0.13 -0.07 -0.03 -0.01 0.02 0.02 -0.00 0.00 -0.01 0.01 0.02 0.01 0.02 -0.03 0.00 0.02 -0.10 -0.03 0.08 -0.01 -0.01 -0.13 0.63 0.48 0.02 0.02 0.00 -0.00 -0.05 0.04 0.02 0.04 0.02 -0.00 -0.01 -0.00 -0.02 -0.02 0.01 -0.01 0.02 0.00 -0.06 0.00 -0.01 -0.04 0.08 0.08 -0.04 0.01 -0.00 -0.00 -0.03 -0.01 -0.09 0.30 0.12 -0.01 -0.01 -0.04 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.05 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 0.00 -0.00 0.03 0.00 0.01 -0.11 -0.01 0.07 0.01 -0.00 -0.01 -0.03 0.04 -0.03 -0.13 -0.08 0.16 -0.02 -0.01 -0.00 -0.06 0.00 0.04 0.03 0.03 -0.14 0.03 0.03 -0.00 -0.10 -0.01 0.03 -0.06 0.00 0.04 0.01 -0.00 0.00 0.00 -0.01 0.00 0.03 0.01 -0.01 0.04 0.01 -0.01 0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.01 0.03 0.01 -0.02 0.00 0.01 -0.01 0.03 0.01 -0.02 0.00 -0.00 0.03 -0.15 -0.12 -0.02 0.02 0.00 0.01 -0.12 0.12 -0.02 0.01 -0.01 -0.02 -0.02 0.01 -0.03 -0.04 0.05 -0.04 0.04 0.00 0.04 -0.02 -0.02 0.04 -0.03 -0.02 0.04 -0.01 -0.01 0.11 -0.08 -0.03 -0.15 0.80 0.31 0.08 0.01 -0.06 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.01 0.03 0.02 0.01 -0.01 0.00 0.01 0.01 0.01 0.02 -0.00 -0.01 0.00 -0.01 -0.00 0.04 0.05 -0.28 0.31 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.01 -0.17 0.06 0.03 0.00 -0.00 -0.01 0.07 0.11 -0.02 -0.00 0.00 -0.00 0.02 0.01 0.00 -0.03 0.00 -0.00 -0.15 -0.05 0.01 0.00 0.01 0.01 -0.06 -0.01 -0.07 -0.06 0.01 0.03 0.00 -0.00 -0.00 -0.04 -0.03 -0.02 -0.02 0.05 -0.03 -0.00 0.02 -0.05 0.46 0.23 -0.15 0.07 -0.33 0.48 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.02 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.03 -0.07 -0.02 0.04 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.05 0.17 -0.01 0.19 0.00 0.07 0.01 0.00 -0.00 0.02 0.02 -0.02 -0.01 -0.03 0.03 0.01 -0.04 0.07 0.03 -0.01 -0.00 0.00 0.01 -0.00 -0.02 0.03 0.00 -0.06 0.10 -0.01 0.00 -0.00 0.00 -0.03 0.02 -0.04 -0.04 -0.03 -0.01 -0.23 0.02 0.54 0.00 0.03 0.04 0.41 0.50 -0.05 0.00 -0.00 -0.00 0.04 -0.00 0.02 -0.00 0.00 0.01 0.09 0.03 0.03 -0.00 0.00 0.00 -0.06 -0.01 -0.07 0.00 0.06 0.05 -0.00 0.00 0.00 0.02 0.02 0.01 0.01 -0.03 0.02 0.03 -0.02 -0.04 -0.00 -0.09 -0.06 -0.04 0.28 0.08 -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 -0.01 0.01 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.06 -0.10 -0.04 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.03 0.01 -0.00 -0.00 0.05 -0.16 0.02 -0.18 0.01 -0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.01 0.03 -0.03 0.01 -0.00 -0.04 -0.03 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 -0.05 -0.02 0.03 -0.03 0.40 -0.27 0.53 -0.00 -0.00 -0.00 -0.02 -0.00 0.07 -0.15 -0.46 -0.38 0.05 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.02 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 -0.01 -0.05 -0.03 0.00 0.05 -0.05 0.00 -0.00 -0.00 -0.03 -0.02 0.00 -0.01 0.06 -0.02 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.05 -0.07 0.10 -0.04 0.13 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.03 0.02 0.10 -0.10 -0.02 -0.02 0.07 -0.02 -0.01 0.00 -0.00 -0.02 0.06 -0.01 0.07 -0.00 0.01 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.03 0.00 -0.01 0.02 0.02 0.02 -0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.04 0.06 0.15 -0.05 -0.27 0.00 -0.01 0.01 -0.06 0.04 -0.07 -0.01 -0.00 -0.00 -0.02 -0.01 0.15 0.04 0.08 0.04 0.09 0.12 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.02 0.00 0.00 -0.18 -0.11 0.06 0.01 0.00 0.01 0.02 -0.01 0.05 -0.09 -0.12 -0.07 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.00 0.02 0.00 -0.01 -0.00 -0.14 -0.08 0.03 -0.04 0.19 -0.11 -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 0.02 -0.02 -0.02 -0.01 -0.03 0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.07 0.01 -0.01 0.02 -0.04 0.05 -0.04 0.00 -0.01 -0.16 0.51 -0.09 0.57 -0.02 0.06 -0.00 -0.00 0.00 0.06 0.01 0.02 -0.03 -0.09 0.09 -0.04 0.06 0.01 0.11 0.02 0.02 0.00 -0.00 0.00 -0.05 0.07 -0.01 0.03 -0.02 -0.04 0.01 0.00 -0.01 -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 -0.01 -0.13 -0.05 0.16 -0.02 -0.01 -0.00 -0.01 -0.00 0.02 0.03 0.02 0.01 0.00 -0.00 0.00 -0.03 -0.02 0.00 0.01 -0.00 0.00 -0.01 -0.02 0.02 0.02 -0.01 -0.01 0.00 0.01 -0.01 0.05 0.09 0.05 -0.02 -0.10 0.09 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.06 -0.10 0.05 -0.00 0.03 0.06 -0.00 0.00 -0.00 -0.00 0.02 -0.05 0.05 -0.04 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.02 -0.00 0.68 0.06 0.13 -0.14 0.24 -0.55 -0.01 -0.00 -0.00 -0.02 0.06 0.01 0.06 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.02 -0.04 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.03 -0.03 0.07 -0.07 -0.06 0.00 -0.00 0.00 -0.03 0.04 -0.07 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 0.04 0.06 0.04 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.09 -0.02 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 0.03 0.05 0.00 -0.01 -0.00 -0.03 0.03 -0.30 -0.42 -0.22 0.03 0.49 -0.42 0.00 -0.01 0.00 -0.07 -0.01 0.03 -0.01 0.07 -0.06 0.02 0.02 0.01 -0.05 0.05 -0.04 0.00 0.19 -0.06 -0.01 0.01 -0.00 0.09 -0.01 0.09 0.02 0.03 0.02 -0.01 -0.00 0.00 -0.04 -0.06 0.04 0.08 0.02 0.02 -0.00 -0.02 -0.00 0.11 0.06 0.04 -0.02 0.04 -0.10 0.01 0.00 -0.00 0.01 -0.03 0.06 -0.05 0.01 0.01 0.01 0.00 -0.01 0.15 0.06 -0.02 0.00 0.02 -0.04 -0.05 -0.02 0.26 -0.05 -0.04 -0.02 0.01 0.00 0.01 0.02 -0.06 0.07 -0.31 0.23 0.44 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.03 0.44 0.13 0.08 0.01 0.00 0.00 0.02 0.02 -0.01 -0.11 -0.07 -0.03 -0.01 0.00 0.01 -0.08 -0.09 -0.05 0.08 0.09 -0.12 -0.00 0.00 0.00 -0.04 -0.06 -0.01 -0.01 0.04 -0.06 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.00 0.07 -0.02 0.00 0.00 -0.01 0.05 0.01 0.01 -0.03 -0.02 -0.03 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 0.05 0.05 0.03 -0.00 -0.00 -0.00 0.06 0.01 0.01 -0.01 0.01 -0.05 -0.03 -0.01 0.01 -0.05 0.14 -0.21 0.22 -0.04 -0.07 0.01 0.00 -0.01 -0.27 -0.07 -0.04 -0.03 -0.00 0.14 0.16 -0.25 -0.08 0.11 0.05 0.03 0.00 -0.00 0.00 -0.00 0.02 -0.05 0.10 -0.40 0.52 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.06 -0.01 -0.01 0.00 0.04 0.05 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 0.04 0.01 0.03 -0.03 -0.13 0.05 -0.20 -0.01 0.01 -0.01 0.09 -0.09 0.32 0.20 -0.15 -0.20 0.00 0.01 -0.01 0.00 0.10 0.05 -0.05 -0.07 0.09 -0.00 -0.02 0.00 -0.22 0.11 0.15 -0.05 0.18 -0.18 -0.00 -0.00 0.00 0.08 -0.01 0.04 0.00 -0.06 -0.06 0.00 -0.00 0.00 -0.02 0.01 -0.03 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.02 0.06 0.04 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.00 0.01 0.01 -0.00 -0.01 0.09 -0.03 -0.01 -0.06 0.00 0.00 0.00 0.02 0.08 -0.09 0.01 0.00 -0.02 0.01 -0.08 0.14 0.00 -0.06 -0.04 -0.00 0.00 0.00 0.07 -0.07 -0.09 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.00 0.00 0.04 -0.02 0.01 -0.05 -0.02 0.06 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.10 -0.13 0.12 -0.00 0.00 -0.00 0.01 -0.01 0.04 0.00 -0.01 0.00 0.01 0.12 -0.19 -0.12 0.12 0.15 0.01 -0.01 -0.00 -0.13 0.05 0.04 -0.03 0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.06 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.50 0.11 0.13 0.01 -0.38 -0.38 -0.00 0.00 0.00 -0.02 0.03 -0.07 0.02 -0.05 0.00 -0.00 0.00 0.00 0.03 0.07 -0.03 -0.01 0.17 0.13 -0.01 -0.01 -0.00 0.03 0.03 0.02 -0.11 0.23 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.01 0.00 0.03 0.00 -0.00 0.00 0.04 0.14 -0.15 0.00 -0.08 0.01 -0.02 -0.05 0.15 0.10 -0.10 -0.10 0.01 -0.01 -0.00 0.00 0.05 -0.14 -0.03 0.12 -0.18 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.07 0.03 -0.03 -0.03 -0.02 0.03 0.02 0.01 0.00 0.01 -0.01 0.00 -0.07 0.07 -0.13 0.00 -0.02 0.01 0.03 0.00 0.01 -0.01 0.01 0.01 0.04 -0.15 0.33 0.24 -0.16 -0.22 -0.00 -0.00 0.01 -0.06 -0.05 -0.02 0.09 0.03 -0.08 -0.00 0.01 -0.02 0.08 0.09 -0.02 0.00 -0.03 0.13 -0.01 0.01 0.01 0.30 0.11 0.05 0.00 -0.23 -0.22 -0.00 -0.00 -0.00 0.14 0.02 0.03 0.04 -0.06 0.01 0.00 0.01 0.01 -0.03 -0.05 0.03 0.03 -0.13 -0.10 -0.01 -0.01 -0.00 -0.02 0.03 0.01 -0.05 0.11 0.04 -0.01 0.00 -0.00 -0.03 0.05 0.10 0.03 -0.01 -0.04 -0.00 0.01 -0.00 -0.13 -0.22 0.21 -0.02 0.20 0.01 0.07 -0.03 -0.19 -0.20 0.14 0.14 -0.01 0.01 0.01 -0.06 0.05 0.10 -0.09 0.22 -0.20 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 0.01 -0.02 0.01 -0.03 0.02 0.02 -0.01 -0.05 0.01 -0.03 -0.00 0.00 -0.00 0.14 -0.11 0.21 -0.01 -0.02 0.01 0.13 0.04 0.02 -0.01 0.01 -0.00 0.00 -0.19 0.33 0.16 -0.24 -0.27 0.00 -0.00 0.00 0.02 -0.04 -0.02 -0.02 0.03 -0.01 -0.00 0.02 -0.02 0.11 0.07 -0.04 0.01 -0.07 0.14 0.00 0.00 -0.00 -0.03 0.01 -0.02 0.00 -0.03 0.06 0.00 0.00 -0.00 -0.09 -0.02 0.01 -0.03 0.07 -0.01 0.01 -0.01 -0.00 0.06 0.08 -0.18 -0.16 0.19 0.15 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 -0.02 -0.00 0.01 0.01 0.02 -0.05 -0.07 -0.04 -0.00 -0.06 0.00 -0.01 0.01 0.04 0.22 -0.25 0.01 -0.15 0.00 -0.05 0.08 0.00 0.20 -0.21 -0.21 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.03 0.10 -0.26 0.00 0.01 -0.00 -0.01 -0.03 0.06 0.00 0.00 -0.01 -0.08 0.05 -0.05 -0.01 -0.02 -0.02 0.06 -0.00 0.03 -0.00 0.00 -0.00 -0.02 -0.04 0.05 0.00 -0.01 0.01 -0.03 -0.03 0.02 -0.00 0.00 -0.00 0.01 -0.03 0.07 0.05 -0.03 -0.04 0.01 0.01 -0.01 -0.15 0.18 0.12 -0.04 -0.09 0.10 0.00 0.00 -0.00 0.03 0.01 -0.01 0.00 0.02 0.06 -0.00 -0.02 0.00 -0.05 -0.16 0.09 -0.03 0.33 -0.18 -0.00 -0.00 0.01 0.04 0.08 -0.16 -0.01 -0.16 -0.04 -0.01 0.00 -0.01 -0.14 -0.25 0.23 0.43 0.14 0.10 0.00 0.01 -0.00 -0.02 -0.05 -0.03 0.02 -0.03 0.02 0.00 0.00 -0.00 0.01 -0.02 0.04 -0.04 0.00 -0.00 -0.01 0.01 0.00 -0.11 0.03 -0.07 -0.02 0.01 0.06 0.09 -0.30 0.25 0.06 -0.03 -0.03 -0.01 0.00 0.00 -0.00 -0.04 0.11 -0.12 0.12 0.09 -0.00 -0.01 0.00 0.01 0.02 -0.04 0.00 0.00 -0.00 -0.05 0.03 -0.03 0.00 0.01 0.01 0.03 0.00 0.01 0.00 -0.00 0.00 0.01 0.13 -0.15 -0.01 -0.01 -0.00 0.17 0.07 0.01 0.00 0.00 -0.00 0.01 -0.02 0.06 -0.10 -0.14 -0.10 0.01 -0.01 -0.01 -0.05 0.07 0.05 -0.11 0.00 0.07 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.02 0.02 -0.00 -0.00 0.00 0.10 -0.03 0.06 -0.00 -0.02 -0.13 0.00 0.01 0.00 -0.26 -0.04 -0.04 0.03 0.11 0.05 -0.00 0.02 0.00 -0.08 -0.15 0.11 0.13 -0.24 -0.18 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.01 0.02 0.04 -0.06 -0.27 0.00 -0.01 -0.03 0.00 -0.01 -0.01 0.38 -0.02 0.17 0.07 -0.27 -0.16 -0.19 0.21 0.26 0.02 0.11 0.08 -0.01 0.01 -0.02 -0.02 -0.13 0.40 0.14 -0.15 -0.09 0.01 0.01 0.00 -0.02 -0.03 0.06 0.00 -0.00 0.00 -0.03 0.02 -0.02 0.02 -0.00 -0.04 -0.02 0.01 -0.01 0.00 0.00 -0.01 0.14 0.08 -0.04 -0.00 0.01 0.01 -0.19 0.01 -0.17 0.01 0.00 -0.01 -0.00 0.01 -0.03 -0.26 -0.18 -0.09 -0.00 -0.01 0.01 -0.06 -0.04 -0.01 0.05 0.05 -0.06 0.00 -0.01 0.00 -0.03 0.07 0.05 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.10 0.02 0.03 0.00 -0.08 -0.07 0.00 0.01 0.01 0.12 0.10 -0.14 -0.15 -0.18 -0.13 0.00 -0.00 0.01 -0.00 -0.03 -0.08 -0.08 -0.07 -0.05 -0.01 0.00 0.00 0.05 0.01 0.01 0.02 -0.08 -0.08 0.02 0.01 0.02 0.09 -0.19 -0.20 -0.18 0.01 -0.04 0.00 0.01 0.01 -0.13 -0.07 0.04 -0.09 -0.12 0.26 0.07 -0.02 -0.16 0.26 0.16 0.07 0.00 -0.00 0.00 -0.24 0.28 0.21 -0.07 0.05 0.10 -0.00 0.01 -0.00 -0.01 -0.04 0.09 0.00 0.01 0.01 0.00 0.01 -0.04 -0.04 -0.05 -0.01 -0.06 -0.01 -0.02 0.00 -0.01 -0.01 0.39 0.15 -0.01 0.00 0.00 -0.01 0.09 0.00 0.07 0.01 -0.00 -0.00 -0.27 -0.20 -0.14 0.09 0.09 0.05 -0.00 -0.01 -0.00 -0.10 0.05 0.04 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.04 -0.07 -0.01 0.02 -0.03 -0.10 -0.00 0.00 0.00 0.10 -0.05 0.08 0.00 -0.05 -0.10 -0.01 -0.00 0.01 0.20 0.13 -0.17 0.08 -0.27 0.01 -0.01 0.00 0.01 -0.03 -0.08 -0.12 -0.08 -0.08 -0.05 -0.01 0.01 0.00 -0.06 -0.01 -0.01 0.08 -0.19 -0.03 -0.01 -0.01 -0.01 -0.05 0.09 0.15 0.08 -0.01 0.01 0.01 -0.00 -0.00 0.11 0.06 -0.03 0.01 0.15 -0.05 -0.06 0.07 0.08 -0.12 -0.13 -0.08 0.01 0.01 0.00 -0.13 0.13 0.17 0.06 -0.06 -0.04 -0.00 -0.02 0.01 0.03 0.06 -0.13 0.00 0.00 0.00 -0.04 0.03 -0.05 0.13 0.10 -0.05 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 0.24 0.07 0.01 0.01 0.00 0.00 -0.08 -0.02 -0.02 0.00 -0.00 -0.00 -0.16 -0.11 -0.10 0.02 0.05 0.04 0.01 0.01 -0.01 0.01 0.01 -0.00 0.03 -0.02 0.00 0.01 0.00 0.01 -0.04 -0.01 0.03 0.01 0.01 -0.07 -0.01 0.00 0.01 0.15 0.02 0.05 -0.00 -0.05 -0.17 0.02 -0.01 -0.02 -0.27 -0.24 0.36 -0.09 0.49 0.03 -0.01 0.00 -0.00 -0.07 -0.14 0.01 0.11 0.03 0.02 -0.02 0.00 0.01 0.04 -0.02 0.01 0.03 -0.10 -0.08 0.00 -0.00 -0.00 -0.01 0.02 0.08 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.21 -0.06 -0.01 0.02 -0.01 -0.03 0.12 -0.18 -0.07 0.00 -0.03 -0.03 0.00 -0.01 0.02 0.02 -0.09 0.19 0.04 -0.04 -0.04 -0.01 0.00 -0.01 0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.18 -0.11 0.15 -0.01 0.00 -0.00 0.01 0.01 -0.02 0.08 -0.04 0.09 -0.00 0.00 0.00 -0.06 -0.01 -0.02 0.01 0.00 0.00 0.07 0.07 -0.02 -0.40 -0.26 -0.12 -0.00 0.00 -0.00 0.02 0.01 0.00 0.02 -0.03 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 -0.01 0.00 -0.00 0.02 -0.00 -0.02 -0.00 -0.01 0.07 -0.03 0.10 0.42 0.02 0.27 -0.00 -0.00 -0.00 0.01 0.01 -0.04 0.00 0.13 0.10 0.01 0.00 -0.01 -0.06 0.03 -0.00 0.02 -0.02 0.04 0.01 0.01 0.01 0.04 -0.05 -0.18 0.02 0.00 -0.04 -0.00 0.00 -0.00 -0.07 -0.04 0.01 0.08 0.21 -0.29 0.05 -0.09 -0.01 -0.33 -0.12 -0.01 0.00 -0.01 -0.01 -0.00 -0.04 0.11 0.02 -0.04 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.25 -0.13 0.19 0.08 0.05 -0.07 0.04 -0.03 0.03 0.01 -0.00 -0.00 0.00 0.11 -0.14 -0.00 0.01 -0.02 -0.03 -0.23 0.43 -0.00 0.01 0.00 -0.02 -0.07 0.09 -0.02 -0.13 -0.11 -0.00 0.00 -0.01 -0.03 0.04 0.02 -0.03 -0.01 0.02 -0.01 0.02 -0.01 0.07 -0.20 -0.14 0.00 -0.07 -0.00 0.01 0.01 -0.01 0.02 -0.08 0.07 0.01 -0.14 0.10 0.00 -0.00 0.00 0.04 -0.02 0.06 -0.11 0.04 -0.06 -0.02 -0.02 -0.01 0.12 0.33 0.14 -0.06 0.09 0.08 -0.01 0.01 0.00 0.04 -0.02 -0.00 0.04 -0.11 -0.07 0.01 0.01 -0.01 0.03 -0.07 0.02 -0.09 0.02 0.02 0.01 0.01 -0.01 0.05 0.01 0.01 -0.03 0.07 0.05 0.02 -0.20 0.32 -0.09 0.17 0.15 -0.01 -0.01 -0.01 0.00 -0.04 0.09 -0.05 0.09 -0.04 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.09 0.05 -0.06 0.06 0.04 -0.04 0.03 0.01 0.01 0.00 0.00 0.00 0.02 0.03 -0.03 -0.00 -0.01 0.01 0.07 0.10 -0.13 0.00 -0.00 -0.00 0.02 0.03 -0.03 -0.13 -0.06 -0.02 -0.02 0.01 -0.02 0.30 -0.02 -0.06 -0.01 -0.11 0.08 0.00 -0.00 0.00 -0.01 0.05 0.03 -0.00 0.02 0.02 -0.00 -0.01 0.01 -0.00 0.32 -0.24 0.02 -0.24 0.16 -0.00 -0.00 -0.00 0.37 -0.03 0.24 -0.14 0.02 -0.09 -0.01 0.01 -0.01 -0.08 -0.13 0.12 0.20 -0.01 -0.02 -0.01 -0.01 0.01 0.04 0.06 0.05 -0.02 0.03 -0.04 0.00 -0.00 0.00 -0.01 0.02 0.06 0.01 -0.01 -0.04 0.00 -0.01 -0.00 0.15 0.14 -0.11 -0.08 0.23 0.16 -0.08 -0.01 0.27 -0.03 -0.05 -0.04 0.00 0.01 0.01 -0.06 0.09 -0.01 0.05 -0.07 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 0.02 -0.15 -0.09 0.12 0.02 -0.01 0.01 0.00 -0.01 0.00 0.06 0.05 -0.05 0.00 0.01 -0.01 -0.07 -0.11 0.16 0.00 0.01 0.00 -0.17 -0.17 -0.02 0.13 0.05 0.00 -0.00 0.01 0.01 0.17 -0.10 -0.07 -0.04 0.04 0.01 0.00 0.01 0.00 -0.01 -0.07 -0.03 0.01 -0.02 -0.05 0.00 -0.01 0.01 -0.05 0.43 -0.35 0.01 -0.14 0.13 -0.00 0.01 0.00 -0.22 0.06 -0.24 0.18 -0.11 0.09 -0.01 0.01 -0.01 -0.04 -0.02 0.14 0.14 -0.02 -0.02 0.01 -0.02 0.00 -0.06 0.11 0.04 -0.03 0.09 0.05 -0.00 0.00 0.00 0.02 -0.04 -0.13 -0.03 0.01 0.05 -0.01 0.01 0.01 -0.14 -0.04 0.00 0.05 -0.24 -0.08 0.09 -0.18 0.01 0.12 0.00 -0.02 -0.01 0.01 -0.00 0.04 -0.08 0.06 0.01 -0.09 0.15 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.06 0.04 -0.08 0.00 0.00 0.00 -0.04 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.07 0.09 0.00 0.02 -0.03 -0.02 -0.30 0.58 -0.00 -0.00 -0.00 0.15 0.10 0.09 -0.06 -0.09 -0.06 -0.00 -0.00 0.01 0.04 -0.01 -0.01 0.04 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.17 -0.08 -0.02 0.08 -0.02 -0.01 -0.01 0.01 0.02 0.05 -0.03 -0.02 0.13 -0.13 -0.00 0.00 -0.00 0.10 -0.01 0.07 -0.04 0.01 -0.02 0.01 0.02 0.00 -0.11 -0.27 -0.03 0.09 -0.15 -0.12 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 0.07 0.02 0.01 0.01 -0.02 0.02 -0.05 0.10 -0.09 0.03 0.03 -0.00 -0.01 0.02 0.01 0.05 -0.05 -0.03 0.04 0.04 -0.05 0.23 -0.26 0.08 -0.16 -0.15 -0.00 0.01 -0.01 0.05 -0.18 0.28 -0.06 0.10 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.03 0.03 0.01 0.00 0.00 -0.00 0.01 -0.00 0.02 0.06 -0.05 0.00 -0.01 0.00 0.08 0.06 -0.05 -0.01 -0.01 -0.01 0.24 0.22 0.05 -0.11 -0.04 -0.01 0.01 -0.00 0.01 -0.02 -0.03 -0.01 -0.04 0.06 -0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.00 -0.01 0.02 0.06 0.00 0.00 0.00 0.01 0.08 -0.05 0.01 -0.09 0.04 0.01 -0.00 0.00 -0.27 0.02 -0.18 0.08 -0.02 0.04 -0.00 0.00 -0.00 0.01 0.03 0.01 -0.02 -0.05 -0.03 -0.00 0.00 0.00 0.01 0.03 0.02 0.04 -0.10 -0.06 0.01 -0.01 -0.02 -0.09 0.13 0.71 -0.02 -0.02 -0.09 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.02 -0.10 -0.05 0.03 -0.08 0.04 0.04 0.00 -0.02 -0.01 0.00 -0.00 0.02 -0.05 0.09 -0.00 -0.01 0.03 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.00 -0.02 0.24 -0.13 0.21 -0.12 -0.07 0.11 0.09 -0.02 0.04 0.01 -0.00 0.01 -0.06 0.11 -0.17 -0.00 -0.00 0.01 0.00 0.10 -0.18 0.00 0.01 0.00 -0.18 -0.15 -0.04 -0.02 -0.05 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.02 -0.01 -0.01 0.01 -0.00 0.03 -0.02 -0.03 0.02 -0.10 -0.01 -0.00 -0.00 0.00 0.03 -0.07 0.07 -0.02 0.13 -0.13 -0.01 0.00 -0.01 0.12 -0.03 0.13 0.13 0.05 0.09 -0.01 -0.01 -0.01 0.05 0.23 0.44 0.18 -0.10 -0.08 0.01 0.00 -0.01 -0.04 0.00 -0.01 -0.02 0.06 0.06 0.00 -0.00 0.00 -0.01 0.02 0.13 -0.01 -0.01 -0.04 -0.01 -0.01 0.02 -0.02 0.14 -0.17 -0.03 -0.04 0.09 -0.05 0.22 -0.26 0.16 -0.12 -0.13 0.01 -0.00 0.00 0.01 -0.01 0.02 -0.01 -0.01 0.06 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 0.00 -0.00 0.12 -0.06 0.09 0.18 0.11 -0.17 0.01 -0.01 0.01 0.01 0.00 -0.02 0.04 -0.13 0.17 -0.00 0.00 0.00 0.02 0.05 -0.07 0.01 0.01 0.01 -0.13 -0.09 -0.05 -0.16 -0.12 -0.06 0.01 -0.00 0.01 -0.03 0.02 0.03 -0.01 -0.02 0.04 -0.00 0.01 -0.00 0.01 -0.02 -0.02 0.01 -0.05 -0.02 -0.00 -0.03 0.02 0.01 0.31 -0.24 -0.03 0.27 -0.26 0.01 -0.01 0.02 -0.16 0.04 -0.17 -0.26 -0.06 -0.17 -0.00 -0.01 -0.00 0.04 0.10 0.07 0.06 0.21 0.17 -0.01 -0.02 0.01 0.06 0.03 0.04 -0.04 0.06 -0.04 0.00 0.00 0.00 -0.01 0.02 0.07 0.02 -0.01 -0.03 -0.00 -0.01 -0.01 0.09 -0.10 0.14 0.04 0.12 -0.14 -0.07 0.19 -0.16 -0.23 0.03 0.07 0.01 0.00 0.02 -0.08 0.19 -0.13 0.03 -0.02 -0.04 -0.01 0.00 0.00 -0.00 -0.02 0.04 -0.00 -0.00 -0.01 0.06 -0.04 0.07 0.19 0.11 -0.19 0.05 -0.00 0.02 -0.00 0.00 0.02 0.05 0.16 -0.15 -0.00 -0.00 0.00 -0.04 0.01 -0.04 -0.00 -0.02 -0.00 0.33 0.27 0.09 -0.03 0.02 0.04 0.00 -0.00 0.01 -0.00 -0.04 -0.02 0.00 0.05 -0.03 -0.01 -0.01 -0.01 0.02 0.04 -0.00 -0.01 0.01 0.07 0.00 0.01 0.00 0.06 0.03 0.00 0.01 -0.13 0.01 0.00 -0.00 0.02 -0.08 0.05 -0.15 -0.09 -0.09 -0.06 -0.01 -0.00 -0.01 0.01 0.08 0.21 0.09 -0.12 -0.09 -0.02 0.01 0.01 0.06 -0.01 0.01 0.09 -0.25 -0.15 -0.01 0.00 0.01 0.02 -0.02 -0.26 0.06 0.00 0.03 -0.00 0.00 0.02 -0.12 0.09 -0.15 0.07 0.08 -0.19 0.05 -0.02 -0.12 -0.12 -0.29 -0.20 -0.01 -0.01 -0.01 -0.08 0.07 0.10 -0.01 0.00 0.02 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.03 0.04 -0.12 -0.07 0.10 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.15 0.05 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.02 -0.02 0.31 0.24 0.12 0.27 0.21 0.11 -0.00 0.00 -0.00 0.01 0.04 0.02 0.02 -0.07 0.04 -0.01 -0.00 -0.01 0.02 0.03 -0.00 -0.01 0.02 0.06 -0.00 -0.02 0.02 0.05 0.21 -0.14 -0.02 0.17 -0.25 -0.01 0.00 -0.02 0.14 -0.03 0.14 0.18 0.04 0.12 -0.00 -0.02 0.00 0.03 0.06 -0.01 0.02 0.22 0.18 -0.01 0.00 0.00 -0.02 0.07 0.03 0.10 -0.26 -0.11 -0.01 -0.01 0.00 0.01 -0.01 -0.12 0.01 0.00 0.05 -0.00 -0.01 -0.01 0.08 0.01 0.01 -0.04 -0.08 0.13 -0.06 0.13 -0.05 0.07 0.25 0.19 -0.01 0.01 -0.00 0.03 -0.06 0.07 -0.01 -0.02 0.05 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.01 0.01 -0.01 0.02 0.05 0.03 -0.06 0.04 -0.00 0.02 -0.00 0.01 -0.01 0.06 -0.27 0.36 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.03 0.01 0.10 0.06 0.02 -0.01 -0.00 0.01 0.19 -0.12 -0.09 0.01 0.05 -0.05 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.03 -0.01 0.05 -0.20 0.18 0.02 -0.30 0.18 -0.01 0.01 0.00 0.09 0.03 -0.01 0.06 -0.07 0.03 -0.01 0.01 -0.03 -0.05 -0.01 0.24 0.29 0.17 0.10 -0.01 0.01 0.00 0.03 -0.03 -0.01 0.08 -0.20 -0.09 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.09 -0.25 0.33 0.02 -0.11 -0.06 -0.05 0.13 -0.12 0.07 -0.04 -0.05 -0.01 0.02 -0.00 -0.08 0.09 0.05 0.01 0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.26 -0.12 0.18 -0.04 -0.02 0.04 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.17 -0.13 0.24 -0.00 -0.00 0.01 -0.01 0.05 -0.09 -0.01 -0.01 -0.00 0.15 0.11 0.06 0.04 0.03 0.02 0.00 0.00 -0.01 -0.10 0.09 0.06 -0.00 -0.06 0.04 -0.01 0.00 -0.01 0.05 -0.04 -0.05 0.00 -0.05 0.04 0.00 -0.01 0.00 -0.03 0.09 -0.09 -0.01 0.12 -0.05 -0.00 0.00 -0.00 0.12 -0.02 0.11 -0.06 0.04 -0.03 -0.01 0.01 0.00 0.03 0.09 -0.03 -0.14 -0.27 -0.21 0.01 -0.01 -0.00 -0.03 0.01 -0.00 -0.06 0.18 0.09 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 0.02 -0.01 0.03 -0.27 0.34 -0.02 -0.00 0.04 0.05 -0.18 0.21 0.15 -0.24 -0.24 0.01 -0.00 -0.00 -0.20 0.22 0.14 -0.00 0.00 0.01 0.02 0.00 -0.00 -0.02 0.01 -0.03 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.17 -0.10 0.19 0.02 0.00 0.01 0.00 -0.02 -0.02 0.30 0.12 -0.05 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.02 -0.01 0.20 0.16 0.04 -0.02 0.02 0.03 -0.00 -0.00 0.01 0.11 -0.08 -0.05 -0.01 0.05 -0.03 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.01 0.02 0.03 -0.00 0.01 -0.01 -0.04 -0.18 0.13 0.00 -0.04 0.14 0.01 -0.00 0.01 -0.14 -0.01 -0.07 -0.27 0.02 -0.17 -0.01 -0.01 -0.01 -0.01 0.01 0.10 0.13 0.17 0.12 0.02 -0.01 -0.01 -0.10 -0.04 -0.04 -0.16 0.45 0.25 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.03 0.01 -0.01 -0.01 0.08 0.02 -0.04 0.09 -0.07 -0.10 0.06 0.07 -0.00 0.00 0.00 -0.03 -0.06 0.23 -0.00 0.01 -0.01 -0.03 -0.00 0.01 0.00 -0.01 0.03 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.42 0.26 -0.41 0.01 0.00 0.00 0.00 -0.01 -0.01 0.09 0.09 -0.08 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.04 0.03 0.02 0.11 0.08 0.04 -0.00 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.03 -0.03 0.01 -0.01 0.06 0.02 -0.02 0.01 -0.00 0.19 0.04 0.04 0.30 -0.08 0.18 -0.00 -0.01 0.00 0.01 0.03 0.00 -0.01 0.04 0.03 -0.00 -0.02 0.01 0.07 -0.07 -0.01 -0.17 0.41 0.12 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.03 0.02 -0.03 0.07 -0.19 -0.14 0.02 -0.03 -0.01 0.02 0.06 0.05 -0.00 0.00 0.00 0.08 -0.22 0.28 -0.02 0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.39 0.17 -0.23 -0.06 -0.04 0.07 0.11 0.04 0.02 0.01 0.01 -0.00 -0.03 0.00 -0.02 0.00 -0.01 -0.01 0.02 -0.08 0.15 -0.01 0.00 -0.01 -0.06 -0.04 -0.01 0.18 0.15 0.07 0.01 -0.00 -0.00 -0.18 0.09 0.07 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.09 0.24 0.16 -0.00 0.07 -0.02 0.01 -0.01 -0.00 -0.02 0.06 -0.06 -0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.11 0.03 -0.06 -0.00 -0.01 -0.01 0.14 0.40 0.24 -0.08 -0.03 -0.02 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.11 0.03 0.01 0.04 0.00 0.00 -0.00 0.01 -0.07 0.09 0.01 0.11 -0.07 -0.00 0.00 0.00 -0.05 -0.17 -0.12 0.00 -0.01 0.01 0.16 -0.39 0.40 0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.24 -0.11 0.15 -0.03 -0.02 0.03 -0.06 -0.02 -0.01 0.01 0.02 -0.01 -0.07 -0.07 0.06 -0.00 0.00 0.01 -0.02 0.05 -0.10 -0.02 0.00 -0.01 -0.02 -0.04 0.06 0.36 0.21 0.07 0.00 -0.00 0.00 0.04 -0.03 -0.02 -0.01 0.02 -0.01 -0.01 0.01 -0.00 0.05 -0.11 -0.08 0.00 -0.05 0.02 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.04 0.03 0.01 -0.01 0.01 -0.15 -0.00 -0.08 -0.07 0.01 -0.04 0.00 0.01 0.00 -0.09 -0.24 -0.11 0.03 -0.10 -0.08 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.01 0.03 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.20 0.07 0.00 0.05 0.00 -0.00 0.01 -0.03 0.12 -0.15 -0.00 0.25 -0.05 0.00 -0.00 -0.00 -0.20 -0.02 0.04 -0.01 -0.02 -0.01 -0.06 0.11 -0.06 -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 0.01 -0.01 0.12 0.08 -0.12 0.02 0.00 0.01 -0.00 -0.00 -0.01 0.10 -0.13 0.20 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 0.02 0.02 -0.00 -0.04 -0.02 -0.00 0.01 -0.01 0.00 -0.27 0.10 0.09 -0.01 0.04 -0.02 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.04 0.04 -0.06 0.02 -0.12 0.15 0.01 -0.01 -0.01 -0.32 -0.03 -0.14 0.31 0.06 0.19 -0.00 0.01 -0.01 -0.00 0.05 0.14 0.05 -0.09 -0.09 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 0.05 0.01 0.00 0.00 0.00 0.01 -0.02 -0.05 -0.02 0.00 -0.00 0.01 -0.01 0.00 0.04 0.06 -0.05 -0.19 0.39 0.45 -0.05 0.11 -0.01 0.05 0.09 0.06 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.05 0.02 -0.02 0.04 0.02 -0.04 0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.03 0.05 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.01 0.62 -0.27 -0.23 -0.05 0.00 0.04 0.00 -0.00 -0.00 -0.03 0.12 0.07 0.00 0.00 -0.00 -0.02 0.00 0.01 0.10 -0.11 0.14 -0.04 0.25 -0.31 0.01 -0.00 -0.00 -0.18 0.01 -0.13 0.11 -0.04 0.06 0.00 -0.01 0.01 0.07 0.14 0.00 -0.11 -0.09 -0.06 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 0.03 -0.02 0.04 -0.08 0.19 0.18 0.00 -0.09 0.17 0.04 -0.04 -0.04 0.01 -0.01 0.00 -0.04 0.07 -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 0.07 -0.04 0.07 -0.03 -0.02 0.03 0.03 0.01 0.01 -0.00 0.00 -0.02 0.13 -0.27 0.38 0.00 -0.01 -0.01 0.02 -0.06 0.11 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.05 0.00 0.02 -0.00 0.00 -0.00 0.03 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.07 0.32 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 -0.00 0.02 -0.03 -0.00 0.01 0.00 0.10 0.01 0.05 -0.08 -0.02 -0.05 -0.00 0.02 -0.01 0.01 0.07 0.15 -0.03 -0.30 -0.24 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.05 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.08 0.21 -0.28 0.08 -0.19 -0.18 0.04 -0.06 0.00 -0.14 0.28 0.26 -0.00 0.00 -0.00 0.02 -0.03 -0.01 -0.04 0.06 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.30 -0.14 0.22 0.01 0.00 -0.01 -0.04 0.01 -0.02 0.00 -0.00 0.01 -0.07 0.12 -0.17 0.00 -0.01 -0.02 0.05 -0.12 0.23 0.01 -0.00 -0.00 -0.05 -0.02 -0.05 -0.05 0.03 0.04 0.00 -0.00 -0.00 -0.06 0.03 0.02 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.13 0.64 0.33 0.01 -0.07 -0.01 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.01 -0.05 0.06 0.00 -0.00 -0.00 -0.03 -0.00 -0.01 0.03 0.01 0.02 -0.00 -0.00 0.00 -0.06 -0.19 -0.15 0.06 0.14 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.04 -0.07 0.10 -0.03 0.05 0.06 -0.02 0.04 -0.01 0.06 -0.10 -0.10 0.01 0.00 0.00 -0.01 0.00 0.01 -0.06 0.07 0.04 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.06 0.02 0.10 -0.00 -0.01 -0.01 -0.05 -0.08 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.09 -0.04 -0.01 0.00 0.00 -0.01 0.00 -0.05 0.09 -0.05 0.04 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.12 -0.05 0.03 0.01 -0.05 0.09 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 0.04 -0.05 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.04 0.01 -0.14 0.69 -0.18 -0.60 0.01 -0.08 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.03 0.03 -0.00 0.00 0.01 -0.08 -0.03 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.02 -0.01 -0.03 0.30 -0.14 0.25 0.00 0.00 -0.00 -0.04 0.01 0.06 0.05 0.37 0.31 -0.03 -0.05 0.01 -0.00 -0.00 -0.00 0.04 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.04 0.05 0.04 0.00 0.04 -0.04 0.00 0.00 -0.00 -0.04 -0.01 0.01 0.00 -0.01 0.03 -0.01 -0.00 -0.00 0.08 0.02 0.01 -0.00 0.05 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.04 0.06 -0.07 0.02 0.01 -0.03 0.00 -0.04 0.44 0.13 0.11 0.06 -0.16 0.53 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 0.02 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.05 0.02 -0.04 0.03 0.02 -0.03 -0.30 0.11 0.45 -0.01 -0.06 -0.05 -0.24 -0.39 0.07 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 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.01 0.02 0.01 -0.02 -0.33 -0.11 0.08 0.03 -0.12 0.25 -0.00 -0.00 -0.00 0.04 0.01 0.01 0.00 0.03 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.02 0.00 -0.02 -0.08 -0.15 0.24 -0.29 0.07 0.04 0.00 -0.00 0.01 -0.06 -0.02 -0.01 -0.01 0.02 -0.08 -0.01 0.01 -0.00 0.04 -0.17 0.05 0.15 -0.00 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.02 0.03 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.05 0.03 -0.05 -0.00 -0.00 0.00 0.04 -0.02 -0.05 -0.01 -0.07 -0.06 0.03 0.05 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.06 0.00 0.37 0.52 0.35 0.04 0.42 -0.38 -0.00 -0.00 0.00 0.07 0.02 -0.02 -0.01 0.02 -0.05 -0.01 -0.01 -0.01 0.11 0.04 0.01 -0.00 0.09 0.07 -0.00 -0.01 0.01 0.08 0.06 -0.12 -0.01 0.17 0.03 0.01 0.00 -0.00 -0.02 -0.05 0.07 -0.09 0.02 0.01 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.00 0.00 -0.04 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.07 -0.02 -0.00 0.01 0.03 -0.04 -0.03 0.02 0.04 0.05 0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.03 -0.03 -0.02 0.02 0.02 -0.00 -0.00 -0.00 0.03 -0.01 0.02 0.01 0.00 -0.01 -0.10 0.04 0.11 0.00 0.03 0.03 -0.08 -0.10 0.01 -0.00 0.00 0.00 0.05 0.01 0.01 0.01 0.00 -0.00 -0.04 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.02 0.02 -0.00 -0.01 0.00 0.08 0.11 0.07 0.01 0.09 -0.08 0.02 0.01 -0.02 -0.32 -0.12 0.08 0.03 -0.12 0.25 0.01 0.00 0.01 -0.10 -0.02 -0.02 -0.00 -0.05 -0.07 -0.00 -0.00 0.00 0.02 0.01 -0.03 -0.00 0.04 0.01 -0.04 -0.01 0.03 0.16 0.31 -0.47 0.56 -0.13 -0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.04 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.01 0.04 -0.04 -0.04 -0.00 -0.00 -0.00 0.04 -0.02 0.03 0.03 0.01 -0.02 -0.27 0.09 0.39 0.01 0.04 0.04 -0.21 -0.32 0.05 -0.00 0.00 0.00 0.02 0.01 0.00 -0.01 -0.00 0.00 0.08 0.03 0.01 -0.00 -0.00 0.01 -0.00 0.04 -0.06 0.05 -0.04 -0.05 -0.00 -0.00 0.00 0.02 0.02 0.01 0.00 0.02 -0.02 -0.02 -0.02 0.03 0.51 0.20 -0.12 -0.05 0.21 -0.39 0.00 0.00 0.00 -0.05 -0.01 -0.01 -0.00 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.05 0.10 -0.13 0.15 -0.04 -0.02 0.00 -0.00 0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.04 0.00 -0.00 0.00 -0.01 0.06 -0.01 -0.05 -0.00 -0.01 -0.00 0.00 0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.05 -0.05 0.00 -0.00 -0.00 0.03 0.02 0.04 -0.34 0.15 -0.28 0.00 0.00 -0.00 -0.03 0.01 0.04 -0.07 -0.42 -0.38 -0.02 -0.03 0.01 -0.01 0.00 0.00 0.09 0.03 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.03 -0.04 -0.03 -0.00 -0.03 0.03 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 0.02 -0.03 -0.00 -0.00 -0.01 0.09 0.02 0.01 -0.00 0.05 0.08 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.02 0.03 -0.05 0.06 -0.01 -0.01 -0.03 0.00 -0.03 0.38 0.11 0.09 0.06 -0.15 0.45 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.02 -0.02 0.00 -0.00 -0.01 0.03 0.01 0.00 -0.04 -0.04 0.02 0.03 -0.01 -0.06 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.07 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.04 -0.06 -0.04 -0.01 -0.05 0.04 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.04 0.04 -0.08 -0.04 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.03 0.06 -0.00 -0.05 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.10 0.47 -0.51 0.00 0.00 -0.00 0.64 0.19 0.08 0.00 0.00 -0.00 -0.14 0.16 0.14 0.07 -0.08 -0.04 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.01 -0.25 -0.09 -0.02 -0.01 0.00 0.00 0.12 0.04 0.02 0.00 -0.00 -0.01 0.01 -0.02 0.05 -0.03 0.02 0.03 0.00 0.01 0.00 -0.04 -0.09 -0.06 -0.01 -0.06 0.06 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.14 -0.04 -0.02 0.01 -0.09 -0.11 -0.01 -0.05 0.02 0.29 0.25 -0.44 -0.04 0.59 0.12 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.05 0.01 0.01 0.01 -0.02 0.07 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.13 0.04 0.01 -0.01 -0.05 0.06 0.07 -0.08 -0.08 -0.06 -0.02 -0.01 0.01 0.01 -0.00 0.32 -0.38 -0.32 0.04 -0.06 -0.02 -0.00 -0.00 -0.00 0.03 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.03 0.03 0.00 0.01 -0.00 -0.05 0.01 0.02 0.56 0.21 0.04 -0.01 0.00 0.00 0.08 0.03 0.02 -0.00 0.00 0.01 -0.02 0.01 -0.04 0.03 -0.02 -0.03 0.00 0.01 0.00 -0.05 -0.08 -0.05 -0.01 -0.06 0.05 0.00 0.00 -0.00 -0.04 -0.01 0.01 0.00 -0.01 0.03 -0.01 -0.01 -0.01 0.17 0.04 0.03 -0.01 0.10 0.14 -0.01 -0.02 0.01 0.13 0.11 -0.19 -0.02 0.26 0.05 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.02 0.01 0.01 0.01 -0.00 0.01 -0.08 -0.02 -0.02 -0.03 0.03 -0.11 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.07 0.02 0.01 -0.02 -0.07 0.08 0.04 -0.04 -0.04 -0.10 -0.03 -0.01 -0.00 -0.00 0.00 -0.03 0.04 0.03 0.28 -0.35 -0.17 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.06 -0.02 -0.00 -0.05 0.01 0.00 0.50 0.18 0.10 0.01 0.00 -0.01 0.01 -0.08 0.14 -0.10 0.08 0.10 -0.00 -0.00 0.00 0.03 0.06 0.04 0.01 0.05 -0.05 0.00 0.00 -0.00 -0.07 -0.02 0.02 0.01 -0.03 0.05 -0.01 -0.01 -0.01 0.15 0.04 0.03 -0.01 0.09 0.12 0.00 0.01 -0.01 -0.09 -0.08 0.13 0.01 -0.17 -0.03 -0.00 -0.00 0.00 0.01 0.01 -0.03 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.03 0.00 -0.00 0.00 -0.02 0.06 0.00 -0.04 -0.00 -0.01 -0.03 0.01 0.01 0.36 0.11 0.04 0.00 0.05 -0.02 0.19 -0.24 -0.21 0.04 0.01 0.00 -0.00 -0.00 0.00 -0.11 0.13 0.12 -0.09 0.11 0.05 -0.00 -0.00 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.02 0.02 -0.01 -0.01 0.00 0.02 -0.00 -0.01 -0.22 -0.08 -0.01 0.01 -0.00 -0.00 -0.15 -0.05 -0.03 -0.00 -0.00 0.00 0.01 0.03 -0.04 0.03 -0.02 -0.03 0.00 0.01 0.00 -0.07 -0.09 -0.06 -0.01 -0.07 0.06 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.03 -0.03 -0.04 0.59 0.14 0.11 -0.03 0.36 0.48 -0.00 -0.01 0.00 0.04 0.04 -0.06 -0.01 0.08 0.02 -0.01 -0.00 0.01 0.04 0.07 -0.12 0.13 -0.03 -0.01 0.00 -0.00 0.01 -0.07 -0.01 -0.01 0.00 0.00 -0.10 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.03 -0.04 -0.04 0.05 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 0.05 0.02 0.00 0.01 -0.00 0.00 -0.07 -0.02 -0.02 0.02 0.00 -0.06 0.02 -0.34 0.58 -0.42 0.32 0.39 0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.02 0.02 -0.01 -0.00 0.00 0.12 0.01 -0.04 -0.01 0.04 -0.08 -0.00 -0.00 -0.00 0.04 0.01 0.01 -0.00 0.02 0.03 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.09 0.03 0.08 -0.00 0.02 0.01 -0.00 -0.00 -0.15 -0.05 -0.02 -0.00 -0.01 0.00 -0.08 0.10 0.08 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.02 -0.24 0.29 0.15 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.01 0.00 0.04 -0.01 -0.00 -0.40 -0.14 -0.08 0.00 0.00 -0.01 0.00 -0.04 0.06 -0.05 0.04 0.04 -0.00 -0.00 0.00 0.03 0.05 0.03 0.01 0.04 -0.04 -0.00 -0.00 0.00 0.05 0.01 -0.02 -0.00 0.02 -0.03 0.00 0.00 0.00 -0.05 -0.01 -0.01 0.00 -0.03 -0.05 0.00 0.00 -0.00 -0.02 -0.02 0.02 0.00 -0.03 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.03 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.02 -0.07 0.00 0.05 0.00 0.01 -0.05 0.01 0.01 0.55 0.16 0.06 -0.01 0.02 0.03 0.26 -0.34 -0.29 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.05 0.03 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.09 -0.20 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.04 -0.10 -0.06 0.00 -0.00 -0.00 -0.05 0.05 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.00 0.00 0.00 -0.02 0.02 -0.05 0.35 -0.36 0.81 -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -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 0.04 -0.05 0.06 -0.53 0.79 -0.04 -0.03 -0.06 -0.00 0.00 -0.00 0.02 -0.02 0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.04 0.07 0.09 0.13 0.01 -0.01 -0.00 0.01 0.00 0.03 -0.11 -0.05 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.04 -0.01 0.00 0.00 0.02 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.02 -0.13 -0.01 -0.04 -0.06 -0.04 -0.02 0.00 -0.01 0.01 -0.05 -0.01 -0.01 -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.05 0.03 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.06 0.04 -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 -0.02 0.02 -0.00 0.01 -0.01 0.01 -0.09 0.13 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.03 0.11 0.05 0.11 0.04 -0.18 0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.18 0.04 0.02 -0.00 -0.02 0.00 -0.00 0.01 0.01 0.05 -0.14 -0.12 0.84 0.07 0.28 -0.01 -0.00 -0.00 -0.04 0.11 -0.15 0.01 -0.01 0.01 -0.36 -0.25 -0.11 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.07 -0.16 -0.01 -0.06 0.04 -0.03 -0.01 0.01 0.02 0.03 -0.01 -0.02 -0.17 0.47 0.38 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.02 0.02 0.01 0.01 -0.03 0.04 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 0.03 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.02 -0.02 -0.00 0.03 0.02 -0.00 -0.01 -0.39 0.17 -0.04 0.00 -0.13 0.16 0.01 0.01 0.00 0.01 0.01 -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.05 -0.04 -0.15 -0.01 -0.05 0.02 0.01 0.01 -0.02 0.12 -0.15 -0.00 0.00 -0.01 0.50 0.33 0.14 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.03 -0.00 -0.18 -0.41 -0.04 0.08 -0.06 0.05 -0.02 0.03 0.04 -0.03 -0.02 -0.01 -0.03 0.04 0.04 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 0.10 -0.10 -0.06 -0.03 0.07 -0.07 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.04 -0.08 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.02 0.02 -0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.03 -0.01 -0.00 -0.46 0.19 -0.05 0.01 -0.09 0.11 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.21 0.09 -0.00 0.00 0.00 0.00 -0.04 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.05 0.00 0.02 0.01 0.01 0.00 0.01 -0.05 0.07 0.00 -0.01 0.01 0.06 0.03 0.01 0.01 0.01 0.00 -0.03 0.02 -0.02 -0.01 0.06 0.03 -0.01 -0.02 -0.00 0.14 0.32 0.03 0.45 -0.33 0.27 0.01 -0.02 -0.03 0.00 -0.01 -0.01 -0.07 0.19 0.15 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 0.06 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 0.01 -0.02 0.02 -0.05 -0.03 -0.18 -0.06 0.28 -0.00 0.01 -0.01 0.06 -0.03 0.01 -0.00 -0.08 0.10 -0.02 -0.01 -0.00 -0.01 -0.02 0.04 0.34 0.13 -0.01 -0.00 -0.00 -0.00 0.04 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.05 -0.15 -0.12 0.01 0.00 0.01 0.03 0.02 0.01 -0.04 0.19 -0.23 0.00 0.00 -0.00 0.38 0.25 0.11 0.01 0.00 0.00 0.02 -0.01 0.01 0.01 -0.04 -0.02 -0.01 -0.03 -0.00 0.22 0.51 0.05 -0.27 0.20 -0.16 0.02 -0.03 -0.04 -0.02 -0.04 -0.02 -0.13 0.30 0.25 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.02 0.07 -0.08 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.05 -0.05 0.11 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.05 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 0.11 0.03 -0.16 -0.00 0.01 -0.01 0.04 -0.02 0.00 -0.00 -0.10 0.13 0.01 0.00 0.00 0.00 0.01 -0.02 -0.13 -0.05 0.00 0.01 0.00 0.00 -0.12 -0.03 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.06 -0.05 -0.05 -0.01 -0.02 0.04 0.02 0.01 0.01 -0.06 0.08 -0.00 0.00 -0.00 0.09 0.05 0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.04 0.08 0.01 0.09 -0.07 0.06 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.07 0.18 0.15 -0.00 0.01 0.01 0.07 -0.17 -0.08 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.03 0.03 0.00 -0.00 0.00 -0.00 0.01 -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 -0.01 0.00 0.00 0.01 -0.02 -0.02 0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.03 -0.01 0.04 0.00 -0.01 0.01 -0.05 0.02 -0.00 0.00 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.02 0.00 -0.03 -0.01 -0.00 0.53 0.14 0.04 -0.01 -0.06 0.01 0.02 -0.03 -0.02 -0.17 0.50 0.42 0.05 0.01 0.01 -0.09 -0.07 -0.04 0.02 -0.06 0.07 0.00 -0.01 0.01 0.14 0.09 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.00 -0.20 -0.45 -0.04 -0.04 0.03 -0.02 -0.00 0.02 0.02 -0.00 -0.02 -0.02 -0.11 0.29 0.24 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.00 0.01 0.09 -0.08 -0.05 -0.01 0.04 -0.04 0.00 -0.00 0.00 -0.01 0.04 -0.06 0.00 0.00 0.01 0.00 -0.00 0.00 -0.03 0.02 -0.05 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.01 0.01 0.01 0.27 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.04 0.01 0.00 0.58 -0.24 0.07 -0.01 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.05 -0.04 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.11 -0.13 0.02 -0.02 0.03 -0.02 -0.02 -0.01 0.01 0.01 0.00 0.02 -0.01 0.01 0.01 -0.04 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.29 0.22 -0.18 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.03 -0.07 -0.05 -0.00 0.01 0.00 0.04 -0.11 -0.05 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.04 0.04 0.00 -0.00 0.00 -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.06 0.10 0.14 -0.03 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.03 -0.01 0.14 0.04 -0.21 0.00 -0.00 -0.00 -0.04 0.02 -0.00 0.00 -0.01 0.02 -0.03 -0.01 -0.00 -0.02 -0.02 0.04 0.50 0.21 -0.02 -0.02 -0.00 -0.00 0.32 0.09 0.02 -0.01 -0.04 0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.23 -0.02 -0.07 0.02 0.01 0.01 -0.05 0.30 -0.37 0.00 -0.00 0.00 0.13 0.09 0.04 0.02 0.02 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.21 0.16 -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 0.05 -0.14 -0.11 -0.01 0.01 0.01 0.07 -0.17 -0.09 -0.00 0.00 0.00 0.03 -0.03 -0.02 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 -0.04 -0.08 -0.00 0.00 0.02 0.02 -0.03 0.06 -0.21 -0.11 -0.33 -0.10 0.51 -0.00 0.01 -0.01 0.03 -0.01 0.00 -0.00 -0.10 0.13 0.02 0.01 0.00 0.01 0.02 -0.04 -0.30 -0.12 0.01 -0.02 -0.00 -0.00 0.36 0.10 0.03 -0.01 -0.05 0.01 -0.01 0.01 0.01 0.06 -0.18 -0.15 0.02 0.01 0.01 0.09 0.06 0.03 -0.01 0.06 -0.07 -0.01 -0.01 0.00 -0.02 -0.01 -0.01 -0.02 -0.02 -0.01 0.02 -0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.03 0.08 0.01 -0.25 0.19 -0.15 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.05 0.04 0.01 -0.02 -0.01 -0.11 0.27 0.14 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.00 0.01 -0.02 0.00 -0.00 0.00 -0.01 0.04 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.05 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.05 0.08 0.11 0.10 0.00 -0.01 0.02 0.01 -0.02 0.02 -0.07 -0.04 -0.26 -0.08 0.41 0.01 -0.02 0.02 -0.15 0.06 -0.01 0.01 0.22 -0.29 -0.01 -0.00 -0.00 -0.01 -0.01 0.02 0.19 0.08 -0.01 0.02 0.00 0.00 -0.32 -0.09 -0.02 0.01 0.05 -0.01 0.01 -0.01 -0.01 -0.06 0.18 0.15 0.21 0.01 0.07 -0.13 -0.08 -0.04 -0.02 0.09 -0.11 -0.01 0.02 -0.02 -0.14 -0.10 -0.05 -0.03 -0.03 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.04 -0.08 -0.01 -0.10 0.07 -0.06 0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 0.09 0.07 0.01 -0.01 -0.00 -0.06 0.15 0.07 0.00 0.00 -0.01 -0.05 0.05 0.03 0.03 -0.08 0.08 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 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.06 0.11 0.15 -0.03 -0.01 -0.00 0.00 0.01 -0.00 0.02 -0.09 -0.05 -0.08 -0.02 0.12 -0.01 0.03 -0.03 0.21 -0.08 0.02 -0.01 -0.34 0.45 -0.02 -0.01 -0.00 -0.01 -0.02 0.04 0.33 0.13 -0.01 -0.00 -0.00 -0.00 0.06 0.02 0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.01 -0.06 0.16 0.13 0.12 0.02 0.03 0.17 0.10 0.05 0.06 -0.28 0.35 0.01 -0.01 0.01 0.14 0.10 0.04 -0.06 -0.06 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.06 -0.04 0.03 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.06 -0.05 0.02 -0.04 -0.02 -0.28 0.67 0.34 -0.00 0.01 -0.01 -0.02 0.02 0.01 0.04 -0.14 0.14 0.00 0.00 -0.00 0.00 -0.02 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.04 0.09 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.05 -0.09 -0.12 -0.13 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.07 -0.03 0.06 0.02 -0.09 -0.00 0.01 -0.01 0.04 -0.02 0.00 -0.00 -0.06 0.09 0.01 0.00 0.00 0.01 0.01 -0.02 -0.18 -0.07 0.01 -0.02 -0.00 -0.00 0.24 0.07 0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.06 0.05 -0.06 -0.01 -0.02 0.03 0.01 0.01 -0.03 0.16 -0.20 0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.05 0.04 0.00 -0.01 -0.01 -0.07 0.17 0.09 0.00 0.00 -0.01 -0.08 0.08 0.04 0.05 -0.15 0.16 -0.00 -0.00 0.00 -0.00 0.03 -0.05 0.00 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.08 0.14 0.18 0.37 0.02 -0.02 0.01 -0.02 -0.01 -0.06 0.25 0.12 -0.03 -0.02 0.05 0.01 -0.01 0.01 -0.14 0.06 -0.01 0.00 0.16 -0.22 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.06 0.02 -0.00 -0.02 -0.00 -0.00 0.33 0.09 0.02 -0.01 -0.04 0.01 -0.00 0.02 0.02 0.12 -0.34 -0.28 -0.12 -0.00 -0.04 -0.04 -0.01 -0.00 0.05 -0.24 0.30 0.01 -0.00 0.01 0.01 0.01 0.01 -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.06 0.05 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.01 0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.05 0.08 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.02 -0.16 -0.01 0.01 0.02 -0.05 -0.03 -0.18 0.76 0.34 -0.12 -0.06 0.18 -0.01 0.01 -0.01 0.09 -0.04 0.01 -0.00 -0.16 0.21 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.01 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 -0.02 0.07 0.06 -0.09 -0.01 -0.03 -0.20 -0.11 -0.07 -0.02 0.08 -0.10 0.00 -0.01 0.01 0.02 0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.09 -0.06 0.05 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.06 -0.06 -0.03 -0.02 0.07 -0.07 0.00 -0.00 0.00 -0.01 0.05 -0.08 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.03 -0.02 -0.02 -0.15 0.25 0.33 0.63 0.03 -0.03 -0.00 -0.00 0.00 -0.01 0.04 0.02 0.02 0.00 -0.02 0.01 0.01 -0.01 -0.11 0.06 -0.02 0.01 -0.18 0.23 0.01 0.01 0.00 0.01 0.01 -0.01 -0.23 -0.10 0.01 0.00 0.00 0.00 -0.08 -0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.06 0.15 0.12 0.01 -0.00 0.01 0.15 0.08 0.04 -0.03 0.15 -0.19 0.00 0.00 -0.00 -0.18 -0.12 -0.05 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.04 0.09 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.06 0.14 0.07 -0.03 0.02 0.04 0.54 -0.54 -0.30 -0.10 0.27 -0.27 -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 -0.04 0.09 0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.04 0.05 -0.08 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.04 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.02 -0.00 -0.01 -0.00 -0.00 0.16 0.04 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 -0.05 -0.05 -0.02 0.00 -0.01 0.02 0.01 0.01 0.02 -0.07 0.09 0.00 -0.00 -0.00 0.04 0.02 0.01 -0.05 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.09 -0.07 0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.03 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.03 0.02 0.01 -0.02 0.02 0.00 -0.00 0.01 -0.01 0.05 -0.08 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 -0.02 -0.03 -0.20 0.38 0.50 -0.36 -0.03 -0.00 -0.00 0.01 0.01 0.04 -0.17 -0.08 0.03 0.01 -0.05 -0.01 0.00 -0.00 0.09 -0.04 0.01 -0.00 -0.03 0.04 0.01 0.00 -0.00 0.00 0.00 0.01 -0.17 -0.07 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 0.01 0.03 -0.05 -0.04 -0.00 0.00 -0.00 -0.46 -0.26 -0.14 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.03 0.01 0.08 0.06 0.03 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.03 0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.06 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.04 0.03 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.04 0.06 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.03 -0.01 -0.02 -0.12 0.24 0.31 -0.40 -0.03 0.00 0.00 -0.01 -0.01 -0.04 0.18 0.08 -0.01 -0.01 0.02 -0.00 -0.01 0.01 0.03 -0.02 0.01 -0.01 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.01 -0.03 0.04 0.03 -0.00 -0.00 -0.00 0.59 0.33 0.18 -0.01 0.03 -0.04 -0.00 -0.00 0.00 0.04 0.03 0.01 0.03 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.05 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.06 -0.14 -0.07 -0.03 0.05 -0.03 0.31 -0.30 -0.20 0.17 -0.54 0.60 0.00 -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 0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.19 -0.05 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.03 0.02 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.78 0.53 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.04 -0.02 -0.06 0.07 0.03 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 -0.02 0.02 -0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.04 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 0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 0.04 0.03 0.00 0.00 0.00 -0.09 -0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.06 0.07 0.12 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 -0.01 -0.00 -0.00 -0.03 0.05 0.96 0.20 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 -0.27 -0.16 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.05 -0.14 -0.37 0.86 -0.08 -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 0.01 0.00 0.02 -0.03 -0.05 0.04 0.06 -0.01 -0.00 0.00 -0.00 -0.40 0.43 0.79 0.00 -0.00 -0.00 -0.00 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 0.00 0.00 0.00 0.00 -0.00 -0.15 -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 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.05 -0.03 -0.07 0.81 0.47 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.05 -0.12 0.29 -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 0.01 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 -0.03 -0.03 -0.05 -0.01 -0.05 0.04 0.50 0.53 0.68 0.00 0.00 0.00 -0.00 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 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -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 0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 0.10 0.00 0.01 0.07 0.97 -0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 252.14791 4248.36622 7776.05183 8427.81954 0.99999 1.6E-4 -0.00447 -8.0E-5 0.99982 0.01908 0.00448 -0.01908 0.99981 asymmetric 1 0.02039 0.01114 0.01028 0.42481 0.23209 0.21414 908265.1 31.90 44.41 47.93 64.09 67.88 69.66 80.54 87.08 88.64 95.42 101.01 110.23 119.48 134.95 163.04 205.73 219.23 224.27 234.67 248.80 252.40 264.75 276.83 286.99 291.37 296.76 303.00 304.53 319.95 325.77 336.64 342.59 354.32 368.25 387.97 392.85 393.17 408.20 410.94 417.04 429.82 440.51 555.19 565.94 569.97 572.51 610.04 626.46 677.01 711.72 747.92 767.18 782.73 796.52 800.13 843.24 850.93 859.82 911.22 924.42 937.23 941.69 957.21 983.92 995.89 1007.51 1015.55 1036.92 1058.71 1070.62 1115.13 1156.12 1172.88 1182.47 1223.04 1249.39 1281.95 1295.26 2293.21 2294.83 2298.20 2308.06 2313.07 2327.81 2330.40 2334.60 2359.22 2363.00 2365.62 2375.34 2381.05 2398.23 4722.42 4753.49 4787.02 4840.13 4869.63 4911.11 4920.36 4952.39 4959.57 4969.98 4989.88 5012.28 5035.39 5042.47 5059.78 5066.22 5086.58 5102.52 5119.12 5122.81 5144.05 5298.15 5503.29 5508.67 5512.01 5512.40 5515.32 5520.67 0.345940 0.380988 0.381932 0.279546 -1070.398137 -1070.363089 -1070.362145 -1070.464530 239.074 119.995 215.489 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 33.987 237.296 114.033 139.028 1 0.593 1.985 6.429 2 0.594 1.984 5.773 3 0.594 1.983 5.622 4 0.595 1.980 5.046 5 0.595 1.979 4.932 6 0.595 1.978 4.881 7 0.596 1.975 4.594 8 0.597 1.973 4.440 9 0.597 1.973 4.405 10 0.598 1.970 4.260 11 0.598 1.968 4.148 12 0.599 1.965 3.976 13 0.600 1.961 3.818 14 0.603 1.954 3.579 15 0.607 1.938 3.211 16 0.616 1.910 2.764 17 0.619 1.900 2.642 18 0.620 1.896 2.599 19 0.623 1.888 2.513 20 0.626 1.876 2.403 21 0.627 1.873 2.377 22 0.631 1.862 2.287 23 0.634 1.850 2.204 24 0.638 1.841 2.138 25 0.639 1.836 2.110 26 0.641 1.831 2.077 27 0.643 1.825 2.039 28 0.643 1.823 2.029 29 0.648 1.807 1.940 30 0.650 1.801 1.907 31 0.654 1.789 1.848 32 0.656 1.782 1.817 33 0.661 1.769 1.757 34 0.666 1.753 1.689 35 0.674 1.729 1.598 36 0.676 1.723 1.577 37 0.676 1.723 1.575 38 0.682 1.704 1.511 39 0.683 1.700 1.500 40 0.686 1.693 1.475 41 0.692 1.676 1.424 42 0.697 1.662 1.383 43 0.755 1.500 1.016 44 0.761 1.484 0.987 45 0.763 1.478 0.977 46 0.764 1.475 0.970 47 0.786 1.418 0.878 48 0.796 1.393 0.841 49 0.828 1.315 0.736 50 0.850 1.262 0.672 51 0.875 1.206 0.610 52 0.888 1.177 0.580 53 0.899 1.153 0.557 54 0.909 1.132 0.537 55 0.912 1.126 0.532 56 0.943 1.061 0.474 57 0.949 1.050 0.465 58 0.956 1.037 0.454 0.345807e+31 30.538833 70.318262 0.367877e+16 15.565703 35.841355 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.597302e+07 6.776194 15.602763 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.2842 -1.0048 -0.4235 3.4605 -91.4478 -94.4787 -98.0114 1.2735 -15.2945 10.0352 3.1982 0.1673 -3.3654 1.2735 -15.2945 10.0352 -194.3601 -94.2207 -21.8823 -27.8699 23.0346 -15.6377 88.4210 48.3455 31.5081 19.0418 -3679.8518 -1485.6428 -1174.4117 -77.7926 -71.8758 32.7819 56.2142 -84.9246 12.6802 -865.4512 -822.0288 -461.2788 202.5434 -149.3568 31.2848 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.7440769 6.729E-10 1.272E-5 0.3459399 0.3809881 -1070.3630888 -1070.3621446 -1070.4645305 1.4605331,9.9793046,-11.4398377,5.4141552,-4.3650934,5.2121785 C01 [X(H28O14)] 1.3366776 0.1000482 0.2384332 -1.3126017 0.0432568 -0.1822759 0.0706125 -1.1473096 -0.0366647 -0.2248264 -0.030066 -1.1453686 1.0380304 -0.0435134 -0.0530645 -0.1279516 0.3622187 -0.0260495 -0.0726531 -0.0252042 0.4300959 0.6594776 -0.0057139 0.027666 -0.0534476 0.401558 -0.0313543 0.0078258 -0.0207586 0.3938596 -0.8500991 -0.238075 -0.0364331 -0.2387517 -0.9051623 0.0480968 -0.0128655 0.0207838 -1.0960624 0.3744166 0.0879525 -0.0013083 0.0654437 0.3242058 -0.0219029 -0.025632 0.0260574 0.3905057 -1.0648382 0.1328714 -0.0574189 0.1025502 -0.7624504 -0.1785929 -0.0848572 -0.1951128 -1.0923236 0.6945115 -0.2237332 -0.2407996 -0.2443651 0.4736555 0.1734567 -0.2317106 0.1643997 0.6387203 0.4848364 0.0925476 0.1986949 0.0942663 0.3846505 0.1328832 0.2113819 0.1158981 0.8984142 0.3651291 -0.0782085 0.0241763 -0.0257325 0.3077179 0.0103389 0.0321284 0.0370515 0.4180331 -1.3536073 0.0490169 0.0271445 0.0898241 -1.0895166 -0.0026609 0.0442272 0.0105274 -1.1442164 0.3569321 -0.1651518 -0.0575269 -0.1368563 0.9671467 0.1497648 -0.0457004 0.1375697 0.4498397 -0.8685063 0.1000822 -0.0427283 0.1134213 -1.0202161 0.0375326 -0.0312544 0.0273481 -1.1340633 0.3569335 -0.0689578 -0.0625008 -0.0290579 0.799051 0.2077995 -0.0282122 0.2013974 0.516852 -1.187377 0.0130523 -0.0222897 0.0093026 -0.9082469 -0.0861183 -0.0200492 -0.0984971 -1.0484718 0.429945 0.0759909 0.0534312 0.0708493 0.734942 0.1768356 0.0694696 0.2263135 0.4718313 0.4119467 -0.0316038 0.0310018 -0.0283313 0.3811171 -0.0789812 0.0180122 -0.1301434 0.8122251 -0.8973688 -0.0811382 -0.0482745 -0.0697401 -1.0349659 0.0558777 -0.0815683 0.0637639 -1.1375315 0.3430449 0.0300966 0.0578698 0.0369752 0.5571686 -0.334211 0.0429181 -0.3067129 0.9599867 0.3150272 0.0647686 0.0219022 0.0303817 0.3915363 0.0103048 0.0673111 -0.027867 0.3727303 -0.8330537 0.1504384 -0.0513359 0.176932 -1.0549063 -0.0871316 -0.0606223 -0.0994112 -1.2138806 0.4244678 -0.1102924 0.2549547 -0.0998349 0.470206 -0.1863053 0.2197513 -0.1829538 0.9986633 0.3234702 -0.0306232 0.0033876 -0.0593145 0.3872132 0.0136701 0.0542213 0.0320539 0.3787142 -0.9440686 -0.1244697 -0.0141275 -0.1186881 -1.1035405 0.0927625 -0.0176339 0.0771882 -1.1195407 0.3686471 -0.0150598 -0.0237901 -0.0658402 0.8650468 0.0547175 -0.0256303 0.0677298 0.4008766 0.8149043 0.1700946 0.0594362 0.2240485 0.4239664 0.0426792 0.0610425 0.0261951 0.4213952 -1.153609 -0.0400979 -0.1476821 -0.0131087 -1.2168204 0.0145674 -0.1499481 0.0060195 -0.9385161 0.3943382 -0.0697171 -0.0036859 -0.0937329 0.7483322 0.250885 -0.0049647 0.215447 0.5260597 0.4700067 0.1761654 -0.0415052 0.2115691 0.8196576 -0.2262296 -0.0456643 -0.1909131 0.4689382 -1.1289897 0.0017195 -0.1505691 -0.0091335 -1.1240983 -0.1207193 -0.1990855 -0.1252935 -1.2492585 0.6625279 0.1049551 0.2948936 0.1112545 0.4555024 0.1625481 0.3499408 0.1938063 0.7048888 0.3556027 -0.0541275 -0.0156452 -0.0537946 0.3893673 -0.1056509 -0.0293206 -0.1172979 0.9406815 -1.0553241 -0.107981 -0.0272517 -0.0844238 -1.0245527 -0.1754825 -0.0441537 -0.1703632 -0.8924714 0.3722018 0.0359565 -0.0627332 -0.0000311 0.3832757 0.049353 -0.0202863 0.0505547 0.3470479 0.9391253 0.2079266 -0.0196536 0.2250527 0.458117 0.0342727 -0.0422781 0.0348298 0.3491011 -1.0598996 0.0101423 0.0502064 -0.0105334 -1.0262792 0.0434018 -0.00569 0.0388084 -0.8671422 1.0019755 0.0374719 -0.0370154 0.0420817 0.4142584 -0.0340962 -0.0644352 -0.0338856 0.3169427 0.3959247 -0.0211756 -0.046449 0.0019806 0.4077214 -0.0429147 0.0156672 -0.0431445 0.2966556 -1.1491133 0.0966456 0.0188677 0.1153116 -1.0500877 0.0148499 0.0163306 0.0324173 -1.128184 0.3667851 -0.1011977 -0.0475182 -0.055195 0.9075721 0.1264942 -0.0248092 0.1148138 0.4428036 0.9740026 -0.055442 0.2785736 -0.0813894 0.4345723 -0.000815 0.3505854 0.0151091 0.4897764 0.8441484 0.0175887 0.0078814 -0.0648289 0.3760933 -0.0347358 -0.0221812 -0.0304599 0.421007 0.3200969 -0.0324612 0.0834947 -0.0277748 0.4422827 -0.0924757 0.0552192 -0.1079986 0.9503853 158.5490145|0.8662893|155.9158457|3.375825|2.9700389|156.9725441 -0.000046272 0.000034901 0.000008607 0.000003965 0.000015711 -0.000005467 -0.000019289 0.000002598 -0.000005768 0.000004317 -0.000000055 -0.000011082 0.000005114 -0.000002264 -0.000003180 -0.000005147 -0.000006315 -0.000007012 -0.000008206 -0.000000895 0.000015687 0.000002889 -0.000002570 0.000004223 -0.000001863 -0.000002769 0.000006474 -0.000003395 -0.000036849 -0.000002016 0.000000521 0.000022372 0.000001863 0.000001101 0.000006591 0.000012090 -0.000009049 0.000004782 0.000006465 -0.000002036 0.000008046 0.000007986 -0.000003127 -0.000004316 -0.000003832 0.000006304 -0.000002320 0.000006379 0.000011564 -0.000008226 -0.000019471 0.000005444 -0.000003287 0.000007447 -0.000002696 -0.000001812 0.000008511 0.000019570 0.000037896 -0.000012843 0.000003470 -0.000025169 -0.000001634 -0.000013290 -0.000006232 0.000015446 -0.000002143 -0.000027865 -0.000002595 -0.000006080 0.000009483 0.000007442 -0.000018855 0.000012388 -0.000007859 -0.000000844 -0.000000207 0.000007222 0.000001866 0.000000841 0.000001535 0.000000278 -0.000001251 -0.000005531 -0.000021364 -0.000028800 0.000011476 0.000007350 0.000003671 -0.000004155 0.000016506 0.000002875 -0.000004829 0.000021401 -0.000009233 -0.000013210 -0.000004328 -0.000000377 -0.000007168 -0.000003787 -0.000001442 -0.000005961 0.000012092 0.000013780 -0.000033646 0.000012935 -0.000000403 0.000015455 0.000000249 0.000005941 0.000007436 -0.000006510 -0.000021738 0.000002377 0.000023821 -0.000002246 0.000003429 0.000016528 -0.000009443 -0.000015959 -0.000010916 0.000028688 0.000011508 0.000011911 -0.000004481 0.000004161 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6972;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6973;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF94/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2O CONF94 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1284.3749728010 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0454425614 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.010514 0.000000 3.603816 4.091853 0.000000 4.189407 5.488270 7.380586 0.000000 4.327147 5.598908 7.742615 0.964985 0.000000 6.160090 4.453050 4.119146 8.680092 9.167093 0.000000 5.813974 4.048821 3.646813 8.704885 9.108403 0.983889 0.000000 3.910013 4.726530 6.937390 0.982567 1.546244 7.878014 7.924367 0.000000 6.702642 5.285890 4.229044 9.320112 9.850724 0.964950 1.549092 8.559663 0.000000 2.798064 0.984036 4.246454 4.717856 4.944643 4.531109 4.323424 3.909566 5.345259 0.000000 3.066278 1.566563 3.727487 5.134991 5.511954 3.712808 3.618244 4.331332 4.480417 0.983836 0.000000 4.013969 4.173382 0.972082 7.987817 8.262343 4.262393 3.596863 7.524464 4.390051 4.540266 4.131863 0.000000 3.426574 3.795812 1.536837 7.547952 7.723114 4.872704 4.159847 7.125773 5.142582 4.243274 4.042979 0.980194 0.000000 3.883569 1.800485 4.127396 7.027398 7.007822 4.753073 4.026114 6.352753 5.510310 2.775875 3.129691 3.782702 3.287159 0.000000 4.309676 2.212513 3.709370 7.598354 7.677971 3.959522 3.154370 6.892282 4.669676 3.098645 3.152903 3.295922 3.027840 0.978214 0.000000 3.339238 2.171419 3.684557 6.873278 6.827944 5.190564 4.435400 6.306312 5.852929 3.036965 3.386749 3.302862 2.616998 0.977429 1.537095 0.000000 3.894843 5.551268 4.760576 4.492062 5.289143 6.423409 6.628532 4.353620 6.644031 4.805703 4.359686 5.690439 5.759998 6.911106 6.938419 6.637663 0.000000 4.002336 5.145361 4.935465 4.249076 5.095654 5.959352 6.248365 3.932953 6.258815 4.312585 3.828112 5.840314 5.929691 6.648487 6.669046 6.511261 0.988546 0.000000 4.828921 6.486839 5.470421 5.047798 5.893604 7.013003 7.298390 4.997534 7.143140 5.724304 5.236526 6.425150 6.565787 7.848704 7.837764 7.578397 0.964876 1.562107 0.000000 5.263032 3.571158 3.195535 8.697097 8.938669 2.742116 1.769403 7.983951 3.196655 4.186574 3.787107 2.724214 3.033134 2.833350 1.868944 3.109554 7.053435 6.819537 7.838235 0.000000 4.728279 3.638860 2.276794 8.408175 8.667149 3.099414 2.218113 7.774220 3.405646 4.182189 3.749387 1.738809 2.149875 2.998276 2.171155 2.966178 6.494727 6.385265 7.268568 0.989686 0.000000 6.071182 4.403580 3.811494 9.612577 9.820082 3.316708 2.345901 8.908535 3.618637 5.090017 4.739708 3.170201 3.493382 3.377996 2.431251 3.628366 7.948471 7.749352 8.717102 0.965471 1.559620 0.000000 4.527294 4.599508 5.449954 4.362099 5.183457 5.276305 5.695355 3.716677 5.736420 3.678446 3.161760 6.244298 6.354046 6.270649 6.273566 6.392904 2.733933 1.752747 3.212273 6.491699 6.309104 7.445275 0.000000 4.206831 4.168910 5.707401 3.623108 4.387665 5.626939 5.945665 2.871309 6.210436 3.194435 2.924384 6.427565 6.399064 5.929275 6.070522 6.078497 3.174620 2.265157 3.771874 6.565267 6.432694 7.528530 0.978225 0.000000 4.278673 4.011864 4.700373 4.947979 5.684766 4.311291 4.719662 4.238496 4.785608 3.182865 2.474708 5.456959 5.636524 5.581275 5.478824 5.741030 2.978859 2.114792 3.566937 5.562744 5.405662 6.508471 0.978902 1.543128 0.000000 2.741856 5.277679 5.507394 2.784417 3.223012 7.904587 7.828514 3.078009 8.342905 4.653357 4.779100 6.197602 5.808838 6.523476 6.922508 6.067051 2.805842 3.176953 3.438891 7.682949 7.112375 8.551414 4.282966 4.020097 4.594576 0.000000 3.002159 5.308950 5.186939 3.194538 3.833007 7.392498 7.410577 3.326674 7.765525 4.610255 4.537936 5.979468 5.742106 6.634672 6.908582 6.237417 1.836586 2.284651 2.470891 7.457654 6.881103 8.347639 3.608153 3.538964 3.938514 0.979070 0.000000 3.106985 5.251486 6.134561 1.806679 2.310650 8.127457 8.092940 2.196725 8.643706 4.547073 4.782593 6.802282 6.390476 6.639495 7.108987 6.288221 3.230764 3.344178 3.841426 8.004105 7.534029 8.900323 4.123227 3.679286 4.563786 0.981419 1.559527 0.000000 3.988673 3.208222 3.277241 6.066884 6.641946 2.758833 2.997916 5.341080 3.268882 2.760286 1.782763 3.906850 4.220326 4.369776 4.033562 4.543396 3.820008 3.299039 4.521718 3.805589 3.645190 4.735233 2.777384 3.118204 1.816387 5.249218 4.697132 5.435106 0.000000 4.719796 3.523149 3.344384 7.007322 7.552111 1.780781 2.118802 6.250244 2.314023 3.295670 2.338147 3.822521 4.283962 4.378728 3.846850 4.655629 4.700201 4.209257 5.343095 3.244043 3.227360 4.111600 3.615702 3.983422 2.636994 6.189754 5.645283 6.398985 0.982693 0.000000 3.490826 3.391775 2.465290 6.039674 6.600835 3.217248 3.278680 5.429943 3.562947 3.023191 2.151016 3.226893 3.556620 4.388650 4.067664 4.351427 3.365907 3.090593 4.098971 3.793976 3.382200 4.699665 3.118279 3.493607 2.277610 4.782331 4.222740 5.132743 0.980158 1.583884 0.000000 3.950661 3.637136 6.327511 2.748080 3.201131 6.448029 6.562653 1.770540 7.197960 2.731279 3.064188 6.870444 6.595884 5.403744 5.819032 5.593429 4.447065 3.744464 5.171259 6.811523 6.768931 7.744023 2.829755 1.860072 3.129022 4.070839 4.032767 3.452819 4.144551 4.946859 4.504495 0.000000 4.816969 4.047525 7.088718 3.309499 3.657537 6.755642 6.913002 2.358579 7.552715 3.221568 3.591475 7.583839 7.320579 5.772799 6.196132 6.091384 5.313392 4.542886 5.985818 7.229798 7.305307 8.138287 3.379699 2.434053 3.678914 4.992169 4.968175 4.309334 4.697526 5.398821 5.195856 0.965380 0.000000 3.379929 2.656900 5.618351 3.329466 3.647931 5.778631 5.789836 2.394781 6.568743 1.772151 2.244123 6.077881 5.775738 4.423425 4.845606 4.641302 4.541187 3.896322 5.369185 5.908140 5.889715 6.826927 3.037564 2.188933 3.027836 4.159390 4.151170 3.708051 3.606449 4.348696 3.958365 0.982273 1.554316 0.000000 2.722277 3.420304 3.119271 6.780880 6.742079 6.080088 5.360668 6.439120 6.550323 3.958656 4.188258 2.794594 1.824169 2.825732 3.131659 1.864235 6.128814 6.284138 7.022320 4.071779 3.470986 4.543195 6.669046 6.454226 6.109882 5.321518 5.559685 5.782965 5.020061 5.295309 4.473352 6.156878 6.858190 5.328700 0.000000 1.775992 3.191796 3.155067 5.850143 5.837525 6.170576 5.572085 5.556235 6.668599 3.512198 3.782879 3.132468 2.255924 3.136442 3.537210 2.272487 5.335426 5.508787 6.240759 4.528850 3.919933 5.143893 5.978143 5.726678 5.520595 4.349674 4.626813 4.805649 4.675074 5.122380 4.105158 5.418755 6.180476 4.664628 0.981550 0.000000 3.298272 4.269922 3.856262 7.228927 7.097735 6.999279 6.248677 6.985696 7.438761 4.815634 5.114118 3.466833 2.494766 3.543870 3.913781 2.568690 6.780293 7.018843 7.649081 4.863647 4.255601 5.218355 7.509603 7.267576 6.999122 5.705275 6.051648 6.196860 5.964923 6.249583 5.381137 6.876954 7.582038 6.082993 0.964785 1.560924 0.000000 2.813422 4.187522 1.962532 5.882820 6.389147 4.809616 4.669441 5.540158 4.991090 3.897341 3.355118 2.889144 3.042373 4.949207 4.789284 4.535493 2.815781 3.109372 3.552141 4.671851 3.929613 5.469001 4.008392 4.326976 3.496940 3.857373 3.358448 4.514852 2.800761 3.380310 1.848045 5.183132 6.051677 4.710220 3.875232 3.375187 4.597832 0.000000 1.839362 3.606050 2.233029 5.251174 5.654132 5.174045 4.929414 4.926110 5.504696 3.344858 3.031033 2.978592 2.812303 4.397827 4.418189 3.909503 3.014310 3.264800 3.879153 4.681745 3.976026 5.499545 4.074861 4.168656 3.635986 3.285492 3.005568 3.909089 3.040904 3.709297 2.216177 4.683493 5.575318 4.156592 3.186834 2.538267 3.898695 0.981742 0.000000 0.986231 3.759687 4.240006 3.477580 3.692860 6.767274 6.527617 3.365663 7.278050 3.340422 3.571513 4.778577 4.265633 4.819094 5.247768 4.314271 3.359984 3.554228 4.246331 6.138006 5.588000 6.973822 4.296039 3.965151 4.253330 1.761120 2.136132 2.176845 4.348423 5.190587 3.851379 3.772737 4.697059 3.437898 3.629269 2.656158 4.100313 3.025046 2.148647 0.000000 3.123964 4.687555 2.914776 5.461050 6.074911 5.276915 5.292435 5.182161 5.440064 4.208202 3.653523 3.858080 4.009746 5.690103 5.582780 5.325085 1.874743 2.286299 2.574568 5.503352 4.822557 6.335396 3.478276 3.891500 3.156416 3.410211 2.723574 4.058696 2.979822 3.700565 2.152034 4.956751 5.846922 4.662649 4.693707 4.069314 5.384664 0.978062 1.537320 3.032751 0.000000 0.980888 2.177751 3.743201 4.015903 4.194044 5.591148 5.294696 3.520847 6.229715 1.837069 2.209966 4.142274 3.639895 3.385923 3.825423 3.073183 3.982910 3.845239 4.945820 4.874363 4.498930 5.738800 3.985461 3.570021 3.683679 3.164222 3.308565 3.290282 3.416491 4.149122 3.139140 3.195909 4.006781 2.502299 3.043849 2.247180 3.765829 3.026730 2.160793 1.582525 3.317861 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7406,-1.7971,.2774;-.8725,-.5482,-1.9366;-2.1227,-.3936,1.9566;4.5535,-.8248,-1.1604;4.6094,-1.6514,-1.6552;-3.2706,2.8394,-.3232;-3.6641,1.9397,-.3841;3.8358,-.3139,-1.5955;-3.6755,3.242,.4547;-.0607,-.0289,-1.7377;-.3515,.6944,-1.1375;-2.9082,-.9003,1.6896;-2.5371,-1.7059,1.2723;-2.3883,-1.5174,-2.006;-3.0315,-.8996,-1.604;-2.1905,-2.1458,-1.284;2.3729,1.1474,2.2358;2.3136,1.7015,1.4193;2.8563,1.674,2.8838;-4.0564,.2191,-.5126;-3.6954,-.1612,.3268;-5.0001,.0155,-.5093;1.9918,2.5386,-.0866;2.2647,1.9643,-.83;1.0164,2.4586,-.0694;3.2593,-1.3268,1.2533;3.054,-.449,1.6352;3.7736,-1.1426,.438;-.7075,1.9157,.1114;-1.6134,2.2858,.021;-.7073,1.3198,.8896;2.5268,.7206,-2.1881;2.6492,1.0933,-3.0701;1.6122,.3628,-2.1719;-1.7007,-3.0016,.2981;-.754,-2.752,.3693;-1.7536,-3.944,.4974;-.2243,.0626,2.1551;.0568,-.6542,1.5461;1.6724,-1.6929,.583;.616,.5094,2.3807;.6126,-1.1804,-.4746; 0.4248083 0.2320897 0.2141409 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.77D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 484 483 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74407693491 -1070.74407693 1 1.067085490120e+03 -5.099501144091e+03 1.677328355417e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT182.400S Tue Nov 5 09:47:48 2024 -19.13291 -19.13139 -19.12981 -19.12725 -19.12351 -19.12262 -19.12040 -19.11794 -19.11784 -19.11633 -19.11607 -19.11492 -19.11479 -19.11150 -1.03024 -1.02621 -1.02168 -1.02049 -1.01501 -1.01187 -1.00991 -1.00935 -1.00443 -1.00026 -0.99934 -0.99450 -0.99246 -0.98530 -0.54964 -0.54705 -0.54251 -0.54091 -0.53665 -0.53360 -0.53329 -0.52912 -0.52733 -0.52396 -0.52252 -0.52010 -0.51893 -0.51705 -0.44253 -0.43355 -0.42956 -0.41975 -0.41400 -0.41012 -0.40378 -0.40249 -0.39713 -0.39191 -0.38492 -0.38305 -0.37627 -0.36700 -0.33170 -0.32998 -0.32707 -0.32670 -0.32473 -0.32339 -0.32233 -0.32134 -0.32067 -0.31825 -0.31739 -0.31594 -0.31388 -0.31231 -0.00011 0.02327 0.03859 0.04228 0.05808 0.06618 0.07165 0.07720 0.08988 0.09506 0.10239 0.10706 0.11289 0.11447 0.12275 0.12844 0.13242 0.13869 0.14042 0.14608 0.14840 0.15428 0.15531 0.15892 0.16735 0.17326 0.17644 0.17945 0.18180 0.18857 0.19249 0.19394 0.19953 0.20428 0.21293 0.21542 0.22113 0.22222 0.22693 0.23141 0.23509 0.23720 0.24300 0.24354 0.24906 0.25412 0.25736 0.25805 0.26430 0.26590 0.26642 0.27273 0.27532 0.27778 0.28167 0.28315 0.28670 0.29032 0.29157 0.29252 0.29414 0.30015 0.30295 0.30554 0.31788 0.32836 0.33386 0.33911 0.35113 0.37120 0.40372 0.41056 0.42081 0.44649 0.45184 0.45861 0.46186 0.46699 0.47447 0.48988 0.49785 0.50503 0.50895 0.52638 0.52807 0.53965 0.54438 0.54965 0.55546 0.56569 0.57202 0.57519 0.58349 0.58609 0.59206 0.59730 0.60492 0.61025 0.61248 0.62513 0.63245 0.63535 0.65264 0.65603 0.66301 0.66665 0.67367 0.68351 0.68796 0.69006 0.71675 0.72759 0.93566 0.94872 0.95846 0.96502 0.97225 0.98022 0.98184 0.98904 1.00036 1.00236 1.01193 1.01826 1.02299 1.02467 1.03535 1.03891 1.04339 1.04727 1.05256 1.05722 1.06136 1.06431 1.07241 1.07766 1.08467 1.08819 1.09511 1.10258 1.10574 1.11338 1.12373 1.12808 1.13234 1.13600 1.14267 1.14822 1.15632 1.16512 1.17430 1.19010 1.20943 1.21570 1.23620 1.25091 1.26438 1.27204 1.28332 1.28883 1.28991 1.30275 1.30584 1.32233 1.32626 1.33421 1.33988 1.34570 1.34932 1.36194 1.36961 1.37409 1.37993 1.38958 1.39733 1.40055 1.41280 1.41378 1.42957 1.43413 1.44378 1.45818 1.46335 1.46631 1.47539 1.47928 1.48972 1.50275 1.50827 1.51445 1.53229 1.53965 1.55953 1.57072 1.58362 1.59500 1.59693 1.60672 1.61194 1.62137 1.62945 1.63933 1.64869 1.66113 1.67421 1.68791 1.69261 1.70603 1.71662 1.73051 1.73845 1.74489 1.75830 1.77410 1.77600 1.78710 1.79755 1.79953 1.80553 1.82315 1.83716 1.83887 1.86921 1.88757 2.02244 2.02580 2.04118 2.04448 2.05182 2.05446 2.18270 2.20053 2.23822 2.25070 2.26234 2.27962 2.28524 2.30814 2.32142 2.32890 2.34549 2.35144 2.36814 2.37989 2.40592 2.41620 2.42068 2.43569 2.44100 2.45258 2.45937 2.49638 2.54905 2.55286 2.57776 2.58831 2.59965 2.61532 2.67079 2.68441 2.69056 2.69788 2.71501 2.72255 2.73263 2.74411 2.74731 2.75773 2.76522 2.77355 2.79274 2.80421 2.82238 2.82854 2.84851 2.85450 2.87099 2.89634 2.90196 2.91306 3.07450 3.07816 3.08345 3.08603 3.08860 3.09123 3.09862 3.10381 3.10453 3.11008 3.11310 3.11822 3.12184 3.12668 3.13401 3.14247 3.14532 3.15147 3.15637 3.16246 3.17038 3.17640 3.18487 3.19151 3.19698 3.20671 3.21219 3.23058 3.28617 3.29945 3.30230 3.31554 3.32139 3.32700 3.33213 3.33788 3.35064 3.36052 3.36816 3.37735 3.39368 3.41430 3.69060 3.69237 3.70455 3.70976 3.71520 3.72211 3.73157 3.74173 3.74911 3.75828 3.76996 3.78313 3.81311 3.84489 3.90033 3.90538 3.91659 3.92247 3.92793 3.93326 3.93781 3.93897 3.94380 3.95117 3.98212 3.98732 4.00883 4.03296 5.00650 5.00705 5.01413 5.01836 5.03456 5.04292 5.04685 5.05270 5.06215 5.07312 5.07818 5.09813 5.11871 5.13073 5.36775 5.38082 5.39394 5.41254 5.42107 5.43984 5.44463 5.45452 5.47152 5.48017 5.49478 5.50940 5.54751 5.56970 5.64878 5.65471 5.65999 5.66520 5.67321 5.68001 5.69875 5.72456 5.73404 5.74095 5.76075 5.77396 5.78425 5.80320 49.87571 49.88019 49.90665 49.91240 49.91923 49.92749 49.92828 49.93556 49.94401 49.95293 49.95934 49.96269 49.97820 49.99896 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.875689 0.443651 0.371806 -0.733294 0.314316 -0.744997 0.410846 0.411267 0.320427 -0.863855 0.408489 -0.718069 0.375616 -0.739933 0.369774 0.367158 -0.771542 0.403972 0.351127 -0.744619 0.408500 0.338807 -0.734885 0.375357 0.374383 -0.803703 0.395022 0.411710 -0.890173 0.482073 0.400237 -0.732706 0.342419 0.398847 -0.741414 0.387644 0.367747 -0.790600 0.371015 0.452158 0.409922 0.421193 -0.00000 -3.2842 -1.0048 -0.4235 3.4605 -91.4478 -94.4787 -98.0114 1.2735 -15.2945 10.0352 3.1982 0.1673 -3.3654 1.2735 -15.2945 10.0352 -194.3601 -94.2207 -21.8823 -27.8699 23.0346 -15.6376 88.4210 48.3455 31.5081 19.0417 -3679.8518 -1485.6428 -1174.4118 -77.7926 -71.8758 32.7818 56.2142 -84.9246 12.6802 -865.4512 -822.0288 -461.2788 202.5434 -149.3569 31.2848 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF94 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7440769 RMSD=8.713e-10 Dipole=1.3366777,0.1000483,0.2384329 Quadrupole=1.460533,9.9793045,-11.4398374,5.4141563,-4.3650927,5.2121785 PG=C01 [X(H28O14)] 0 0.1513085748 -0.825672017 -1.7793282678 0 1.1880801285 -1.5820491144 0.9439408892 0 1.8699733959 2.129332752 -0.6384386847 0 -3.5307529813 -2.8134295007 -1.5734825266 0 -3.1512150175 -3.616393886 -1.9508356701 0 1.5796160465 2.0642709082 3.4699461074 0 2.3502836656 1.7342822856 2.9549552503 0 -3.0977150753 -2.7127733316 -0.6972499365 0 1.6795045331 3.0238155458 3.4905359477 0 0.2137624232 -1.4441810017 0.9488040723 0 0.0797665199 -0.5244033379 1.2712744386 0 2.821263411 1.9320972127 -0.6054483635 0 2.9065705229 1.1013599069 -1.1186527636 0 2.980123623 -1.5881316043 0.7699015358 0 3.2231896995 -0.7670570379 1.2428268078 0 3.0339464683 -1.3353838813 -0.1727480505 0 -2.8309732954 1.6060696976 -1.1773047627 0 -2.9638051745 1.1964806207 -0.2874649383 0 -3.5595150549 2.2268314699 -1.2992386596 0 3.5078166609 0.9768554558 1.8516840522 0 3.2921092956 1.3866653186 0.9770386248 0 4.4333815491 1.1923201501 2.0220942069 0 -2.9357361992 0.4259849087 1.2865972002 0 -2.8425420741 -0.5398120641 1.1621968982 0 -2.0410005346 0.7191015713 1.5545134399 0 -2.3726131239 -0.6148446652 -2.8296343075 0 -2.6343377719 0.1655644636 -2.2995022046 0 -2.8385386143 -1.3757657226 -2.4208617705 0 -0.2863913218 1.180959516 1.6399354749 0 0.3472074132 1.5653873152 2.2852669039 0 -0.0787058118 1.5588840977 0.7597364629 0 -2.3735005878 -2.3157105031 0.8688493466 0 -2.5761063146 -2.9204795312 1.5935306948 0 -1.4029777567 -2.1685685087 0.9048372576 0 2.8597714089 -0.5642449076 -1.8610553636 0 1.9036676452 -0.6979689215 -2.0383226365 0 3.3271682472 -0.8071054854 -2.6693675643 0 -0.0318325886 1.8875969819 -1.0582349195 0 0.1085531706 0.9665016118 -1.3675761336 0 -0.7450606623 -0.8253131486 -2.1906352029 0 -0.9998441944 2.0056685876 -1.1331814369 0 0.0440571163 -1.1312435348 -0.8534420865 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6973;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF94/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2O CONF94 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1284.3749728010 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0454425614 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.010514 0.000000 3.603816 4.091853 0.000000 4.189407 5.488270 7.380586 0.000000 4.327147 5.598908 7.742615 0.964985 0.000000 6.160090 4.453050 4.119146 8.680092 9.167093 0.000000 5.813974 4.048821 3.646813 8.704885 9.108403 0.983889 0.000000 3.910013 4.726530 6.937390 0.982567 1.546244 7.878014 7.924367 0.000000 6.702642 5.285890 4.229044 9.320112 9.850724 0.964950 1.549092 8.559663 0.000000 2.798064 0.984036 4.246454 4.717856 4.944643 4.531109 4.323424 3.909566 5.345259 0.000000 3.066278 1.566563 3.727487 5.134991 5.511954 3.712808 3.618244 4.331332 4.480417 0.983836 0.000000 4.013969 4.173382 0.972082 7.987817 8.262343 4.262393 3.596863 7.524464 4.390051 4.540266 4.131863 0.000000 3.426574 3.795812 1.536837 7.547952 7.723114 4.872704 4.159847 7.125773 5.142582 4.243274 4.042979 0.980194 0.000000 3.883569 1.800485 4.127396 7.027398 7.007822 4.753073 4.026114 6.352753 5.510310 2.775875 3.129691 3.782702 3.287159 0.000000 4.309676 2.212513 3.709370 7.598354 7.677971 3.959522 3.154370 6.892282 4.669676 3.098645 3.152903 3.295922 3.027840 0.978214 0.000000 3.339238 2.171419 3.684557 6.873278 6.827944 5.190564 4.435400 6.306312 5.852929 3.036965 3.386749 3.302862 2.616998 0.977429 1.537095 0.000000 3.894843 5.551268 4.760576 4.492062 5.289143 6.423409 6.628532 4.353620 6.644031 4.805703 4.359686 5.690439 5.759998 6.911106 6.938419 6.637663 0.000000 4.002336 5.145361 4.935465 4.249076 5.095654 5.959352 6.248365 3.932953 6.258815 4.312585 3.828112 5.840314 5.929691 6.648487 6.669046 6.511261 0.988546 0.000000 4.828921 6.486839 5.470421 5.047798 5.893604 7.013003 7.298390 4.997534 7.143140 5.724304 5.236526 6.425150 6.565787 7.848704 7.837764 7.578397 0.964876 1.562107 0.000000 5.263032 3.571158 3.195535 8.697097 8.938669 2.742116 1.769403 7.983951 3.196655 4.186574 3.787107 2.724214 3.033134 2.833350 1.868944 3.109554 7.053435 6.819537 7.838235 0.000000 4.728279 3.638860 2.276794 8.408175 8.667149 3.099414 2.218113 7.774220 3.405646 4.182189 3.749387 1.738809 2.149875 2.998276 2.171155 2.966178 6.494727 6.385265 7.268568 0.989686 0.000000 6.071182 4.403580 3.811494 9.612577 9.820082 3.316708 2.345901 8.908535 3.618637 5.090017 4.739708 3.170201 3.493382 3.377996 2.431251 3.628366 7.948471 7.749352 8.717102 0.965471 1.559620 0.000000 4.527294 4.599508 5.449954 4.362099 5.183457 5.276305 5.695355 3.716677 5.736420 3.678446 3.161760 6.244298 6.354046 6.270649 6.273566 6.392904 2.733933 1.752747 3.212273 6.491699 6.309104 7.445275 0.000000 4.206831 4.168910 5.707401 3.623108 4.387665 5.626939 5.945665 2.871309 6.210436 3.194435 2.924384 6.427565 6.399064 5.929275 6.070522 6.078497 3.174620 2.265157 3.771874 6.565267 6.432694 7.528530 0.978225 0.000000 4.278673 4.011864 4.700373 4.947979 5.684766 4.311291 4.719662 4.238496 4.785608 3.182865 2.474708 5.456959 5.636524 5.581275 5.478824 5.741030 2.978859 2.114792 3.566937 5.562744 5.405662 6.508471 0.978902 1.543128 0.000000 2.741856 5.277679 5.507394 2.784417 3.223012 7.904587 7.828514 3.078009 8.342905 4.653357 4.779100 6.197602 5.808838 6.523476 6.922508 6.067051 2.805842 3.176953 3.438891 7.682949 7.112375 8.551414 4.282966 4.020097 4.594576 0.000000 3.002159 5.308950 5.186939 3.194538 3.833007 7.392498 7.410577 3.326674 7.765525 4.610255 4.537936 5.979468 5.742106 6.634672 6.908582 6.237417 1.836586 2.284651 2.470891 7.457654 6.881103 8.347639 3.608153 3.538964 3.938514 0.979070 0.000000 3.106985 5.251486 6.134561 1.806679 2.310650 8.127457 8.092940 2.196725 8.643706 4.547073 4.782593 6.802282 6.390476 6.639495 7.108987 6.288221 3.230764 3.344178 3.841426 8.004105 7.534029 8.900323 4.123227 3.679286 4.563786 0.981419 1.559527 0.000000 3.988673 3.208222 3.277241 6.066884 6.641946 2.758833 2.997916 5.341080 3.268882 2.760286 1.782763 3.906850 4.220326 4.369776 4.033562 4.543396 3.820008 3.299039 4.521718 3.805589 3.645190 4.735233 2.777384 3.118204 1.816387 5.249218 4.697132 5.435106 0.000000 4.719796 3.523149 3.344384 7.007322 7.552111 1.780781 2.118802 6.250244 2.314023 3.295670 2.338147 3.822521 4.283962 4.378728 3.846850 4.655629 4.700201 4.209257 5.343095 3.244043 3.227360 4.111600 3.615702 3.983422 2.636994 6.189754 5.645283 6.398985 0.982693 0.000000 3.490826 3.391775 2.465290 6.039674 6.600835 3.217248 3.278680 5.429943 3.562947 3.023191 2.151016 3.226893 3.556620 4.388650 4.067664 4.351427 3.365907 3.090593 4.098971 3.793976 3.382200 4.699665 3.118279 3.493607 2.277610 4.782331 4.222740 5.132743 0.980158 1.583884 0.000000 3.950661 3.637136 6.327511 2.748080 3.201131 6.448029 6.562653 1.770540 7.197960 2.731279 3.064188 6.870444 6.595884 5.403744 5.819032 5.593429 4.447065 3.744464 5.171259 6.811523 6.768931 7.744023 2.829755 1.860072 3.129022 4.070839 4.032767 3.452819 4.144551 4.946859 4.504495 0.000000 4.816969 4.047525 7.088718 3.309499 3.657537 6.755642 6.913002 2.358579 7.552715 3.221568 3.591475 7.583839 7.320579 5.772799 6.196132 6.091384 5.313392 4.542886 5.985818 7.229798 7.305307 8.138287 3.379699 2.434053 3.678914 4.992169 4.968175 4.309334 4.697526 5.398821 5.195856 0.965380 0.000000 3.379929 2.656900 5.618351 3.329466 3.647931 5.778631 5.789836 2.394781 6.568743 1.772151 2.244123 6.077881 5.775738 4.423425 4.845606 4.641302 4.541187 3.896322 5.369185 5.908140 5.889715 6.826927 3.037564 2.188933 3.027836 4.159390 4.151170 3.708051 3.606449 4.348696 3.958365 0.982273 1.554316 0.000000 2.722277 3.420304 3.119271 6.780880 6.742079 6.080088 5.360668 6.439120 6.550323 3.958656 4.188258 2.794594 1.824169 2.825732 3.131659 1.864235 6.128814 6.284138 7.022320 4.071779 3.470986 4.543195 6.669046 6.454226 6.109882 5.321518 5.559685 5.782965 5.020061 5.295309 4.473352 6.156878 6.858190 5.328700 0.000000 1.775992 3.191796 3.155067 5.850143 5.837525 6.170576 5.572085 5.556235 6.668599 3.512198 3.782879 3.132468 2.255924 3.136442 3.537210 2.272487 5.335426 5.508787 6.240759 4.528850 3.919933 5.143893 5.978143 5.726678 5.520595 4.349674 4.626813 4.805649 4.675074 5.122380 4.105158 5.418755 6.180476 4.664628 0.981550 0.000000 3.298272 4.269922 3.856262 7.228927 7.097735 6.999279 6.248677 6.985696 7.438761 4.815634 5.114118 3.466833 2.494766 3.543870 3.913781 2.568690 6.780293 7.018843 7.649081 4.863647 4.255601 5.218355 7.509603 7.267576 6.999122 5.705275 6.051648 6.196860 5.964923 6.249583 5.381137 6.876954 7.582038 6.082993 0.964785 1.560924 0.000000 2.813422 4.187522 1.962532 5.882820 6.389147 4.809616 4.669441 5.540158 4.991090 3.897341 3.355118 2.889144 3.042373 4.949207 4.789284 4.535493 2.815781 3.109372 3.552141 4.671851 3.929613 5.469001 4.008392 4.326976 3.496940 3.857373 3.358448 4.514852 2.800761 3.380310 1.848045 5.183132 6.051677 4.710220 3.875232 3.375187 4.597832 0.000000 1.839362 3.606050 2.233029 5.251174 5.654132 5.174045 4.929414 4.926110 5.504696 3.344858 3.031033 2.978592 2.812303 4.397827 4.418189 3.909503 3.014310 3.264800 3.879153 4.681745 3.976026 5.499545 4.074861 4.168656 3.635986 3.285492 3.005568 3.909089 3.040904 3.709297 2.216177 4.683493 5.575318 4.156592 3.186834 2.538267 3.898695 0.981742 0.000000 0.986231 3.759687 4.240006 3.477580 3.692860 6.767274 6.527617 3.365663 7.278050 3.340422 3.571513 4.778577 4.265633 4.819094 5.247768 4.314271 3.359984 3.554228 4.246331 6.138006 5.588000 6.973822 4.296039 3.965151 4.253330 1.761120 2.136132 2.176845 4.348423 5.190587 3.851379 3.772737 4.697059 3.437898 3.629269 2.656158 4.100313 3.025046 2.148647 0.000000 3.123964 4.687555 2.914776 5.461050 6.074911 5.276915 5.292435 5.182161 5.440064 4.208202 3.653523 3.858080 4.009746 5.690103 5.582780 5.325085 1.874743 2.286299 2.574568 5.503352 4.822557 6.335396 3.478276 3.891500 3.156416 3.410211 2.723574 4.058696 2.979822 3.700565 2.152034 4.956751 5.846922 4.662649 4.693707 4.069314 5.384664 0.978062 1.537320 3.032751 0.000000 0.980888 2.177751 3.743201 4.015903 4.194044 5.591148 5.294696 3.520847 6.229715 1.837069 2.209966 4.142274 3.639895 3.385923 3.825423 3.073183 3.982910 3.845239 4.945820 4.874363 4.498930 5.738800 3.985461 3.570021 3.683679 3.164222 3.308565 3.290282 3.416491 4.149122 3.139140 3.195909 4.006781 2.502299 3.043849 2.247180 3.765829 3.026730 2.160793 1.582525 3.317861 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7406,-1.7971,.2774;-.8725,-.5482,-1.9366;-2.1227,-.3936,1.9566;4.5535,-.8248,-1.1604;4.6094,-1.6514,-1.6552;-3.2706,2.8394,-.3232;-3.6641,1.9397,-.3841;3.8358,-.3139,-1.5955;-3.6755,3.242,.4547;-.0607,-.0289,-1.7377;-.3515,.6944,-1.1375;-2.9082,-.9003,1.6896;-2.5371,-1.7059,1.2723;-2.3883,-1.5174,-2.006;-3.0315,-.8996,-1.604;-2.1905,-2.1458,-1.284;2.3729,1.1474,2.2358;2.3136,1.7015,1.4193;2.8563,1.674,2.8838;-4.0564,.2191,-.5126;-3.6954,-.1612,.3268;-5.0001,.0155,-.5093;1.9918,2.5386,-.0866;2.2647,1.9643,-.83;1.0164,2.4586,-.0694;3.2593,-1.3268,1.2533;3.054,-.449,1.6352;3.7736,-1.1426,.438;-.7075,1.9157,.1114;-1.6134,2.2858,.021;-.7073,1.3198,.8896;2.5268,.7206,-2.1881;2.6492,1.0933,-3.0701;1.6122,.3628,-2.1719;-1.7007,-3.0016,.2981;-.754,-2.752,.3693;-1.7536,-3.944,.4974;-.2243,.0626,2.1551;.0568,-.6542,1.5461;1.6724,-1.6929,.583;.616,.5094,2.3807;.6126,-1.1804,-.4746; 0.4248083 0.2320897 0.2141409 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.77D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 484 483 484 484 484 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74407693491 -1070.74407693 1 1.067085490120e+03 -5.099501144091e+03 1.677328355417e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT11402.800S Tue Nov 5 10:15:04 2024 -19.13291 -19.13139 -19.12981 -19.12725 -19.12351 -19.12262 -19.12040 -19.11794 -19.11784 -19.11633 -19.11607 -19.11492 -19.11479 -19.11150 -1.03024 -1.02621 -1.02168 -1.02049 -1.01501 -1.01187 -1.00991 -1.00935 -1.00443 -1.00026 -0.99934 -0.99450 -0.99246 -0.98530 -0.54964 -0.54705 -0.54251 -0.54091 -0.53665 -0.53360 -0.53329 -0.52912 -0.52733 -0.52396 -0.52252 -0.52010 -0.51893 -0.51705 -0.44253 -0.43355 -0.42956 -0.41975 -0.41400 -0.41012 -0.40378 -0.40249 -0.39713 -0.39191 -0.38492 -0.38305 -0.37627 -0.36700 -0.33170 -0.32998 -0.32707 -0.32670 -0.32473 -0.32339 -0.32233 -0.32134 -0.32067 -0.31825 -0.31739 -0.31594 -0.31388 -0.31231 -0.00011 0.02327 0.03859 0.04228 0.05808 0.06618 0.07165 0.07720 0.08988 0.09506 0.10239 0.10706 0.11289 0.11447 0.12275 0.12844 0.13242 0.13869 0.14042 0.14608 0.14840 0.15428 0.15531 0.15892 0.16735 0.17326 0.17644 0.17945 0.18180 0.18857 0.19249 0.19394 0.19953 0.20428 0.21293 0.21542 0.22113 0.22222 0.22693 0.23141 0.23509 0.23720 0.24300 0.24354 0.24906 0.25412 0.25736 0.25805 0.26430 0.26590 0.26642 0.27273 0.27532 0.27778 0.28167 0.28315 0.28670 0.29032 0.29157 0.29252 0.29414 0.30015 0.30295 0.30554 0.31788 0.32836 0.33386 0.33911 0.35113 0.37120 0.40372 0.41056 0.42081 0.44649 0.45184 0.45861 0.46186 0.46699 0.47447 0.48988 0.49785 0.50503 0.50895 0.52638 0.52807 0.53965 0.54438 0.54965 0.55546 0.56569 0.57202 0.57519 0.58349 0.58609 0.59206 0.59730 0.60492 0.61025 0.61248 0.62513 0.63245 0.63535 0.65264 0.65603 0.66301 0.66665 0.67367 0.68351 0.68796 0.69006 0.71675 0.72759 0.93566 0.94872 0.95846 0.96502 0.97225 0.98022 0.98184 0.98904 1.00036 1.00236 1.01193 1.01826 1.02299 1.02467 1.03535 1.03891 1.04339 1.04727 1.05256 1.05722 1.06136 1.06431 1.07241 1.07766 1.08467 1.08819 1.09511 1.10258 1.10574 1.11338 1.12373 1.12808 1.13234 1.13600 1.14267 1.14822 1.15632 1.16512 1.17430 1.19010 1.20943 1.21570 1.23620 1.25091 1.26438 1.27204 1.28332 1.28883 1.28991 1.30275 1.30584 1.32233 1.32626 1.33421 1.33988 1.34570 1.34932 1.36194 1.36961 1.37409 1.37993 1.38958 1.39733 1.40055 1.41280 1.41378 1.42957 1.43413 1.44378 1.45818 1.46335 1.46631 1.47539 1.47928 1.48972 1.50275 1.50827 1.51445 1.53229 1.53965 1.55953 1.57072 1.58362 1.59500 1.59693 1.60672 1.61194 1.62137 1.62945 1.63933 1.64869 1.66113 1.67421 1.68791 1.69261 1.70603 1.71662 1.73051 1.73845 1.74489 1.75830 1.77410 1.77600 1.78710 1.79755 1.79953 1.80553 1.82315 1.83716 1.83887 1.86921 1.88757 2.02244 2.02580 2.04118 2.04448 2.05182 2.05446 2.18270 2.20053 2.23822 2.25070 2.26234 2.27962 2.28524 2.30814 2.32142 2.32890 2.34549 2.35144 2.36814 2.37989 2.40592 2.41620 2.42068 2.43569 2.44100 2.45258 2.45937 2.49638 2.54905 2.55286 2.57776 2.58831 2.59965 2.61532 2.67079 2.68441 2.69056 2.69788 2.71501 2.72255 2.73263 2.74411 2.74731 2.75773 2.76522 2.77355 2.79274 2.80421 2.82238 2.82854 2.84851 2.85450 2.87099 2.89634 2.90196 2.91306 3.07450 3.07816 3.08345 3.08603 3.08860 3.09123 3.09862 3.10381 3.10453 3.11008 3.11310 3.11822 3.12184 3.12668 3.13401 3.14247 3.14532 3.15147 3.15637 3.16246 3.17038 3.17640 3.18487 3.19151 3.19698 3.20671 3.21219 3.23058 3.28617 3.29945 3.30230 3.31554 3.32139 3.32700 3.33213 3.33788 3.35064 3.36052 3.36816 3.37735 3.39368 3.41430 3.69060 3.69237 3.70455 3.70976 3.71520 3.72211 3.73157 3.74173 3.74911 3.75828 3.76996 3.78313 3.81311 3.84489 3.90033 3.90538 3.91659 3.92247 3.92793 3.93326 3.93781 3.93897 3.94380 3.95117 3.98212 3.98732 4.00883 4.03296 5.00650 5.00705 5.01413 5.01836 5.03456 5.04292 5.04685 5.05270 5.06215 5.07312 5.07818 5.09813 5.11871 5.13073 5.36775 5.38082 5.39394 5.41254 5.42107 5.43984 5.44463 5.45452 5.47152 5.48017 5.49478 5.50940 5.54751 5.56970 5.64878 5.65471 5.65999 5.66520 5.67321 5.68001 5.69875 5.72456 5.73404 5.74095 5.76075 5.77396 5.78425 5.80320 49.87571 49.88019 49.90665 49.91240 49.91923 49.92749 49.92828 49.93556 49.94401 49.95293 49.95934 49.96269 49.97820 49.99896 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.875689 0.443651 0.371806 -0.733294 0.314316 -0.744997 0.410846 0.411267 0.320427 -0.863855 0.408489 -0.718069 0.375616 -0.739933 0.369774 0.367158 -0.771542 0.403972 0.351127 -0.744619 0.408500 0.338807 -0.734885 0.375357 0.374383 -0.803703 0.395022 0.411710 -0.890173 0.482073 0.400237 -0.732706 0.342419 0.398847 -0.741414 0.387644 0.367747 -0.790600 0.371015 0.452158 0.409922 0.421193 -0.00000 -3.2842 -1.0048 -0.4235 3.4605 -91.4478 -94.4787 -98.0114 1.2735 -15.2945 10.0352 3.1982 0.1673 -3.3654 1.2735 -15.2945 10.0352 -194.3601 -94.2207 -21.8823 -27.8699 23.0346 -15.6376 88.4210 48.3455 31.5081 19.0417 -3679.8518 -1485.6428 -1174.4118 -77.7926 -71.8758 32.7818 56.2142 -84.9246 12.6802 -865.4512 -822.0288 -461.2788 202.5434 -149.3569 31.2848 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF94 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7440769 RMSD=8.713e-10 Dipole=1.3366777,0.1000483,0.2384329 Quadrupole=1.460533,9.9793045,-11.4398374,5.4141563,-4.3650927,5.2121785 PG=C01 [X(H28O14)] 0 0.1513085748 -0.825672017 -1.7793282678 0 1.1880801285 -1.5820491144 0.9439408892 0 1.8699733959 2.129332752 -0.6384386847 0 -3.5307529813 -2.8134295007 -1.5734825266 0 -3.1512150175 -3.616393886 -1.9508356701 0 1.5796160465 2.0642709082 3.4699461074 0 2.3502836656 1.7342822856 2.9549552503 0 -3.0977150753 -2.7127733316 -0.6972499365 0 1.6795045331 3.0238155458 3.4905359477 0 0.2137624232 -1.4441810017 0.9488040723 0 0.0797665199 -0.5244033379 1.2712744386 0 2.821263411 1.9320972127 -0.6054483635 0 2.9065705229 1.1013599069 -1.1186527636 0 2.980123623 -1.5881316043 0.7699015358 0 3.2231896995 -0.7670570379 1.2428268078 0 3.0339464683 -1.3353838813 -0.1727480505 0 -2.8309732954 1.6060696976 -1.1773047627 0 -2.9638051745 1.1964806207 -0.2874649383 0 -3.5595150549 2.2268314699 -1.2992386596 0 3.5078166609 0.9768554558 1.8516840522 0 3.2921092956 1.3866653186 0.9770386248 0 4.4333815491 1.1923201501 2.0220942069 0 -2.9357361992 0.4259849087 1.2865972002 0 -2.8425420741 -0.5398120641 1.1621968982 0 -2.0410005346 0.7191015713 1.5545134399 0 -2.3726131239 -0.6148446652 -2.8296343075 0 -2.6343377719 0.1655644636 -2.2995022046 0 -2.8385386143 -1.3757657226 -2.4208617705 0 -0.2863913218 1.180959516 1.6399354749 0 0.3472074132 1.5653873152 2.2852669039 0 -0.0787058118 1.5588840977 0.7597364629 0 -2.3735005878 -2.3157105031 0.8688493466 0 -2.5761063146 -2.9204795312 1.5935306948 0 -1.4029777567 -2.1685685087 0.9048372576 0 2.8597714089 -0.5642449076 -1.8610553636 0 1.9036676452 -0.6979689215 -2.0383226365 0 3.3271682472 -0.8071054854 -2.6693675643 0 -0.0318325886 1.8875969819 -1.0582349195 0 0.1085531706 0.9665016118 -1.3675761336 0 -0.7450606623 -0.8253131486 -2.1906352029 0 -0.9998441944 2.0056685876 -1.1331814369 0 0.0440571163 -1.1312435348 -0.8534420865 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1513,-.8257,-1.7793;1.1881,-1.582,.9439;1.87,2.1293,-.6384;-3.5308,-2.8134,-1.5735;-3.1512,-3.6164,-1.9508;1.5796,2.0643,3.4699;2.3503,1.7343,2.955;-3.0977,-2.7128,-.6973;1.6795,3.0238,3.4905;.2138,-1.4442,.9488;.0798,-.5244,1.2713;2.8213,1.9321,-.6054;2.9066,1.1014,-1.1187;2.9801,-1.5881,.7699;3.2232,-.7671,1.2428;3.0339,-1.3354,-.1727;-2.831,1.6061,-1.1773;-2.9638,1.1965,-.2875;-3.5595,2.2268,-1.2992;3.5078,.9769,1.8517;3.2921,1.3867,.977;4.4334,1.1923,2.0221;-2.9357,.426,1.2866;-2.8425,-.5398,1.1622;-2.041,.7191,1.5545;-2.3726,-.6148,-2.8296;-2.6343,.1656,-2.2995;-2.8385,-1.3758,-2.4209;-.2864,1.181,1.6399;.3472,1.5654,2.2853;-.0787,1.5589,.7597;-2.3735,-2.3157,.8688;-2.5761,-2.9205,1.5935;-1.403,-2.1686,.9048;2.8598,-.5642,-1.8611;1.9037,-.698,-2.0383;3.3272,-.8071,-2.6694;-.0318,1.8876,-1.0582;.1086,.9665,-1.3676;-.7451,-.8253,-2.1906;-.9998,2.0057,-1.1332;.0441,-1.1312,-.8534; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF94/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2O CONF94 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 798 A 798 1120 882 70 70 1284.3749728010 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0454425614 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.010514 0.000000 3.603816 4.091853 0.000000 4.189407 5.488270 7.380586 0.000000 4.327147 5.598908 7.742615 0.964985 0.000000 6.160090 4.453050 4.119146 8.680092 9.167093 0.000000 5.813974 4.048821 3.646813 8.704885 9.108403 0.983889 0.000000 3.910013 4.726530 6.937390 0.982567 1.546244 7.878014 7.924367 0.000000 6.702642 5.285890 4.229044 9.320112 9.850724 0.964950 1.549092 8.559663 0.000000 2.798064 0.984036 4.246454 4.717856 4.944643 4.531109 4.323424 3.909566 5.345259 0.000000 3.066278 1.566563 3.727487 5.134991 5.511954 3.712808 3.618244 4.331332 4.480417 0.983836 0.000000 4.013969 4.173382 0.972082 7.987817 8.262343 4.262393 3.596863 7.524464 4.390051 4.540266 4.131863 0.000000 3.426574 3.795812 1.536837 7.547952 7.723114 4.872704 4.159847 7.125773 5.142582 4.243274 4.042979 0.980194 0.000000 3.883569 1.800485 4.127396 7.027398 7.007822 4.753073 4.026114 6.352753 5.510310 2.775875 3.129691 3.782702 3.287159 0.000000 4.309676 2.212513 3.709370 7.598354 7.677971 3.959522 3.154370 6.892282 4.669676 3.098645 3.152903 3.295922 3.027840 0.978214 0.000000 3.339238 2.171419 3.684557 6.873278 6.827944 5.190564 4.435400 6.306312 5.852929 3.036965 3.386749 3.302862 2.616998 0.977429 1.537095 0.000000 3.894843 5.551268 4.760576 4.492062 5.289143 6.423409 6.628532 4.353620 6.644031 4.805703 4.359686 5.690439 5.759998 6.911106 6.938419 6.637663 0.000000 4.002336 5.145361 4.935465 4.249076 5.095654 5.959352 6.248365 3.932953 6.258815 4.312585 3.828112 5.840314 5.929691 6.648487 6.669046 6.511261 0.988546 0.000000 4.828921 6.486839 5.470421 5.047798 5.893604 7.013003 7.298390 4.997534 7.143140 5.724304 5.236526 6.425150 6.565787 7.848704 7.837764 7.578397 0.964876 1.562107 0.000000 5.263032 3.571158 3.195535 8.697097 8.938669 2.742116 1.769403 7.983951 3.196655 4.186574 3.787107 2.724214 3.033134 2.833350 1.868944 3.109554 7.053435 6.819537 7.838235 0.000000 4.728279 3.638860 2.276794 8.408175 8.667149 3.099414 2.218113 7.774220 3.405646 4.182189 3.749387 1.738809 2.149875 2.998276 2.171155 2.966178 6.494727 6.385265 7.268568 0.989686 0.000000 6.071182 4.403580 3.811494 9.612577 9.820082 3.316708 2.345901 8.908535 3.618637 5.090017 4.739708 3.170201 3.493382 3.377996 2.431251 3.628366 7.948471 7.749352 8.717102 0.965471 1.559620 0.000000 4.527294 4.599508 5.449954 4.362099 5.183457 5.276305 5.695355 3.716677 5.736420 3.678446 3.161760 6.244298 6.354046 6.270649 6.273566 6.392904 2.733933 1.752747 3.212273 6.491699 6.309104 7.445275 0.000000 4.206831 4.168910 5.707401 3.623108 4.387665 5.626939 5.945665 2.871309 6.210436 3.194435 2.924384 6.427565 6.399064 5.929275 6.070522 6.078497 3.174620 2.265157 3.771874 6.565267 6.432694 7.528530 0.978225 0.000000 4.278673 4.011864 4.700373 4.947979 5.684766 4.311291 4.719662 4.238496 4.785608 3.182865 2.474708 5.456959 5.636524 5.581275 5.478824 5.741030 2.978859 2.114792 3.566937 5.562744 5.405662 6.508471 0.978902 1.543128 0.000000 2.741856 5.277679 5.507394 2.784417 3.223012 7.904587 7.828514 3.078009 8.342905 4.653357 4.779100 6.197602 5.808838 6.523476 6.922508 6.067051 2.805842 3.176953 3.438891 7.682949 7.112375 8.551414 4.282966 4.020097 4.594576 0.000000 3.002159 5.308950 5.186939 3.194538 3.833007 7.392498 7.410577 3.326674 7.765525 4.610255 4.537936 5.979468 5.742106 6.634672 6.908582 6.237417 1.836586 2.284651 2.470891 7.457654 6.881103 8.347639 3.608153 3.538964 3.938514 0.979070 0.000000 3.106985 5.251486 6.134561 1.806679 2.310650 8.127457 8.092940 2.196725 8.643706 4.547073 4.782593 6.802282 6.390476 6.639495 7.108987 6.288221 3.230764 3.344178 3.841426 8.004105 7.534029 8.900323 4.123227 3.679286 4.563786 0.981419 1.559527 0.000000 3.988673 3.208222 3.277241 6.066884 6.641946 2.758833 2.997916 5.341080 3.268882 2.760286 1.782763 3.906850 4.220326 4.369776 4.033562 4.543396 3.820008 3.299039 4.521718 3.805589 3.645190 4.735233 2.777384 3.118204 1.816387 5.249218 4.697132 5.435106 0.000000 4.719796 3.523149 3.344384 7.007322 7.552111 1.780781 2.118802 6.250244 2.314023 3.295670 2.338147 3.822521 4.283962 4.378728 3.846850 4.655629 4.700201 4.209257 5.343095 3.244043 3.227360 4.111600 3.615702 3.983422 2.636994 6.189754 5.645283 6.398985 0.982693 0.000000 3.490826 3.391775 2.465290 6.039674 6.600835 3.217248 3.278680 5.429943 3.562947 3.023191 2.151016 3.226893 3.556620 4.388650 4.067664 4.351427 3.365907 3.090593 4.098971 3.793976 3.382200 4.699665 3.118279 3.493607 2.277610 4.782331 4.222740 5.132743 0.980158 1.583884 0.000000 3.950661 3.637136 6.327511 2.748080 3.201131 6.448029 6.562653 1.770540 7.197960 2.731279 3.064188 6.870444 6.595884 5.403744 5.819032 5.593429 4.447065 3.744464 5.171259 6.811523 6.768931 7.744023 2.829755 1.860072 3.129022 4.070839 4.032767 3.452819 4.144551 4.946859 4.504495 0.000000 4.816969 4.047525 7.088718 3.309499 3.657537 6.755642 6.913002 2.358579 7.552715 3.221568 3.591475 7.583839 7.320579 5.772799 6.196132 6.091384 5.313392 4.542886 5.985818 7.229798 7.305307 8.138287 3.379699 2.434053 3.678914 4.992169 4.968175 4.309334 4.697526 5.398821 5.195856 0.965380 0.000000 3.379929 2.656900 5.618351 3.329466 3.647931 5.778631 5.789836 2.394781 6.568743 1.772151 2.244123 6.077881 5.775738 4.423425 4.845606 4.641302 4.541187 3.896322 5.369185 5.908140 5.889715 6.826927 3.037564 2.188933 3.027836 4.159390 4.151170 3.708051 3.606449 4.348696 3.958365 0.982273 1.554316 0.000000 2.722277 3.420304 3.119271 6.780880 6.742079 6.080088 5.360668 6.439120 6.550323 3.958656 4.188258 2.794594 1.824169 2.825732 3.131659 1.864235 6.128814 6.284138 7.022320 4.071779 3.470986 4.543195 6.669046 6.454226 6.109882 5.321518 5.559685 5.782965 5.020061 5.295309 4.473352 6.156878 6.858190 5.328700 0.000000 1.775992 3.191796 3.155067 5.850143 5.837525 6.170576 5.572085 5.556235 6.668599 3.512198 3.782879 3.132468 2.255924 3.136442 3.537210 2.272487 5.335426 5.508787 6.240759 4.528850 3.919933 5.143893 5.978143 5.726678 5.520595 4.349674 4.626813 4.805649 4.675074 5.122380 4.105158 5.418755 6.180476 4.664628 0.981550 0.000000 3.298272 4.269922 3.856262 7.228927 7.097735 6.999279 6.248677 6.985696 7.438761 4.815634 5.114118 3.466833 2.494766 3.543870 3.913781 2.568690 6.780293 7.018843 7.649081 4.863647 4.255601 5.218355 7.509603 7.267576 6.999122 5.705275 6.051648 6.196860 5.964923 6.249583 5.381137 6.876954 7.582038 6.082993 0.964785 1.560924 0.000000 2.813422 4.187522 1.962532 5.882820 6.389147 4.809616 4.669441 5.540158 4.991090 3.897341 3.355118 2.889144 3.042373 4.949207 4.789284 4.535493 2.815781 3.109372 3.552141 4.671851 3.929613 5.469001 4.008392 4.326976 3.496940 3.857373 3.358448 4.514852 2.800761 3.380310 1.848045 5.183132 6.051677 4.710220 3.875232 3.375187 4.597832 0.000000 1.839362 3.606050 2.233029 5.251174 5.654132 5.174045 4.929414 4.926110 5.504696 3.344858 3.031033 2.978592 2.812303 4.397827 4.418189 3.909503 3.014310 3.264800 3.879153 4.681745 3.976026 5.499545 4.074861 4.168656 3.635986 3.285492 3.005568 3.909089 3.040904 3.709297 2.216177 4.683493 5.575318 4.156592 3.186834 2.538267 3.898695 0.981742 0.000000 0.986231 3.759687 4.240006 3.477580 3.692860 6.767274 6.527617 3.365663 7.278050 3.340422 3.571513 4.778577 4.265633 4.819094 5.247768 4.314271 3.359984 3.554228 4.246331 6.138006 5.588000 6.973822 4.296039 3.965151 4.253330 1.761120 2.136132 2.176845 4.348423 5.190587 3.851379 3.772737 4.697059 3.437898 3.629269 2.656158 4.100313 3.025046 2.148647 0.000000 3.123964 4.687555 2.914776 5.461050 6.074911 5.276915 5.292435 5.182161 5.440064 4.208202 3.653523 3.858080 4.009746 5.690103 5.582780 5.325085 1.874743 2.286299 2.574568 5.503352 4.822557 6.335396 3.478276 3.891500 3.156416 3.410211 2.723574 4.058696 2.979822 3.700565 2.152034 4.956751 5.846922 4.662649 4.693707 4.069314 5.384664 0.978062 1.537320 3.032751 0.000000 0.980888 2.177751 3.743201 4.015903 4.194044 5.591148 5.294696 3.520847 6.229715 1.837069 2.209966 4.142274 3.639895 3.385923 3.825423 3.073183 3.982910 3.845239 4.945820 4.874363 4.498930 5.738800 3.985461 3.570021 3.683679 3.164222 3.308565 3.290282 3.416491 4.149122 3.139140 3.195909 4.006781 2.502299 3.043849 2.247180 3.765829 3.026730 2.160793 1.582525 3.317861 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7406,-1.7971,.2774;-.8725,-.5482,-1.9366;-2.1227,-.3936,1.9566;4.5535,-.8248,-1.1604;4.6094,-1.6514,-1.6552;-3.2706,2.8394,-.3232;-3.6641,1.9397,-.3841;3.8358,-.3139,-1.5955;-3.6755,3.242,.4547;-.0607,-.0289,-1.7377;-.3515,.6944,-1.1375;-2.9082,-.9003,1.6896;-2.5371,-1.7059,1.2723;-2.3883,-1.5174,-2.006;-3.0315,-.8996,-1.604;-2.1905,-2.1458,-1.284;2.3729,1.1474,2.2358;2.3136,1.7015,1.4193;2.8563,1.674,2.8838;-4.0564,.2191,-.5126;-3.6954,-.1612,.3268;-5.0001,.0155,-.5093;1.9918,2.5386,-.0866;2.2647,1.9643,-.83;1.0164,2.4586,-.0694;3.2593,-1.3268,1.2533;3.054,-.449,1.6352;3.7736,-1.1426,.438;-.7075,1.9157,.1114;-1.6134,2.2858,.021;-.7073,1.3198,.8896;2.5268,.7206,-2.1881;2.6492,1.0933,-3.0701;1.6122,.3628,-2.1719;-1.7007,-3.0016,.2981;-.754,-2.752,.3693;-1.7536,-3.944,.4974;-.2243,.0626,2.1551;.0568,-.6542,1.5461;1.6724,-1.6929,.583;.616,.5094,2.3807;.6126,-1.1804,-.4746; 0.4248083 0.2320897 0.2141409 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 798 RedAO= T EigKep= 8.74D-05 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 864 854 855 858 864 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.75506090201 -1070.78136637492 -0.026305472915 -1070.78147335338 -0.000106978454 -1070.78149236988 -0.000019016500 -1070.78150236965 -0.000009999770 -1070.78150245545 -0.000000085807 -1070.78150247188 -0.000000016431 -1070.78150247249 -0.000000000606 -1070.78150247 8 1.066988891284e+03 -5.099816875022e+03 1.677703259647e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT3255.900S Tue Nov 5 10:21:54 2024 -19.13266 -19.13120 -19.12941 -19.12693 -19.12336 -19.12249 -19.12030 -19.11768 -19.11744 -19.11594 -19.11578 -19.11490 -19.11474 -19.11133 -1.02930 -1.02532 -1.02075 -1.01957 -1.01402 -1.01084 -1.00889 -1.00834 -1.00340 -0.99922 -0.99828 -0.99347 -0.99138 -0.98421 -0.54865 -0.54608 -0.54141 -0.53982 -0.53555 -0.53253 -0.53224 -0.52803 -0.52621 -0.52288 -0.52144 -0.51907 -0.51792 -0.51596 -0.44251 -0.43358 -0.42961 -0.41976 -0.41411 -0.41014 -0.40382 -0.40261 -0.39726 -0.39199 -0.38513 -0.38309 -0.37642 -0.36720 -0.33200 -0.33022 -0.32722 -0.32679 -0.32491 -0.32364 -0.32255 -0.32153 -0.32085 -0.31849 -0.31762 -0.31616 -0.31407 -0.31250 -0.00091 0.02206 0.03696 0.04058 0.05661 0.06456 0.07056 0.07567 0.08859 0.09358 0.10141 0.10570 0.11152 0.11367 0.12135 0.12701 0.13148 0.13705 0.13911 0.14489 0.14676 0.15136 0.15294 0.15727 0.16558 0.17123 0.17434 0.17723 0.17913 0.18520 0.18999 0.19131 0.19713 0.20173 0.20848 0.21199 0.21759 0.21942 0.22237 0.22655 0.23152 0.23443 0.23971 0.23996 0.24510 0.24755 0.25179 0.25589 0.26045 0.26317 0.26398 0.26826 0.27165 0.27404 0.27721 0.27968 0.28096 0.28288 0.28622 0.28896 0.29084 0.29503 0.29961 0.30130 0.30919 0.31886 0.32468 0.33002 0.33468 0.35860 0.38795 0.39202 0.40410 0.41193 0.43231 0.43751 0.44384 0.44783 0.44922 0.46347 0.46829 0.47890 0.48998 0.49632 0.50114 0.50554 0.50833 0.51290 0.52139 0.52562 0.53139 0.53745 0.54050 0.54414 0.54897 0.55251 0.55698 0.56547 0.57067 0.57303 0.57461 0.57970 0.59140 0.59641 0.60182 0.60583 0.61469 0.61682 0.62460 0.62947 0.63545 0.64650 0.65477 0.65935 0.66518 0.67180 0.67369 0.68368 0.69167 0.69588 0.70790 0.71468 0.71759 0.72660 0.73175 0.73742 0.74407 0.74849 0.76010 0.76410 0.76914 0.77595 0.79372 0.79870 0.79964 0.80996 0.82000 0.82478 0.83048 0.83768 0.83845 0.84601 0.85146 0.85735 0.85979 0.86956 0.87364 0.87526 0.88190 0.88751 0.89406 0.89848 0.90421 0.91343 0.91508 0.91901 0.91988 0.93014 0.93731 0.94055 0.94647 0.95196 0.95558 0.95610 0.96531 0.96942 0.97570 0.97820 0.98337 0.98580 0.99065 0.99801 1.00433 1.00476 1.01226 1.02052 1.02450 1.02648 1.03084 1.04157 1.04305 1.04488 1.04839 1.05204 1.05506 1.05926 1.06752 1.07097 1.07534 1.08001 1.08090 1.08501 1.08979 1.09374 1.10151 1.10531 1.11023 1.11581 1.12296 1.12991 1.13547 1.14113 1.14865 1.15564 1.15699 1.16244 1.16503 1.17082 1.18124 1.18905 1.19922 1.20432 1.21151 1.21441 1.22516 1.23291 1.23788 1.24705 1.25168 1.26019 1.27254 1.28022 1.28305 1.29508 1.29532 1.30620 1.31080 1.31373 1.31813 1.32625 1.34113 1.34558 1.34747 1.35755 1.36438 1.37212 1.38073 1.38435 1.39303 1.40314 1.41637 1.41948 1.42332 1.43211 1.43826 1.44036 1.45543 1.45988 1.46937 1.47777 1.48250 1.49374 1.50231 1.50996 1.51935 1.52420 1.53480 1.54436 1.55256 1.55612 1.55825 1.56309 1.57205 1.57858 1.58295 1.58939 1.59442 1.60398 1.60935 1.63248 1.63589 1.64976 1.66144 1.67844 1.68723 1.69331 1.72168 1.73523 1.75161 1.76600 1.77576 1.78352 1.79362 1.80684 1.82333 1.83226 1.85096 1.86423 1.87407 1.89767 1.90956 1.92091 1.93778 1.96167 1.99354 2.01489 2.03738 2.05952 2.06758 2.09994 2.11737 2.12827 2.16330 2.17983 2.18791 2.20208 2.21127 2.21720 2.23211 2.24400 2.25614 2.27166 2.27380 2.29713 2.30720 2.31902 2.34228 2.35292 2.37079 2.38464 2.39834 2.43118 2.70069 2.72054 2.72755 2.73536 2.74924 2.75441 2.75935 2.76764 2.77024 2.78239 2.79706 2.80440 2.81419 2.83711 2.85161 2.86380 2.87202 2.88650 2.90364 2.91116 2.94178 2.97121 2.99748 3.02680 3.03917 3.05945 3.06913 3.09467 3.11198 3.12453 3.15504 3.16431 3.17146 3.19164 3.19340 3.20411 3.21557 3.21742 3.22912 3.24174 3.25012 3.26240 3.27295 3.28018 3.28115 3.29751 3.30034 3.30607 3.31588 3.31935 3.32843 3.33271 3.34740 3.35781 3.36128 3.37194 3.37386 3.38664 3.39537 3.40110 3.40557 3.41360 3.41739 3.42413 3.42937 3.44181 3.44410 3.44647 3.45333 3.46161 3.46858 3.47469 3.48342 3.49226 3.49583 3.50085 3.50727 3.51651 3.52014 3.52815 3.53325 3.54168 3.55183 3.55419 3.55882 3.56537 3.57047 3.57439 3.59160 3.60279 3.60819 3.62116 3.62253 3.64243 3.66536 3.68073 3.70890 3.74310 3.79029 3.79519 3.81290 3.82297 3.82422 3.84962 3.91338 3.93354 3.94812 3.96588 3.98006 4.00060 4.03115 4.03483 4.03917 4.04691 4.05060 4.05397 4.06519 4.07612 4.08186 4.12610 4.13439 4.14138 4.15777 4.16494 4.17057 4.17587 4.18751 4.20359 4.20557 4.22037 4.23076 4.23911 4.24157 4.24487 4.25966 4.26812 4.26977 4.28354 4.30341 4.31246 4.32859 4.33382 4.34101 4.35276 4.36116 4.36851 4.38307 4.38977 4.39600 4.41564 4.42566 4.46897 4.47432 4.49122 4.64512 4.64599 4.64727 4.64984 4.65538 4.65977 4.74187 4.74623 4.75527 4.77229 4.78010 4.79652 4.79744 4.80779 4.83805 4.85205 4.86215 4.87124 4.88252 4.88514 4.89675 4.91005 4.91504 4.92426 4.94778 4.97324 4.97839 4.99456 5.02608 5.03054 5.03194 5.04890 5.05248 5.05288 5.05493 5.11868 5.12682 5.13380 5.14515 5.15328 5.17104 5.17319 5.19185 5.19935 5.20696 5.21315 5.22192 5.23145 5.23691 5.24202 5.25243 5.25672 5.26313 5.27399 5.28365 5.28813 5.29362 5.29669 5.29878 5.30022 5.30994 5.31525 5.33124 5.33259 5.34414 5.35133 5.35618 5.36503 5.36964 5.37429 5.38196 5.38585 5.38755 5.39095 5.40336 5.40721 5.41452 5.42584 5.42753 5.43044 5.43647 5.43992 5.44585 5.45038 5.46175 5.46630 5.46864 5.47985 5.48696 5.49255 5.49718 5.51711 5.52947 5.53704 5.54926 5.56277 5.57690 5.57927 5.58326 5.58839 5.59144 5.59876 5.60064 5.60147 5.60413 5.60645 5.62065 5.62753 5.63070 5.63499 5.64092 5.64652 5.65779 5.67642 5.68493 5.69847 5.71462 5.72596 5.73763 5.74617 5.75094 5.75428 5.76792 5.77663 5.79398 5.80086 5.81675 5.82806 5.83697 5.86924 5.89469 5.90749 5.91601 5.92355 5.92720 5.93464 5.95564 5.99126 6.02306 6.03840 6.93572 6.94278 6.96506 6.96588 6.98239 6.98914 6.99609 6.99675 7.00153 7.00407 7.00879 7.00962 7.02440 7.02767 7.03286 7.03884 7.05405 7.06412 7.07429 7.08177 7.08820 7.10249 7.11785 7.12781 7.14331 7.15158 7.17094 7.20543 14.36660 14.36761 14.36917 14.37508 14.37797 14.37928 14.38287 14.38387 14.38521 14.39054 14.39194 14.39491 14.39622 14.40072 14.40188 14.40342 14.40799 14.41142 14.41540 14.42231 14.42609 14.42633 14.43608 14.44102 14.44738 14.44778 14.45808 14.46156 14.46552 14.47163 14.47678 14.48359 14.48505 14.49413 14.49587 14.50415 14.50572 14.51212 14.52981 14.55841 14.58355 14.60208 14.67250 14.67439 14.67527 14.67793 14.68036 14.68682 14.69456 14.69526 14.70512 14.71326 14.72665 14.72965 14.73821 14.75689 15.05395 15.05942 15.06482 15.06593 15.06762 15.06871 15.07516 15.07811 15.08744 15.09010 15.09510 15.11095 15.11939 15.15602 50.00741 50.01547 50.02358 50.03100 50.04565 50.04828 50.05480 50.06586 50.06977 50.08549 50.09273 50.11566 50.11673 50.14645 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.896112 0.442161 0.354781 -0.795292 0.292778 -0.799137 0.489376 0.489635 0.291543 -0.877069 0.439187 -0.774979 0.411839 -0.784465 0.396277 0.377731 -0.756102 0.463121 0.315103 -0.786611 0.497310 0.294631 -0.830024 0.412269 0.403653 -0.879762 0.431149 0.448992 -0.877875 0.482573 0.426065 -0.723621 0.296465 0.419251 -0.707131 0.399656 0.329364 -0.831301 0.433121 0.472752 0.384427 0.424273 -0.00000 -3.1821 -0.9526 -0.4314 3.3495 -90.2729 -93.2542 -96.8478 1.3561 -14.5479 9.5682 3.1854 0.2041 -3.3895 1.3561 -14.5479 9.5682 -186.9688 -91.3531 -21.0426 -27.0015 22.2394 -15.2667 85.3430 47.1591 30.5588 18.4199 -3644.8808 -1468.8555 -1162.7157 -73.8722 -68.5713 31.6225 52.6200 -78.8613 13.9675 -856.5372 -814.2702 -458.2095 193.9999 -143.3320 31.6962 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTA LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF94 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7815025 RMSD=7.006e-09 Dipole=1.2920201,0.0937966,0.2418566 Quadrupole=1.5676725,9.3945783,-10.9622509,5.1495791,-4.1897751,5.0082167 PG=C01 [X(H28O14)] 0 0.1513085748 -0.825672017 -1.7793282678 0 1.1880801285 -1.5820491144 0.9439408892 0 1.8699733959 2.129332752 -0.6384386847 0 -3.5307529813 -2.8134295007 -1.5734825266 0 -3.1512150175 -3.616393886 -1.9508356701 0 1.5796160465 2.0642709082 3.4699461074 0 2.3502836656 1.7342822856 2.9549552503 0 -3.0977150753 -2.7127733316 -0.6972499365 0 1.6795045331 3.0238155458 3.4905359477 0 0.2137624232 -1.4441810017 0.9488040723 0 0.0797665199 -0.5244033379 1.2712744386 0 2.821263411 1.9320972127 -0.6054483635 0 2.9065705229 1.1013599069 -1.1186527636 0 2.980123623 -1.5881316043 0.7699015358 0 3.2231896995 -0.7670570379 1.2428268078 0 3.0339464683 -1.3353838813 -0.1727480505 0 -2.8309732954 1.6060696976 -1.1773047627 0 -2.9638051745 1.1964806207 -0.2874649383 0 -3.5595150549 2.2268314699 -1.2992386596 0 3.5078166609 0.9768554558 1.8516840522 0 3.2921092956 1.3866653186 0.9770386248 0 4.4333815491 1.1923201501 2.0220942069 0 -2.9357361992 0.4259849087 1.2865972002 0 -2.8425420741 -0.5398120641 1.1621968982 0 -2.0410005346 0.7191015713 1.5545134399 0 -2.3726131239 -0.6148446652 -2.8296343075 0 -2.6343377719 0.1655644636 -2.2995022046 0 -2.8385386143 -1.3757657226 -2.4208617705 0 -0.2863913218 1.180959516 1.6399354749 0 0.3472074132 1.5653873152 2.2852669039 0 -0.0787058118 1.5588840977 0.7597364629 0 -2.3735005878 -2.3157105031 0.8688493466 0 -2.5761063146 -2.9204795312 1.5935306948 0 -1.4029777567 -2.1685685087 0.9048372576 0 2.8597714089 -0.5642449076 -1.8610553636 0 1.9036676452 -0.6979689215 -2.0383226365 0 3.3271682472 -0.8071054854 -2.6693675643 0 -0.0318325886 1.8875969819 -1.0582349195 0 0.1085531706 0.9665016118 -1.3675761336 0 -0.7450606623 -0.8253131486 -2.1906352029 0 -0.9998441944 2.0056685876 -1.1331814369 0 0.0440571163 -1.1312435348 -0.8534420865