Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OH3O CONF58 gas EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 75 75 516 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(H31O15)] C1[X(H31O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 239.99100000000004 1 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5388,-3.932,-2.1906;-.9076,1.9788,1.9976;-4.5729,-.0155,-.4323;3.518,.4069,-.5208;3.0908,1.2704,-.8344;1.7413,-2.8562,1.1808;.7946,-2.8082,1.4122;4.4339,.4232,-.8116;2.0156,-3.7674,1.3029;-1.178,2.8956,1.8324;-.3384,3.3623,1.7271;-3.6364,-.0385,-.23;-3.3141,.884,-.275;-.0056,.3469,1.4286;.9229,.3481,1.7336;-1.4204,-2.3381,.6845;-.0439,-1.097,-2.1344;-.8245,-1.5577,-1.7093;-.1478,-.1254,-1.8932;2.0636,-1.7648,-1.1905;1.9756,-2.2309,-.3162;2.6464,-.9829,-1.0366;-.9177,-2.2966,1.5354;-1.5208,-2.5499,2.2381;.9546,-1.4461,-1.6935;2.6499,.7301,2.0271;3.1021,.2421,2.7191;3.1067,.5272,1.181;1.8017,3.4232,1.5566;2.2521,4.1521,1.9891;2.1644,2.6081,1.9391;-.2009,1.2577,-1.104;-.1076,.946,-.1704;-1.0329,1.7722,-1.107;2.2773,2.5611,-1.1321;2.1888,3.0747,-.3125;1.3738,2.2575,-1.3283;-2.5369,2.4839,-.3693;-2.1057,2.7527,.4899;-2.9992,3.2519,-.7129;-2.0979,-2.081,-.8345;-2.6075,-2.7855,-1.2903;-3.4146,-4.0359,-3.1363;-2.7178,-1.3175,-.6813;-3.8468,-4.7798,-1.8642;-.3637,-.5483,1.5721; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6521541/Gau-2071712.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6521541/" chk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF58/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 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=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 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=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2OH3O CONF58 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 2 3 4 4 4 4 5 6 6 6 7 10 10 12 12 13 14 14 14 15 16 16 17 17 17 18 19 20 20 20 23 23 26 26 26 29 29 29 32 32 34 35 35 38 38 41 41 42 43 45 10 12 5 8 22 28 35 7 9 21 23 11 39 13 44 38 15 33 46 26 23 41 18 19 25 41 32 21 22 25 24 46 27 28 31 30 31 36 33 34 38 36 37 39 40 42 44 1.7298 0.9595 0.9593 0.97 0.9584 1.0132 0.9611 1.7196 1.7549 1.5544 0.9757 0.9594 1.6392 1.7913 0.9663 1.638 0.9782 1.6381 1.7812 0.9773 1.7106 0.9748 1.7929 0.9892 1.683 1.0012 1.0064 1.1459 1.6311 1.5933 0.9946 0.9873 1.2587 0.9601 1.8343 0.9599 0.9827 1.9417 0.9598 0.9707 1.9403 0.9887 0.9782 1.8201 0.9713 0.9732 0.9982 0.96 0.9817 0.9953 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 42 42 43 5 5 5 8 8 22 7 7 9 6 2 2 11 3 3 13 15 15 33 18 18 19 17 21 21 22 7 7 7 16 16 24 15 15 15 27 27 28 4 30 30 31 26 19 19 33 32 5 5 36 29 13 13 13 34 34 39 16 16 16 18 18 42 1 1 1 4 4 4 4 4 4 6 6 6 7 10 10 10 12 12 12 14 14 14 17 17 17 19 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 28 29 29 29 31 32 32 32 34 35 35 35 36 38 38 38 38 38 38 41 41 41 41 41 41 43 45 45 8 22 28 22 28 28 9 21 21 23 11 39 39 13 44 44 33 46 46 19 25 25 32 22 25 25 16 24 46 24 46 46 27 28 31 28 31 31 26 31 36 36 29 33 34 34 38 36 37 37 35 34 39 40 39 40 40 18 42 44 42 44 44 121.0017 125.5632 106.3307 107.0833 112.4754 98.2181 113.9492 121.0356 103.1464 107.092 109.6679 115.96 163.2859 103.4679 102.4155 116.4211 106.8384 120.5691 122.6015 110.3606 107.7151 115.9338 105.1795 112.0715 106.9729 163.7713 106.6331 113.0773 112.4526 114.4976 125.1313 89.1376 107.4157 102.1625 115.2462 117.6124 105.2334 87.5834 107.2552 129.9511 106.0806 163.3372 106.5492 118.4824 98.8724 157.4325 101.0031 118.9137 104.4128 155.1298 108.9757 105.3933 104.5013 157.8276 91.7642 112.6295 121.832 95.576 124.4491 107.4994 102.6372 121.2213 103.2355 112.7381 108.8244 107.3772 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 4 12 14 23 17 6 4 17 14 10 1 12 14 4 12 14 23 17 6 4 17 14 10 1 12 14 5 13 15 16 18 21 22 25 33 39 42 44 46 5 13 15 16 18 21 22 25 33 39 42 44 46 35 38 26 41 41 20 20 20 32 38 41 41 23 35 38 26 41 41 20 20 20 32 38 41 41 23 1 4 6 2 2 1 2 2 1 4 3 5 3 1 4 6 2 2 1 2 2 1 4 3 5 3 -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 -2 175.7591 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 173.3547 190.0668 169.0346 169.8069 179.1631 171.7238 177.6743 177.1783 168.2471 177.5068 176.5097 179.4871 171.9885 179.7301 168.9862 172.8606 178.9926 173.8404 184.9654 182.1317 179.4427 173.7664 184.2057 172.7543 169.369 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 43 43 43 45 45 45 5 5 8 8 28 28 8 8 22 22 28 28 5 8 22 9 21 7 7 9 9 6 6 6 2 2 2 11 11 11 3 3 3 44 44 44 3 3 3 13 13 13 15 15 15 33 33 33 33 33 33 46 46 46 15 15 46 46 18 18 19 19 19 19 19 25 25 25 7 7 7 24 24 24 46 46 46 18 25 17 17 15 27 31 15 27 28 30 36 30 31 19 33 32 32 32 5 37 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 7 7 7 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 17 17 19 19 26 26 26 26 26 26 29 29 29 29 32 32 34 34 34 35 35 41 41 41 41 41 41 20 20 20 20 20 20 35 35 35 35 35 35 28 28 28 7 7 20 20 20 20 23 23 23 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 20 20 20 20 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 19 19 32 32 28 28 28 31 31 31 31 31 36 36 34 34 38 38 38 36 36 16 18 44 16 18 44 21 25 21 25 21 25 36 37 36 37 36 37 26 26 26 23 23 22 25 22 25 16 24 46 13 34 40 13 34 40 34 39 40 34 39 40 16 18 42 16 18 42 7 16 24 7 16 24 27 28 31 27 28 31 19 34 19 34 21 22 21 22 16 42 44 16 42 44 18 42 44 18 42 44 18 42 44 32 32 33 34 4 4 4 29 29 29 26 26 35 35 38 38 13 39 40 29 29 -138.9615 -15.5361 102.5171 8.5117 131.9371 -110.0098 -127.8809 -6.8521 107.6554 -131.3158 -24.7016 96.3272 -104.6994 145.3126 126.421 16.433 20.8728 -89.1151 31.307 146.984 -84.1847 -157.7129 -31.1114 116.9397 -4.8453 -121.1728 117.0422 65.1093 -158.6045 -37.8756 33.5198 -57.8244 174.3975 142.7356 51.3915 -76.3867 -141.8138 122.3483 -9.2283 4.0053 -91.8326 136.5908 -127.6718 125.6815 0.5885 88.3089 -18.3379 -143.4309 -23.6812 -138.1127 105.5883 96.6305 -17.801 -134.1 -158.5956 -37.4828 67.5092 -30.9229 90.1899 -164.8181 93.9182 -142.8207 -28.7604 94.5006 -15.9773 -136.0372 98.267 -21.7929 -86.5657 140.1375 20.7763 26.1763 -107.1205 133.5184 -34.2958 92.4969 -145.7939 176.4241 -56.7833 64.9259 56.565 -176.6424 -54.9332 70.8916 -48.4415 -8.8962 -122.2915 43.909 169.8952 -47.9833 -57.4111 177.8528 47.7496 -155.1254 -31.7647 153.7141 39.3407 110.522 -1.0133 -72.0612 40.8802 156.5605 -49.4411 62.8225 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 531 A 516 A 788 531 1468.3876122349 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.23D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Berny optimization. local minimum Step number 37 out of a maximum of 256 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00057 0.00078 0.00138 0.00189 0.00271 0.00295 0.00350 0.00403 0.00437 0.00460 0.00547 0.00605 0.00674 0.00725 0.00809 0.00844 0.00936 0.00954 0.01054 0.01123 0.01210 0.01287 0.01336 0.01359 0.01576 0.01748 0.01938 0.02053 0.02169 0.02276 0.02388 0.02632 0.02779 0.03078 0.03284 0.03415 0.03654 0.03750 0.03846 0.04033 0.04189 0.04307 0.04359 0.04641 0.04695 0.04963 0.04995 0.05117 0.05206 0.05404 0.05559 0.05724 0.05808 0.05999 0.06104 0.06151 0.06348 0.06499 0.06625 0.06698 0.06778 0.06925 0.07032 0.07158 0.07244 0.07354 0.07524 0.07627 0.07788 0.07981 0.08069 0.08218 0.08447 0.08600 0.08814 0.09035 0.09197 0.09798 0.09902 0.10509 0.10933 0.11196 0.11240 0.11824 0.12644 0.12740 0.13590 0.14153 0.14579 0.15161 0.15648 0.15894 0.16060 0.16643 0.17852 0.18410 0.19082 0.20387 0.25558 0.31206 0.41811 0.42201 0.44227 0.44672 0.45941 0.46172 0.47299 0.47941 0.48210 0.49624 0.49912 0.50044 0.50604 0.50901 0.51272 0.51546 0.51947 0.52272 0.52998 0.53741 0.54740 0.55264 0.55315 0.55473 0.55490 0.55534 0.55580 0.55625 0.55659 0.55984 0.67635 2.39836 -3.05965467e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 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 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 3.31680 1.82015 1.81954 1.83874 1.81711 1.90069 1.82127 3.36650 3.35918 3.05217 1.84556 1.81832 3.22037 3.44958 1.83751 3.15960 1.85221 3.20761 3.39786 1.84816 3.29425 1.84596 3.46399 1.86579 3.29575 1.89727 1.91337 2.06622 3.09972 2.98348 1.86571 1.85754 2.56095 1.82035 3.48037 1.82054 1.86212 3.55733 1.82083 1.84723 3.63870 1.86758 1.85295 3.42761 1.84015 1.84143 1.88510 1.81960 1.85481 1.87176 2.17354 2.24899 1.85901 1.87291 1.93382 1.68627 2.00822 2.14728 1.78709 1.87700 1.96147 2.13193 2.78979 1.80521 1.84834 2.09511 1.86802 2.17301 2.23115 1.97719 1.88557 2.04363 1.83448 1.94611 1.85782 2.87117 1.87510 1.99014 2.01120 1.98839 2.14427 1.55170 1.87012 1.82124 2.05279 2.06873 1.85053 1.57607 1.86961 2.16582 1.90130 2.80167 1.86477 2.10909 1.70236 2.76077 1.77295 2.11180 1.83634 2.71885 1.94527 1.88554 1.82930 2.74463 1.55157 1.99534 2.11741 1.65226 2.20907 1.88337 1.79283 2.10340 1.81016 1.96528 1.89955 1.88005 3.03733 2.98607 3.36666 2.93991 2.95623 3.07888 3.01746 3.09104 3.08891 2.89309 3.16710 3.02675 3.06135 2.97120 3.13243 2.93914 2.99022 3.08548 3.02119 3.17833 3.17479 3.19446 2.97513 3.19859 3.03646 2.96781 -2.68160 -0.57508 1.50560 0.37715 2.48367 -1.71883 -2.24954 -0.06599 1.88295 -2.21668 -0.48824 1.69531 -1.86015 2.46513 2.16145 0.20355 0.35771 -1.60020 0.58846 2.60673 -1.38460 -2.93771 -0.54303 2.03896 -0.16387 -1.97684 2.10352 1.24402 -2.73336 -0.59261 0.53725 -0.98797 3.03421 2.49369 0.96847 -1.29253 -2.89493 1.75941 -0.58566 0.11148 -1.51737 2.42075 -1.75060 2.67462 0.49773 1.50764 -0.35032 -2.52721 -0.43818 -2.43032 1.79881 1.76552 -0.22661 -2.28067 -2.90572 -0.75603 1.13468 -0.59360 1.55609 -2.83638 1.66033 -2.41579 -0.53206 1.67501 -0.21490 -2.37851 1.76389 -0.39972 -1.50124 2.46336 0.38183 0.45110 -1.86749 2.33417 -0.65869 1.53590 -2.60611 3.09132 -0.99727 1.14390 0.93076 3.12535 -1.01666 1.26334 -0.80307 -0.18291 -2.20446 0.77432 2.99923 -0.90102 -0.90519 -3.09509 0.96371 -2.80409 -0.61409 2.59845 0.59482 1.99330 0.00429 -1.31607 0.67913 2.71081 -0.80234 1.23296 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 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 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 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 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00010 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00005 -0.00006 -0.00004 -0.00000 0.00000 -0.00001 -0.00003 -0.00000 0.00007 -0.00002 0.00004 0.00011 0.00000 -0.00005 -0.00001 -0.00012 -0.00001 0.00007 0.00001 0.00001 -0.00005 0.00001 -0.00004 0.00000 -0.00001 0.00013 0.00000 0.00007 0.00000 0.00001 0.00004 -0.00000 0.00000 -0.00008 -0.00000 0.00001 -0.00016 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 0.00004 -0.00004 0.00001 0.00015 0.00004 -0.00023 -0.00002 -0.00005 -0.00014 0.00002 0.00001 -0.00009 -0.00007 0.00006 -0.00005 0.00002 -0.00009 0.00003 -0.00001 -0.00003 0.00000 -0.00004 -0.00004 0.00002 -0.00008 0.00003 0.00006 0.00017 -0.00021 -0.00001 0.00000 -0.00006 -0.00014 0.00007 0.00001 -0.00003 0.00011 -0.00001 0.00007 0.00000 -0.00000 0.00004 -0.00006 0.00007 0.00001 0.00001 -0.00004 0.00004 0.00004 0.00002 0.00000 0.00004 -0.00011 0.00008 -0.00002 0.00006 -0.00007 0.00006 0.00010 -0.00000 -0.00008 -0.00004 -0.00004 -0.00002 -0.00013 0.00002 -0.00006 -0.00004 0.00009 0.00006 0.00002 -0.00006 0.00015 -0.00003 0.00008 -0.00003 -0.00010 -0.00001 0.00010 -0.00005 -0.00005 0.00011 -0.00002 -0.00002 0.00004 0.00005 -0.00002 -0.00009 0.00011 -0.00116 -0.00105 -0.00117 -0.00083 -0.00072 -0.00085 0.00021 0.00016 0.00008 0.00003 0.00012 0.00008 0.00010 0.00005 -0.00013 -0.00018 0.00014 0.00009 -0.00004 0.00003 0.00004 -0.00004 -0.00031 0.00022 0.00019 -0.00000 -0.00004 0.00017 0.00042 0.00026 0.00013 0.00006 0.00000 0.00008 0.00000 -0.00005 -0.00022 -0.00020 -0.00008 -0.00005 -0.00003 0.00009 0.00034 0.00029 0.00041 0.00011 0.00006 0.00018 0.00015 0.00013 0.00018 0.00008 0.00006 0.00011 0.00017 0.00009 0.00008 0.00011 0.00004 0.00003 -0.00002 0.00003 0.00005 0.00009 -0.00009 -0.00008 -0.00015 -0.00013 -0.00004 -0.00018 -0.00004 -0.00012 -0.00026 -0.00012 0.00020 0.00021 0.00023 -0.00014 -0.00012 -0.00011 -0.00005 -0.00004 -0.00002 0.00031 0.00034 -0.00031 -0.00039 -0.00002 -0.00016 -0.00006 -0.00026 -0.00014 -0.00018 0.00024 0.00026 -0.00005 -0.00008 0.00002 -0.00010 0.00005 -0.00005 -0.00014 -0.00009 -0.00001 -0.00006 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00004 0.00012 0.00002 0.00000 -0.00000 -0.00010 0.00001 -0.00001 -0.00005 -0.00000 0.00009 -0.00002 -0.00001 0.00000 0.00000 0.00010 0.00000 -0.00000 -0.00001 -0.00004 0.00005 0.00008 0.00017 0.00001 0.00001 -0.00015 -0.00000 -0.00002 -0.00000 -0.00002 -0.00001 -0.00000 -0.00000 0.00005 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00003 -0.00000 0.00001 0.00004 0.00004 -0.00000 -0.00006 -0.00002 0.00003 0.00002 0.00002 0.00001 -0.00001 0.00002 0.00004 0.00010 -0.00003 0.00003 0.00006 -0.00002 -0.00003 0.00003 -0.00000 0.00000 -0.00002 -0.00002 -0.00001 0.00002 0.00009 -0.00006 -0.00003 0.00002 0.00001 0.00000 0.00006 0.00003 0.00000 0.00002 0.00001 -0.00006 -0.00000 -0.00005 0.00002 0.00005 -0.00000 -0.00001 -0.00003 0.00004 -0.00000 -0.00002 -0.00000 0.00004 0.00004 0.00002 -0.00007 -0.00002 -0.00001 0.00005 0.00002 0.00003 -0.00005 -0.00000 0.00006 -0.00006 0.00004 0.00001 -0.00007 0.00003 0.00002 0.00002 -0.00002 -0.00001 -0.00017 0.00005 0.00012 -0.00015 -0.00001 -0.00011 -0.00003 -0.00001 0.00012 0.00011 0.00008 -0.00003 0.00000 -0.00006 -0.00004 0.00009 0.00011 0.00003 0.00007 -0.00010 0.00037 0.00024 0.00026 -0.00017 -0.00029 -0.00028 0.00001 0.00004 -0.00003 -0.00000 0.00001 0.00003 0.00004 -0.00002 0.00006 -0.00000 0.00003 -0.00003 0.00005 0.00008 -0.00000 -0.00008 -0.00002 0.00016 0.00002 0.00022 0.00009 -0.00002 -0.00010 -0.00002 -0.00005 0.00005 0.00004 0.00003 0.00013 0.00012 -0.00038 -0.00041 -0.00039 0.00012 0.00009 0.00011 0.00039 0.00042 0.00048 -0.00008 -0.00005 0.00001 0.00008 0.00013 0.00009 0.00002 0.00007 0.00003 -0.00006 -0.00000 -0.00000 -0.00000 0.00005 0.00005 -0.00008 -0.00001 -0.00004 0.00003 -0.00000 -0.00010 -0.00000 -0.00010 -0.00003 0.00004 0.00004 -0.00006 0.00001 0.00000 0.00003 -0.00008 -0.00002 0.00014 0.00003 0.00009 0.00006 -0.00005 0.00001 -0.00005 -0.00004 -0.00005 -0.00004 -0.00007 -0.00003 -0.00010 0.00014 0.00011 0.00015 -0.00008 -0.00002 -0.00012 -0.00016 0.00001 0.00002 -0.00002 -0.00004 0.00005 0.00007 0.00014 0.00004 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00006 -0.00003 0.00000 0.00000 -0.00012 -0.00002 -0.00001 0.00002 -0.00002 0.00014 0.00008 -0.00000 -0.00005 -0.00001 -0.00002 -0.00001 0.00007 -0.00000 -0.00003 0.00000 0.00009 0.00013 0.00001 -0.00000 -0.00003 -0.00000 0.00005 0.00000 -0.00000 0.00002 -0.00001 -0.00000 -0.00003 0.00000 0.00001 -0.00018 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 -0.00001 0.00007 0.00001 0.00001 0.00009 0.00002 -0.00020 0.00000 -0.00003 -0.00014 0.00001 0.00003 -0.00005 0.00004 0.00003 -0.00003 0.00008 -0.00011 0.00001 0.00001 -0.00003 0.00001 -0.00007 -0.00006 0.00000 -0.00006 0.00012 -0.00000 0.00014 -0.00019 0.00000 0.00001 0.00001 -0.00011 0.00007 0.00004 -0.00002 0.00005 -0.00002 0.00002 0.00002 0.00004 0.00004 -0.00007 0.00004 0.00006 0.00001 -0.00006 0.00004 0.00008 0.00006 0.00002 -0.00003 -0.00012 0.00008 0.00002 0.00008 -0.00004 0.00001 0.00010 0.00006 -0.00014 0.00000 -0.00003 -0.00008 -0.00010 0.00004 -0.00004 -0.00007 0.00008 -0.00011 0.00007 0.00006 0.00000 -0.00004 -0.00002 -0.00006 -0.00011 0.00011 0.00021 0.00004 -0.00009 0.00011 -0.00008 -0.00006 0.00013 0.00016 0.00001 -0.00002 0.00001 -0.00079 -0.00080 -0.00091 -0.00100 -0.00102 -0.00112 0.00022 0.00019 0.00006 0.00003 0.00013 0.00011 0.00013 0.00002 -0.00007 -0.00018 0.00017 0.00006 0.00000 0.00011 0.00004 -0.00012 -0.00034 0.00038 0.00021 0.00022 0.00005 0.00015 0.00032 0.00024 0.00008 0.00010 0.00004 0.00011 0.00013 0.00007 -0.00060 -0.00061 -0.00047 0.00008 0.00006 0.00020 0.00074 0.00071 0.00089 0.00003 0.00001 0.00019 0.00022 0.00026 0.00027 0.00010 0.00013 0.00015 0.00011 0.00009 0.00008 0.00011 0.00009 0.00008 -0.00010 0.00002 0.00000 0.00012 -0.00010 -0.00018 -0.00015 -0.00023 -0.00007 -0.00014 -0.00001 -0.00018 -0.00025 -0.00012 0.00023 0.00013 0.00021 0.00001 -0.00009 -0.00001 0.00001 -0.00009 -0.00001 0.00026 0.00030 -0.00036 -0.00044 -0.00009 -0.00019 -0.00015 -0.00012 -0.00003 -0.00003 0.00017 0.00024 -0.00017 -0.00024 0.00002 -0.00007 0.00003 -0.00009 -0.00009 -0.00001 0.00014 3.31685 1.82015 1.81954 1.83875 1.81710 1.90068 1.82126 3.36652 3.35923 3.05214 1.84556 1.81833 3.22025 3.44957 1.83750 3.15962 1.85220 3.20775 3.39794 1.84816 3.29420 1.84595 3.46397 1.86578 3.29581 1.89727 1.91334 2.06622 3.09980 2.98360 1.86573 1.85754 2.56093 1.82034 3.48042 1.82054 1.86211 3.55736 1.82083 1.84723 3.63867 1.86758 1.85296 3.42744 1.84015 1.84142 1.88511 1.81960 1.85481 1.87175 2.17352 2.24901 1.85901 1.87299 1.93383 1.68628 2.00831 2.14730 1.78688 1.87700 1.96144 2.13180 2.78980 1.80523 1.84829 2.09515 1.86805 2.17298 2.23123 1.97708 1.88558 2.04364 1.83445 1.94611 1.85775 2.87111 1.87511 1.99008 2.01132 1.98839 2.14441 1.55150 1.87012 1.82125 2.05280 2.06862 1.85060 1.57611 1.86959 2.16586 1.90129 2.80169 1.86479 2.10913 1.70239 2.76069 1.77299 2.11186 1.83635 2.71879 1.94532 1.88562 1.82937 2.74465 1.55154 1.99521 2.11748 1.65228 2.20915 1.88333 1.79284 2.10350 1.81022 1.96514 1.89956 1.88002 3.03725 2.98597 3.36671 2.93987 2.95616 3.07896 3.01735 3.09111 3.08897 2.89309 3.16706 3.02673 3.06129 2.97109 3.13254 2.93935 2.99026 3.08539 3.02130 3.17825 3.17473 3.19459 2.97529 3.19861 3.03644 2.96781 -2.68240 -0.57589 1.50469 0.37615 2.48266 -1.71995 -2.24933 -0.06580 1.88301 -2.21665 -0.48811 1.69542 -1.86002 2.46515 2.16139 0.20337 0.35788 -1.60014 0.58846 2.60684 -1.38456 -2.93783 -0.54336 2.03934 -0.16365 -1.97662 2.10357 1.24417 -2.73304 -0.59237 0.53732 -0.98787 3.03425 2.49379 0.96860 -1.29246 -2.89553 1.75879 -0.58613 0.11155 -1.51731 2.42095 -1.74986 2.67533 0.49862 1.50768 -0.35032 -2.52703 -0.43796 -2.43006 1.79908 1.76562 -0.22648 -2.28052 -2.90561 -0.75594 1.13476 -0.59349 1.55618 -2.83630 1.66023 -2.41577 -0.53206 1.67513 -0.21500 -2.37869 1.76374 -0.39995 -1.50131 2.46322 0.38183 0.45092 -1.86774 2.33405 -0.65846 1.53603 -2.60590 3.09133 -0.99736 1.14389 0.93077 3.12527 -1.01667 1.26359 -0.80277 -0.18326 -2.20490 0.77423 2.99904 -0.90118 -0.90531 -3.09512 0.96368 -2.80392 -0.61386 2.59828 0.59458 1.99333 0.00422 -1.31604 0.67904 2.71072 -0.80235 1.23310 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.001040 0.000212 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.529840e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 2 3 4 4 4 4 5 6 6 6 7 10 10 12 12 13 14 14 14 15 16 16 17 17 17 18 19 20 20 20 23 23 26 26 26 29 29 29 32 32 34 35 35 38 38 41 41 42 43 45 10 12 5 8 22 28 35 7 9 21 23 11 39 13 44 38 15 33 46 26 23 41 18 19 25 41 32 21 22 25 24 46 27 28 31 30 31 36 33 34 38 36 37 39 40 42 44 1.7552 0.9632 0.9629 0.973 0.9616 1.0058 0.9638 1.7815 1.7776 1.6151 0.9766 0.9622 1.7041 1.8254 0.9724 1.672 0.9801 1.6974 1.7981 0.978 1.7432 0.9768 1.8331 0.9873 1.744 1.004 1.0125 1.0934 1.6403 1.5788 0.9873 0.983 1.3552 0.9633 1.8417 0.9634 0.9854 1.8825 0.9635 0.9775 1.9255 0.9883 0.9805 1.8138 0.9738 0.9744 0.9976 0.9629 0.9815 0.9905 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 42 42 43 5 5 5 8 8 22 7 7 9 6 2 2 11 3 3 13 15 15 33 18 18 19 17 21 21 22 7 7 7 16 16 24 15 15 15 27 27 28 4 30 30 31 26 19 19 33 32 5 5 36 29 13 13 13 34 34 39 16 16 16 18 18 42 1 1 1 4 4 4 4 4 4 6 6 6 7 10 10 10 12 12 12 14 14 14 17 17 17 19 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 28 29 29 29 31 32 32 32 34 35 35 35 36 38 38 38 38 38 38 41 41 41 41 41 41 43 45 45 8 22 28 22 28 28 9 21 21 23 11 39 39 13 44 44 33 46 46 19 25 25 32 22 25 25 16 24 46 24 46 46 27 28 31 28 31 31 26 31 36 36 29 33 34 34 38 36 37 37 35 34 39 40 39 40 40 18 42 44 42 44 44 124.5345 128.8578 106.5137 107.3101 110.7999 96.6163 115.0626 123.0303 102.3925 107.5443 112.3837 122.1507 159.843 103.4307 105.9022 120.0411 107.0298 124.5042 127.8354 113.2847 108.0353 117.0913 105.1078 111.5036 106.4453 164.506 107.4354 114.0265 115.2331 113.9264 122.8574 88.9057 107.1499 104.3495 117.6163 118.5293 106.0273 90.3022 107.1207 124.0921 108.9367 160.5237 106.8437 120.8417 97.538 158.1804 101.5824 120.9974 105.2144 155.7785 111.4559 108.0335 104.8114 157.2557 88.8983 114.3244 121.3186 94.6674 126.5706 107.9091 102.7216 120.516 103.7145 112.6023 108.8364 107.7191 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 4 12 14 23 17 6 4 17 14 10 1 12 14 4 12 14 23 17 6 4 17 14 10 1 12 5 13 15 16 18 21 22 25 33 39 42 44 46 5 13 15 16 18 21 22 25 33 39 42 44 35 38 26 41 41 20 20 20 32 38 41 41 23 35 38 26 41 41 20 20 20 32 38 41 41 1 4 6 2 2 1 2 2 1 4 3 5 3 1 4 6 2 2 1 2 2 1 4 3 5 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 174.0264 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 171.0893 192.8954 168.4444 169.3793 176.4069 172.8876 177.1034 176.9816 165.7619 181.4616 173.4202 175.4025 170.2373 179.4749 168.4004 171.3271 176.785 173.1014 182.1049 181.9023 183.0293 170.4622 183.2659 173.9762 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 43 43 43 45 45 45 5 5 8 8 28 28 8 8 22 22 28 28 5 8 22 9 21 7 7 9 9 6 6 6 2 2 2 11 11 11 3 3 3 44 44 44 3 3 3 13 13 13 15 15 15 33 33 33 33 33 33 46 46 46 15 15 46 46 18 18 19 19 19 19 19 25 25 25 7 7 7 24 24 24 46 46 46 18 25 17 17 15 27 31 15 27 28 30 36 30 31 19 33 32 32 32 5 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 7 7 7 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 17 17 19 19 26 26 26 26 26 26 29 29 29 29 32 32 34 34 34 35 41 41 41 41 41 41 20 20 20 20 20 20 35 35 35 35 35 35 28 28 28 7 7 20 20 20 20 23 23 23 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 20 20 20 20 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 19 19 32 32 28 28 28 31 31 31 31 31 36 36 34 34 38 38 38 36 16 18 44 16 18 44 21 25 21 25 21 25 36 37 36 37 36 37 26 26 26 23 23 22 25 22 25 16 24 46 13 34 40 13 34 40 34 39 40 34 39 40 16 18 42 16 18 42 7 16 24 7 16 24 27 28 31 27 28 31 19 34 19 34 21 22 21 22 16 42 44 16 42 44 18 42 44 18 42 44 18 42 44 32 32 33 34 4 4 4 29 29 29 26 26 35 35 38 38 13 39 40 29 -153.6446 -32.9497 86.2648 21.6092 142.3041 -98.4815 -128.8894 -3.7811 107.8852 -127.0065 -27.974 97.1344 -106.5787 141.2416 123.8422 11.6624 20.4951 -91.6846 33.7161 149.3548 -79.3318 -168.3182 -31.1132 116.8239 -9.3888 -113.2646 120.5226 71.277 -156.6098 -33.954 30.7819 -56.6065 173.8474 142.8778 55.4893 -74.0568 -165.8674 100.8067 -33.556 6.3871 -86.9388 138.6985 -100.3019 153.2445 28.5177 86.3817 -20.072 -144.7987 -25.1061 -139.2471 103.0642 101.1571 -12.9839 -130.6726 -166.4856 -43.3174 65.0125 -34.0108 89.1574 -162.5127 95.1298 -138.4145 -30.4849 95.9708 -12.3131 -136.2788 101.0633 -22.9024 -86.0145 141.1402 21.8774 25.8461 -106.9992 133.7379 -37.7403 88.0008 -149.3192 177.1196 -57.1393 65.5407 53.3284 179.0694 -58.2505 72.3838 -46.0124 -10.4797 -126.3065 44.3654 171.843 -51.6248 -51.8636 -177.3355 55.2164 -160.6622 -35.185 148.8802 34.0809 114.2078 0.2458 -75.4051 38.9116 155.3178 -45.9706 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0490921499 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5388,-3.932,-2.1906;-.9076,1.9788,1.9976;-4.5729,-.0155,-.4322;3.518,.4069,-.5208;3.0908,1.2704,-.8344;1.7413,-2.8562,1.1808;.7946,-2.8082,1.4122;4.4339,.4232,-.8116;2.0156,-3.7674,1.3029;-1.178,2.8956,1.8324;-.3384,3.3623,1.7271;-3.6364,-.0385,-.23;-3.3141,.884,-.275;-.0056,.3469,1.4286;.9229,.3481,1.7336;-1.4204,-2.3381,.6844;-.0439,-1.097,-2.1344;-.8245,-1.5577,-1.7093;-.1478,-.1254,-1.8932;2.0636,-1.7648,-1.1905;1.9756,-2.2308,-.3162;2.6464,-.9829,-1.0366;-.9177,-2.2966,1.5354;-1.5208,-2.5498,2.2381;.9546,-1.4461,-1.6935;2.6499,.7301,2.0271;3.1021,.2421,2.7191;3.1067,.5271,1.181;1.8018,3.4232,1.5566;2.2521,4.1521,1.9891;2.1644,2.6081,1.9391;-.201,1.2577,-1.104;-.1076,.946,-.1704;-1.0329,1.7722,-1.1069;2.2773,2.5611,-1.1321;2.1888,3.0747,-.3125;1.3738,2.2575,-1.3283;-2.5369,2.4839,-.3693;-2.1057,2.7527,.4899;-2.9992,3.2519,-.7129;-2.0979,-2.081,-.8345;-2.6075,-2.7855,-1.2903;-3.4146,-4.0359,-3.1363;-2.7178,-1.3175,-.6813;-3.8468,-4.7798,-1.8642;-.3637,-.5483,1.5721; 0.000000 7.707201 0.000000 4.415872 4.828643 0.000000 8.450553 5.329048 8.102385 0.000000 8.535526 4.950654 7.781214 1.013194 0.000000 6.356287 5.573186 7.109158 4.086537 4.786565 0.000000 5.746397 5.114226 6.325445 4.635772 5.191846 0.975741 0.000000 9.188728 6.232410 9.025466 0.961115 1.588216 4.687627 5.350856 0.000000 6.563767 6.484252 7.777898 4.796633 5.577078 0.959387 1.556520 5.280142 0.000000 8.268813 0.970036 5.012840 5.812300 5.289137 6.483009 6.049869 6.678054 7.407700 0.000000 8.876828 1.520333 5.831283 5.353450 4.764116 6.579783 6.281609 6.152938 7.520227 0.966337 0.000000 4.360360 4.059300 0.958359 7.174141 6.879948 6.232907 5.477405 8.104415 6.942592 4.348113 5.125711 0.000000 5.187801 3.486327 1.555134 6.853093 6.440829 6.454809 5.775816 7.780197 7.247772 3.612560 4.359537 0.978199 0.000000 6.625001 1.949463 4.945147 4.027316 3.944827 3.656853 3.255030 4.973258 4.585628 2.834324 3.048418 4.010277 3.759896 0.000000 7.322899 2.465627 5.918338 3.438041 3.484960 3.353058 3.175265 4.337120 4.279808 3.303461 3.267459 4.979181 4.719462 0.977277 0.000000 3.910753 4.541174 4.071799 5.777106 5.973176 3.242059 2.378414 6.643440 3.772469 5.363535 5.895117 3.321881 3.858497 3.124795 3.715811 0.000000 4.500551 5.223000 4.957750 4.189507 4.137682 4.155958 4.026152 4.910301 4.815371 5.741261 5.906247 4.201642 4.251572 3.844639 4.240778 3.373600 0.000000 3.638152 5.123864 4.249617 4.912166 4.908474 4.076987 3.732159 5.690414 4.692817 5.700827 6.020925 3.521759 3.770464 3.760867 4.305647 2.587253 1.001238 0.000000 5.106541 4.488119 4.661307 3.950312 3.682114 4.524933 4.360185 4.739537 5.306544 4.905874 5.030677 3.865763 3.696288 3.358225 3.811055 3.627588 1.006417 1.594695 0.000000 6.089594 5.745084 6.904910 2.698164 3.224070 2.630179 3.077827 3.247969 3.198394 6.431519 6.369423 6.032626 6.064086 3.949713 3.783615 3.997750 2.403796 2.941634 2.841062 0.000000 6.067603 5.602448 6.914072 3.062412 3.710932 1.639200 2.171562 3.651335 2.232535 6.390756 6.388551 6.025679 6.138778 3.689747 3.458464 3.542005 2.944447 3.199161 3.380626 0.994612 0.000000 6.948785 5.532526 7.308897 1.719648 2.305623 3.040574 3.571778 2.285332 3.691132 6.156268 5.952186 6.404433 6.292288 3.857287 3.523632 4.619248 2.907904 3.581970 3.045816 0.987308 1.589403 0.000000 4.840219 4.300244 4.736616 5.586722 5.865744 2.740230 1.791306 6.445490 3.289577 5.207140 5.691695 3.950563 4.374473 2.798401 3.228203 0.989215 3.958529 3.329007 4.130565 4.074411 3.435673 4.587307 0.000000 5.059247 4.576253 4.782164 6.460880 6.730629 3.442787 2.471802 7.321037 3.855237 5.471273 6.050865 4.107822 4.617648 3.367806 3.824177 1.571235 4.838502 4.129265 4.983014 5.021858 4.341796 5.526704 0.960067 0.000000 5.159152 5.368573 5.847260 3.373407 3.561038 3.296736 3.395021 4.046943 3.936046 5.985798 6.041001 5.020009 5.065843 3.726145 3.868462 3.477150 1.145948 1.782681 1.731882 1.258738 1.885508 1.873090 3.828057 4.775240 0.000000 8.821774 3.770331 7.666343 2.711077 2.945278 3.795210 4.042303 3.366764 4.599382 4.402194 3.993504 6.723285 6.394679 2.748912 1.792916 5.271019 5.283247 5.591596 4.891613 4.113564 3.835780 3.510087 4.704253 5.310098 4.631725 0.000000 9.253617 4.428778 8.300785 3.270603 3.699301 3.717238 4.041936 3.777805 4.388852 5.113321 4.749379 7.360935 7.109418 3.366609 2.394046 5.590185 5.936881 6.186106 5.654220 4.515637 4.074009 3.976584 4.899458 5.421957 5.189669 0.959943 0.000000 8.684081 4.346051 7.865918 1.754930 2.148177 3.648460 4.064951 2.396401 4.432623 4.938796 4.494983 6.912294 6.593405 3.127274 2.259693 5.380538 4.853392 5.306064 4.524181 3.459052 3.335777 2.722082 4.928900 5.656724 4.097300 0.982729 1.564257 0.000000 9.831689 3.101858 7.511114 4.044680 3.466011 6.290958 6.313982 4.640803 7.198256 3.038612 2.147790 6.689486 5.997868 3.570274 3.203125 6.658490 6.120644 6.509436 5.319325 5.876307 5.958723 5.181927 6.333385 6.868870 5.915367 2.862413 3.627896 3.198623 0.000000 10.786933 3.835052 8.355460 4.682836 4.120677 7.073276 7.134711 5.148720 7.952705 3.656388 2.720906 7.560494 6.840326 4.460002 4.037672 7.570505 7.058924 7.466322 6.255399 6.719810 6.792173 5.973207 7.199959 7.695043 6.825387 3.445248 4.067365 3.811018 0.959802 0.000000 9.610086 3.136346 7.609086 3.567742 3.215611 5.532878 5.611661 4.182225 6.408868 3.356408 2.622555 6.734918 6.155389 3.175324 2.586723 6.236157 5.932776 6.292713 5.244567 5.378393 5.342070 4.688568 5.806717 6.346219 5.576414 1.941691 2.661844 2.406864 0.970706 1.547337 0.000000 6.265356 3.261807 4.602870 3.859334 3.302764 5.090856 4.884103 4.718469 5.996509 3.501374 3.530416 3.774466 3.243225 2.698525 3.184705 4.197064 2.575059 2.946447 1.593338 3.777725 4.186666 3.623894 4.484761 5.235398 2.998913 4.267259 5.153417 4.085994 3.972325 4.895202 4.084034 0.000000 6.296712 2.531158 4.575117 3.682182 3.282677 4.438554 4.172870 4.616285 5.375377 2.992921 3.081004 3.664025 3.208742 1.710604 2.246002 3.638564 2.834632 3.024955 2.029192 3.619831 3.801780 3.472158 3.752334 4.474237 3.028254 3.532623 4.375719 3.511890 3.572826 4.528963 3.517802 0.988710 0.000000 6.323915 3.113922 4.022815 4.787271 4.162993 5.861044 5.537719 5.638529 6.766677 3.149998 3.323058 3.290324 2.585533 3.084789 3.731161 4.500417 3.204095 3.390342 2.236666 4.701664 5.069608 4.597082 4.852854 5.487051 3.827776 4.946792 5.837605 4.890870 4.225574 5.103033 4.494426 0.978181 1.554297 0.000000 8.781121 4.503102 7.352188 2.559997 1.554405 5.914736 6.123888 3.053601 6.785854 4.564977 3.957171 6.522604 5.900112 4.083114 3.865739 6.401182 4.446825 5.188374 3.698424 4.331613 4.870284 3.564498 6.396921 7.204583 4.257107 3.670400 4.570497 3.189868 2.863322 3.503424 3.073666 2.800279 3.036708 3.403013 0.000000 9.242618 4.015614 7.435341 2.987865 2.083600 6.132342 6.287069 3.510037 7.032323 3.995935 3.260282 6.605443 5.923025 3.909949 3.636351 6.581652 5.070208 5.700000 4.266071 4.920111 5.309829 4.147056 6.474190 7.204303 4.885527 3.344132 4.248281 3.092411 1.940314 2.542100 2.299583 3.104649 3.134510 3.564650 0.971272 0.000000 7.949020 4.042731 6.429040 2.945247 2.041158 5.707937 5.788573 3.605050 6.605656 4.111936 3.672537 5.619608 4.997191 3.626780 3.636472 5.742639 3.729917 4.419675 2.883228 4.083395 4.640260 3.493613 5.847300 6.648935 3.745167 3.901257 4.840439 3.506210 3.140788 3.919960 3.379920 1.878739 2.292453 2.465048 0.973178 1.537471 0.000000 6.744212 2.917532 3.224328 6.403009 5.775777 7.015843 6.502243 7.282485 7.912016 2.619827 3.162296 2.755142 1.781195 3.769197 4.577520 5.060458 4.706768 4.589332 3.852098 6.315877 6.526449 6.271456 5.394672 5.759303 5.421170 5.976701 6.808961 6.171065 4.838950 5.592868 5.238949 2.738628 2.882025 1.820085 4.874916 4.762825 4.032900 0.000000 7.343276 2.075426 3.821053 6.176567 5.563654 6.836355 6.339228 7.063075 7.756092 1.638040 2.241797 3.263751 2.353174 3.328569 4.062108 5.140336 5.094931 5.005691 4.218556 6.372937 6.491727 6.234397 5.291419 5.613811 5.635833 5.391548 6.196206 5.709560 4.105551 4.816303 4.511626 2.898924 2.773518 2.159230 4.677467 4.380661 3.956986 0.998240 0.000000 7.354078 3.652694 3.637463 7.113645 6.405326 7.960279 7.458772 7.953743 8.858953 3.149918 3.611869 3.386114 2.428547 4.688967 5.458873 5.974303 5.446751 5.371536 4.574878 7.143284 7.413905 7.064776 6.338165 6.674860 6.218109 6.765955 7.619863 6.949239 5.313080 5.973909 5.840384 3.458277 3.737952 2.492170 5.338014 5.206403 4.526589 0.959955 1.579332 0.000000 2.709492 5.091081 3.248638 6.150262 6.176886 4.404723 3.734057 6.995387 4.932905 5.720541 6.267966 2.627588 3.253145 3.923505 4.649806 1.682977 2.622395 1.631062 2.957622 4.188595 4.109085 4.873917 2.656298 3.161336 3.233929 6.215497 6.713033 6.160505 7.156882 8.108477 6.917205 3.849382 3.683017 4.006933 6.385926 6.725248 5.578413 4.609459 5.011822 5.409817 0.000000 1.729822 6.033071 3.503121 6.950161 7.009166 5.002294 4.344907 7.752797 5.390917 6.638456 7.214524 3.119118 3.872327 4.896326 5.605968 2.347129 3.183683 2.204985 3.672771 4.782313 4.718198 5.560336 3.328518 3.699476 3.826844 7.141750 7.605330 7.052113 8.129857 9.083026 7.892469 4.708885 4.628972 4.825535 7.243811 7.635589 6.425257 5.349730 5.838862 6.077532 0.981719 0.000000 0.959494 8.295665 4.981690 8.639408 8.704890 6.827270 6.317691 9.321271 7.018963 8.816777 9.372820 4.947241 5.692292 7.188065 7.858048 4.632234 4.582876 3.858279 5.244858 6.241315 6.345493 7.103891 5.575352 5.888904 5.279967 9.281881 9.749569 9.054659 10.240713 11.199361 10.051262 6.517652 6.674701 6.597356 8.940653 9.483258 8.111995 7.136834 7.806897 7.691361 3.294481 2.371217 0.000000 3.128513 4.617198 2.280065 6.471762 6.360800 5.071296 4.352221 7.361605 5.687179 5.141934 5.776045 1.638114 2.316682 3.818083 4.675498 2.142447 3.051218 2.167636 3.081264 4.829132 4.795356 5.386352 3.018730 3.387411 3.811446 6.351360 6.918525 6.387076 6.921617 7.857993 6.790627 3.625559 3.492439 3.544898 6.340175 6.595573 5.471740 3.818445 4.279330 4.578108 0.995306 1.593128 3.728582 0.000000 0.959251 8.320508 5.027546 9.107500 9.262594 6.648232 6.013715 9.836109 6.739725 8.927432 9.565625 5.019458 5.906574 7.202815 7.873361 4.283148 5.300811 4.420428 5.945272 6.669076 6.541728 7.567261 5.128720 5.216546 5.847711 9.365294 9.721829 9.262167 10.530822 11.481514 10.255801 7.093779 7.045222 7.170824 9.588026 10.026439 8.778707 7.530731 8.081572 8.157919 3.376793 2.417144 1.535704 3.829056 0.000000 5.973972 2.619696 4.692399 4.512216 4.586122 3.148095 2.544513 5.444511 4.011985 3.548376 3.913771 3.770676 3.764014 0.974761 1.576375 2.260048 3.760537 3.463889 3.497673 3.873433 3.445175 4.006875 1.834307 2.405956 3.634281 3.305001 3.735264 3.654166 4.523544 5.395430 4.060653 3.232622 2.309712 3.606917 4.894514 4.815907 4.393583 4.205463 3.886116 5.158286 3.338918 4.270008 6.606084 3.348307 6.468857 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.6671,-.3326,-.638;1.2882,2.1401,1.5777;-3.2301,3.2353,.2735;2.5426,-2.2736,-1.1323;2.7512,-1.3861,-1.5742;-.4131,-3.167,1.5445;-.9616,-2.4415,1.898;3.0974,-2.9359,-1.5534;-.8108,-3.9895,1.8371;1.6807,2.9612,1.2419;2.5402,2.6777,.9032;-2.5522,2.5604,.3318;-1.7192,2.9679,.0205;.6387,.3257,1.2839;1.3559,-.3205,1.4362;-2.3515,-.5711,1.4219;-1.3478,-.863,-1.7856;-2.0751,-.5985,-1.1504;-.693,-.0989,-1.7696;-.1058,-2.7809,-1.0389;-.2412,-2.9896,-.076;.8641,-2.6459,-1.1652;-1.7467,-.8517,2.1527;-2.1358,-.5537,2.9782;-.7833,-1.7948,-1.4301;2.8721,-1.2749,1.3665;3.0394,-1.8968,2.0783;2.8125,-1.7938,.534;3.9922,1.1765,.4023;4.9126,1.3862,.576;3.7914,.3729,.9085;.4265,.9476,-1.3334;.5355,.7198,-.3775;.2082,1.9011,-1.3331;2.991,.0761,-2.0442;3.5048,.5454,-1.3666;2.1157,.5008,-2.0239;-.1302,3.5174,-.5677;.5823,3.4465,.1277;-.0186,4.3618,-1.0104;-3.0566,.0024,.0055;-4.0071,-.1493,-.1874;-5.9134,-.5503,-1.5395;-2.9186,.9863,.0644;-6.3623,-.6817,-.0767;-.1731,-.0313,1.6885; 0.3414730 0.2277214 0.1804907 -19.26544 -19.26490 -19.25843 -19.25605 -19.24929 -19.24921 -19.24902 -19.24880 -19.24637 -19.24383 -19.24280 -19.24043 -19.24015 -19.22573 -19.22554 -1.17873 -1.15885 -1.15470 -1.15246 -1.14990 -1.14255 -1.13961 -1.13817 -1.13711 -1.13085 -1.12744 -1.12245 -1.12010 -1.11153 -1.11051 -0.68652 -0.68113 -0.67876 -0.67777 -0.67634 -0.66967 -0.66685 -0.66467 -0.66373 -0.66157 -0.65722 -0.65575 -0.65491 -0.65271 -0.63747 -0.63247 -0.57447 -0.56867 -0.55964 -0.54874 -0.54472 -0.53341 -0.52676 -0.52128 -0.51609 -0.51163 -0.50835 -0.50050 -0.49196 -0.49031 -0.47644 -0.45835 -0.45814 -0.45549 -0.45345 -0.45115 -0.44661 -0.44597 -0.44492 -0.44399 -0.44283 -0.43954 -0.43515 -0.42415 -0.42196 -0.11928 -0.10101 -0.08681 -0.08402 -0.06835 -0.05825 -0.05625 -0.04768 -0.03933 -0.02673 -0.02122 -0.01358 -0.00511 -0.00052 0.00193 0.00588 0.01163 0.01439 0.02005 0.02191 0.02569 0.03650 0.03798 0.04293 0.04371 0.05299 0.05668 0.05717 0.06549 0.06841 0.07036 0.07684 0.08059 0.08273 0.08517 0.08660 0.09533 0.09863 0.10272 0.10837 0.10915 0.11541 0.11882 0.12080 0.12376 0.12794 0.13089 0.13256 0.14103 0.14268 0.14363 0.14624 0.15009 0.15534 0.15630 0.15893 0.16172 0.16637 0.16960 0.17193 0.17576 0.17895 0.18122 0.18237 0.18689 0.19477 0.19768 0.20098 0.21357 0.21741 0.22334 0.23222 0.24009 0.24338 0.24832 0.26687 0.27374 0.27684 0.29572 0.30945 0.32256 0.32921 0.33137 0.34198 0.34345 0.34817 0.35598 0.36490 0.37082 0.38249 0.39138 0.40124 0.40187 0.41636 0.42257 0.42793 0.43309 0.43919 0.44718 0.45089 0.45786 0.45992 0.46700 0.47808 0.48247 0.49073 0.49436 0.50358 0.50618 0.50984 0.51701 0.52650 0.53799 0.54257 0.54737 0.56168 0.56553 0.58180 0.58387 0.59473 0.60603 0.63834 0.80010 0.80618 0.81499 0.82619 0.83098 0.84400 0.84951 0.85925 0.86713 0.87150 0.87940 0.88892 0.88992 0.90028 0.90257 0.91008 0.91211 0.91762 0.92175 0.92719 0.92898 0.94037 0.94652 0.95523 0.95849 0.96072 0.96861 0.97568 0.97802 0.98591 0.99293 0.99474 1.00039 1.00628 1.00808 1.00962 1.01790 1.02570 1.03899 1.05264 1.05766 1.06434 1.07231 1.09454 1.10557 1.11195 1.13159 1.14137 1.14225 1.15969 1.16366 1.17664 1.18071 1.18730 1.18896 1.19357 1.20679 1.21476 1.21852 1.22821 1.23162 1.23613 1.24486 1.24776 1.24869 1.25482 1.27039 1.28378 1.29464 1.29947 1.30481 1.30896 1.32421 1.33406 1.33882 1.34440 1.36342 1.36858 1.38751 1.39330 1.40372 1.41499 1.41754 1.42228 1.43525 1.44166 1.44653 1.45525 1.46353 1.47177 1.48235 1.48947 1.49307 1.49558 1.50691 1.51551 1.52329 1.52968 1.54253 1.55743 1.56417 1.56649 1.58544 1.59411 1.61227 1.61307 1.63359 1.64973 1.65563 1.65975 1.66751 1.67865 1.69324 1.70233 1.70826 1.73294 1.73698 1.75223 1.77630 1.79319 1.82095 1.85434 1.91566 1.91930 1.92495 1.92705 1.93456 1.93662 1.94026 1.97276 2.01647 2.06147 2.09490 2.10457 2.11459 2.12132 2.14627 2.15503 2.16237 2.17281 2.18177 2.20220 2.21075 2.22316 2.23650 2.24469 2.25722 2.26249 2.27653 2.28466 2.29568 2.31648 2.34146 2.35527 2.37339 2.40566 2.42677 2.43213 2.44318 2.44690 2.46708 2.47833 2.49978 2.53718 2.54210 2.55629 2.57105 2.57482 2.59009 2.60948 2.61989 2.63347 2.63519 2.66368 2.67753 2.68387 2.70328 2.72144 2.72911 2.75397 2.76928 2.78428 2.79796 2.85164 2.95311 2.96279 2.96750 2.97098 2.98237 2.98778 2.99656 3.00050 3.00524 3.00810 3.01158 3.01792 3.02439 3.03011 3.03257 3.03683 3.04190 3.04512 3.04808 3.05524 3.05912 3.06499 3.07637 3.08399 3.10450 3.11626 3.12216 3.16907 3.17824 3.17933 3.18110 3.19110 3.19418 3.19784 3.19963 3.21035 3.21731 3.22394 3.23453 3.24079 3.24471 3.25307 3.26804 3.28432 3.49425 3.54201 3.55825 3.56028 3.57085 3.59124 3.60823 3.61101 3.61910 3.62913 3.64124 3.64752 3.65393 3.66237 3.68484 3.74106 3.76847 3.77298 3.77724 3.79275 3.80409 3.80630 3.81563 3.82044 3.82627 3.83137 3.83631 3.84664 3.85812 3.87643 3.89095 4.81667 4.85838 4.86833 4.89183 4.89755 4.90916 4.91380 4.92330 4.93210 4.94136 4.94772 4.95173 4.99303 5.03228 5.07494 5.24442 5.25073 5.26539 5.28584 5.29684 5.31118 5.32332 5.34672 5.36502 5.36746 5.38193 5.40113 5.40762 5.43638 5.49933 5.54151 5.54579 5.55347 5.55656 5.56617 5.57159 5.57909 5.58341 5.59336 5.60512 5.61988 5.62591 5.62908 5.66340 5.85374 49.73827 49.76621 49.77078 49.77541 49.79189 49.79552 49.79763 49.80538 49.81982 49.82917 49.83102 49.84031 49.85201 49.86295 49.87647 1-A. -4.1336 -1.8855 2.4447 5.1593 -10.1989 -61.4254 -88.0444 -2.6973 4.3410 -13.3567 43.0240 -8.2025 -34.8215 -2.6973 4.3410 -13.3567 -205.6588 16.5700 47.3588 -5.2356 -47.2952 6.2080 -32.0405 -29.0440 -12.3468 8.3558 -1021.2470 -1648.4744 -996.7428 304.8010 338.8277 -168.6585 -267.2700 12.4277 -72.8088 -755.6126 -674.3371 -509.6476 51.0115 -84.0970 -33.0985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0575,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; 0.000000 7.763846 0.000000 4.748621 4.709589 0.000000 8.579200 5.282482 8.226828 0.000000 8.643706 4.887644 7.876886 1.005803 0.000000 6.273923 5.581053 7.125617 4.303683 4.962987 0.000000 5.691268 5.149078 6.345642 4.860789 5.380386 0.976627 0.000000 9.297002 6.198499 9.148312 0.963774 1.586618 4.923981 5.587471 0.000000 6.556131 6.485624 7.848690 5.008088 5.752745 0.962216 1.564035 5.516149 0.000000 8.351705 0.973019 4.908596 5.735026 5.195462 6.495730 6.091373 6.608989 7.414414 0.000000 8.982925 1.527017 5.783510 5.264962 4.671817 6.602757 6.333361 6.074289 7.527031 0.972369 0.000000 4.536870 4.080955 0.961574 7.275177 6.934915 6.331478 5.607878 8.192819 7.096557 4.358736 5.168944 0.000000 5.390242 3.533931 1.561207 6.980162 6.525739 6.599022 5.949802 7.893533 7.435950 3.638645 4.427024 0.980149 0.000000 6.693764 1.927718 4.931261 4.055009 3.958957 3.680033 3.314704 5.010429 4.606384 2.820104 3.038662 4.111416 3.902477 0.000000 7.403948 2.429386 5.909112 3.463315 3.494706 3.437723 3.294590 4.379994 4.340917 3.259838 3.211112 5.083168 4.853635 0.978006 0.000000 3.945743 4.508909 4.062790 5.949048 6.104632 3.257173 2.401867 6.818443 3.847752 5.343291 5.898531 3.420905 3.986123 3.148464 3.781642 0.000000 4.510870 5.148081 5.073488 4.323350 4.238730 4.215306 4.110103 5.026845 4.950576 5.666591 5.877156 4.175283 4.280406 3.843417 4.272956 3.436884 0.000000 3.650387 5.075964 4.383245 5.048859 5.013118 4.102621 3.785857 5.811510 4.798164 5.660215 6.022289 3.533523 3.840873 3.777343 4.353173 2.644275 1.003992 0.000000 5.133572 4.399584 4.731365 4.089699 3.796146 4.603335 4.457357 4.862133 5.442946 4.814882 4.997175 3.796769 3.684289 3.358299 3.843583 3.671579 1.012511 1.600962 0.000000 6.109309 5.611676 6.983071 2.759155 3.244317 2.685682 3.154370 3.317480 3.329941 6.294545 6.246085 6.055051 6.120965 3.860508 3.719311 4.067117 2.447498 2.976009 2.873925 0.000000 6.071644 5.527563 6.994908 3.159453 3.768468 1.704145 2.263952 3.755161 2.361177 6.314471 6.319111 6.100387 6.248538 3.646181 3.446051 3.628788 2.992089 3.239276 3.430262 0.987292 0.000000 6.988572 5.413133 7.391997 1.781476 2.336207 3.123682 3.669769 2.357358 3.813293 6.029878 5.835456 6.440525 6.364585 3.783427 3.461688 4.698054 2.983429 3.643731 3.122244 0.982970 1.588253 0.000000 4.869974 4.264275 4.687942 5.742609 5.979788 2.762825 1.825441 6.611572 3.354105 5.180275 5.677125 4.057160 4.503006 2.807166 3.285588 0.987332 4.009313 3.372023 4.164495 4.122796 3.511663 4.642770 0.000000 5.111400 4.574504 4.719272 6.615191 6.845660 3.453603 2.483589 7.487622 3.894539 5.477512 6.059974 4.254329 4.773065 3.401188 3.894629 1.569599 4.895976 4.182208 5.023164 5.072250 4.417379 5.581336 0.963286 0.000000 5.121152 5.250221 5.886038 3.527188 3.658544 3.399545 3.506895 4.194633 4.119018 5.861277 5.955080 4.964448 5.055669 3.680721 3.875099 3.526078 1.093396 1.734446 1.687459 1.355199 1.975057 1.984582 3.876423 4.826415 0.000000 8.975447 3.704642 7.681023 2.726472 2.920024 4.070480 4.321201 3.415121 4.830706 4.288119 3.826775 6.836602 6.514265 2.781977 1.833067 5.440907 5.390650 5.716473 4.981528 4.158235 3.954878 3.530612 4.876597 5.484380 4.753267 0.000000 9.480696 4.362542 8.343821 3.309320 3.686834 4.091468 4.406639 3.850409 4.713207 4.988924 4.553506 7.527358 7.267555 3.417564 2.444404 5.829634 6.108594 6.377419 5.793737 4.639654 4.278910 4.057812 5.144156 5.664394 5.390037 0.963386 0.000000 8.857925 4.307103 7.952269 1.777600 2.140912 3.927934 4.347413 2.440572 4.671530 4.858237 4.374019 7.055484 6.750457 3.179249 2.308363 5.579714 5.004894 5.469635 4.667343 3.534052 3.473551 2.773578 5.119417 5.843667 4.265548 0.985390 1.567812 0.000000 9.938679 3.039596 7.432883 4.105630 3.523662 6.473645 6.496477 4.728677 7.353907 2.907328 1.987071 6.687890 6.009185 3.607929 3.241496 6.728519 6.186373 6.581684 5.379757 5.894008 6.029487 5.217100 6.395986 6.931449 5.969827 2.813496 3.526489 3.206980 0.000000 10.895412 3.783509 8.253269 4.755998 4.191752 7.275720 7.329569 5.256414 8.123834 3.532683 2.574783 7.547671 6.835100 4.500892 4.081774 7.641241 7.133185 7.543913 6.322289 6.755765 6.880239 6.027683 7.265083 7.756911 6.895773 3.403463 3.953936 3.821824 0.963543 0.000000 9.729696 3.104236 7.570419 3.594240 3.231180 5.725751 5.810924 4.236523 6.566257 3.266073 2.490130 6.788334 6.223236 3.224787 2.634423 6.335704 6.004481 6.376949 5.311690 5.384646 5.408028 4.698917 5.901129 6.444902 5.639628 1.882458 2.550456 2.391359 0.977510 1.558774 0.000000 6.301967 3.183026 4.590194 3.993500 3.426677 5.194724 5.001762 4.840566 6.129841 3.410783 3.518081 3.675129 3.190083 2.729770 3.241582 4.223837 2.568782 2.947090 1.578788 3.783225 4.230634 3.678354 4.508479 5.266284 2.957792 4.344737 5.254435 4.220341 4.048957 4.973511 4.169050 0.000000 6.344593 2.432734 4.527390 3.813151 3.392039 4.552888 4.302937 4.741141 5.508165 2.886306 3.041555 3.607719 3.195750 1.743240 2.311552 3.670282 2.841495 3.038597 2.023809 3.621262 3.851411 3.513406 3.781685 4.510843 3.006183 3.622470 4.487771 3.654682 3.635782 4.592743 3.601065 0.988279 0.000000 6.420689 3.075348 4.031782 4.906378 4.265875 5.981364 5.676795 5.743961 6.916985 3.091024 3.348029 3.201914 2.529341 3.161728 3.812582 4.559237 3.226337 3.430880 2.246894 4.725139 5.134171 4.657405 4.905787 5.549105 3.803535 5.015123 5.924844 5.012808 4.274188 5.145422 4.563460 0.980540 1.564216 0.000000 8.822033 4.335053 7.312717 2.608640 1.615139 6.044180 6.250962 3.127061 6.925739 4.356278 3.776848 6.424926 5.826312 4.021965 3.815357 6.428563 4.466667 5.206781 3.715636 4.326073 4.898613 3.594189 6.411261 7.218637 4.267515 3.598016 4.506265 3.176953 2.848550 3.516457 3.031431 2.810826 3.019104 3.377875 0.000000 9.297461 3.857812 7.358378 3.066575 2.169672 6.295826 6.443425 3.617749 7.193852 3.780337 3.060162 6.513232 5.847393 3.876531 3.616894 6.618633 5.103494 5.732007 4.292661 4.935159 5.366870 4.196085 6.502581 7.230608 4.915431 3.288906 4.183781 3.104977 1.925518 2.557022 2.270897 3.128639 3.135211 3.542573 0.973765 0.000000 7.989490 3.891973 6.402334 3.021934 2.129002 5.821736 5.906123 3.687898 6.737558 3.929122 3.540949 5.515346 4.921686 3.583988 3.610336 5.765439 3.739936 4.431024 2.891632 4.074240 4.665578 3.526726 5.858199 6.662146 3.732642 3.871139 4.823391 3.539931 3.157330 3.953735 3.379420 1.884135 2.268829 2.439540 0.974440 1.543662 0.000000 6.963994 2.973184 3.265568 6.503668 5.845928 7.176631 6.690778 7.368333 8.100016 2.642533 3.239786 2.770528 1.798070 3.914515 4.698959 5.189053 4.768604 4.691405 3.885630 6.365810 6.629427 6.337997 5.515055 5.898467 5.429633 6.039904 6.885067 6.280557 4.823863 5.554277 5.275793 2.737751 2.901609 1.813815 4.789320 4.662899 3.960487 0.000000 7.539793 2.152633 3.802991 6.241236 5.597961 6.986331 6.518018 7.118631 7.920730 1.671989 2.317079 3.297624 2.388682 3.466453 4.169626 5.251423 5.132241 5.082962 4.228043 6.387937 6.567665 6.263073 5.398491 5.743903 5.625301 5.425446 6.234244 5.784142 4.061148 4.749555 4.525797 2.882289 2.775133 2.139977 4.555235 4.243942 3.851967 0.997553 0.000000 7.597302 3.732315 3.715678 7.211834 6.477190 8.125548 7.650709 8.034388 9.051744 3.209140 3.722567 3.405028 2.441333 4.838449 5.582884 6.107314 5.518764 5.483635 4.622188 7.199965 7.521062 7.138371 6.461466 6.817062 6.232518 6.819615 7.679506 7.050733 5.298150 5.929580 5.874970 3.477785 3.770396 2.509633 5.261708 5.110077 4.470697 0.962890 1.585249 0.000000 2.735686 5.081596 3.346201 6.308588 6.296120 4.435160 3.786741 7.143608 5.040297 5.719475 6.302555 2.680457 3.350733 3.978300 4.735068 1.744034 2.632629 1.640300 2.955290 4.244085 4.181211 4.947745 2.711849 3.230658 3.218087 6.378818 6.947400 6.355620 7.232862 8.185047 7.021795 3.841233 3.695516 4.037079 6.397345 6.748706 5.581117 4.726233 5.114751 5.532745 0.000000 1.755176 6.033209 3.666214 7.102036 7.123751 5.002988 4.365737 7.893047 5.476704 6.650466 7.258850 3.195057 3.983031 4.948031 5.685183 2.396557 3.192323 2.211677 3.673478 4.837740 4.779180 5.630787 3.376801 3.765127 3.808413 7.302515 7.842262 7.242228 8.206096 9.159940 7.995056 4.703001 4.642472 4.860606 7.258399 7.661062 6.431728 5.478943 5.952959 6.216542 0.981523 0.000000 0.963184 8.363429 5.250315 8.886091 8.915867 6.892622 6.396190 9.552969 7.175966 8.896440 9.493859 5.041311 5.827209 7.312633 8.011855 4.744796 4.693144 3.962150 5.345939 6.411417 6.497567 7.285230 5.687123 6.002479 5.367823 9.525369 10.074904 9.332771 10.401394 11.361138 10.234966 6.597791 6.771941 6.706114 9.060338 9.606426 8.219700 7.315086 7.972729 7.879235 3.364088 2.434159 0.000000 3.189872 4.643446 2.378008 6.626618 6.479611 5.121304 4.426311 7.504004 5.800467 5.175211 5.846918 1.697397 2.425461 3.909713 4.785715 2.200415 3.048743 2.172736 3.065938 4.872669 4.866110 5.454231 3.081613 3.470844 3.778072 6.514136 7.142000 6.581091 7.001397 7.934609 6.904184 3.611912 3.505348 3.570715 6.341236 6.608573 5.465612 3.945992 4.398710 4.710267 0.990490 1.592555 3.773852 0.000000 0.962859 8.382436 5.266045 9.312065 9.432457 6.648248 6.026867 10.029426 6.822179 9.006572 9.672009 5.163448 6.073460 7.300748 7.997257 4.356608 5.373318 4.487573 6.012518 6.785289 6.644376 7.692212 5.204622 5.301258 5.898307 9.583077 10.023394 9.505333 10.662208 11.613357 10.412165 7.149665 7.116978 7.266246 9.668497 10.114832 8.850745 7.720956 8.258651 8.361203 3.433684 2.475541 1.543387 3.882318 0.000000 6.058928 2.611062 4.709837 4.562107 4.619586 3.131166 2.568228 5.500959 4.004170 3.551465 3.913028 3.930735 3.957938 0.976840 1.581858 2.295240 3.785322 3.504918 3.522925 3.804902 3.408161 3.951140 1.841731 2.442266 3.613128 3.366495 3.828738 3.730398 4.560334 5.433189 4.110689 3.276817 2.354593 3.701531 4.855741 4.799544 4.372301 4.383825 4.049953 5.339172 3.424927 4.349343 6.752520 3.476304 6.585434 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.7367,-.3275,-.6364;1.339,1.9676,1.5874;-3.047,3.3807,.6144;2.5856,-2.3261,-1.2258;2.7802,-1.4232,-1.6241;-.6157,-3.2591,1.495;-1.1395,-2.5356,1.8897;3.1112,-2.9726,-1.7104;-.9677,-4.089,1.8315;1.7798,2.7745,1.2691;2.6506,2.4557,.9764;-2.4698,2.6767,.3049;-1.6269,3.0957,.0318;.6508,.1905,1.2973;1.3733,-.4561,1.4252;-2.4071,-.539,1.4704;-1.4026,-.7623,-1.8088;-2.1291,-.5212,-1.1592;-.7371,-.0011,-1.7548;-.1401,-2.734,-1.0956;-.3101,-3.0094,-.1628;.8327,-2.6431,-1.2032;-1.7991,-.8583,2.1797;-2.1765,-.5836,3.0223;-.8682,-1.6635,-1.4962;2.9707,-1.3449,1.2886;3.2259,-1.9442,1.9984;2.9145,-1.8801,.4632;4.0338,1.1253,.4615;4.9519,1.348,.6507;3.8508,.275,.9077;.3871,1.0071,-1.2941;.5092,.7493,-.3479;.223,1.9737,-1.2783;2.9685,.1388,-1.9893;3.4895,.603,-1.3101;2.0914,.5625,-1.9632;.0107,3.6031,-.5104;.7288,3.4671,.1685;.1568,4.4579,-.9288;-3.1102,.0913,.004;-4.0615,-.0486,-.1928;-6.0684,-.3332,-1.5406;-2.9565,1.0675,.0706;-6.4824,-.5514,-.0699;-.1551,-.1699,1.7156; 0.3383362 0.2228400 0.1765309 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= 522 522 522 522 522 MxSgAt= 46 MxSgA2= 46. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.28D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 522 519 520 522 522 MxSgAt= 46 MxSgA2= 46. 1 -1.62627547e+00 -7.41813175e-01 9.61835905e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 1 0.001277363 0.002677777 0.002096488 0.001446945 -0.003079450 0.000878296 -0.003957238 0.000095110 -0.000121361 -0.000782101 -0.001345353 0.000322209 0.000982714 0.000305011 -0.000304787 0.001302654 0.001665708 -0.001185660 -0.003155074 -0.000243265 0.001538399 0.002955052 -0.000059901 -0.000836935 0.001359982 -0.003296786 0.001437754 -0.002315881 0.000309767 -0.000266563 0.003984312 0.001972382 0.000383160 0.002326106 -0.001351933 0.000318099 0.000086431 0.003189030 -0.000175607 -0.001522768 0.002325818 -0.000671503 0.002013966 -0.000287108 0.001609545 -0.001443074 -0.000844700 -0.000905849 -0.001226052 0.000048708 -0.001949996 0.000821681 0.000253388 -0.000419328 -0.000169341 -0.001069781 -0.000301164 0.002526988 -0.000979164 0.000380820 0.000237671 0.000431923 -0.000484636 0.000557605 0.000254979 0.000214351 0.003265331 0.001958645 -0.000069748 -0.001912985 -0.001305036 0.002329121 -0.001177145 0.000329894 -0.000681795 -0.003583761 0.003175893 -0.000959550 0.001598286 -0.001230522 0.002533335 0.002131177 -0.000994125 -0.001318961 -0.004099058 -0.000329063 -0.004135691 0.001492899 0.002948321 0.001954971 0.002049002 -0.003605388 0.002377823 0.001350585 0.001064844 -0.000783017 -0.000658326 0.000110309 0.000721678 -0.001274611 0.001178337 -0.000336871 0.000890236 -0.000096382 -0.001231820 -0.000917125 0.002279198 0.002310724 -0.002736493 -0.000076789 -0.000629028 0.000959204 -0.002753932 -0.000860409 -0.000234189 0.001671416 0.000670660 -0.001933361 0.002280542 -0.001066272 0.000139127 -0.000353292 -0.000415586 -0.000436505 -0.000108940 -0.000061176 0.000065041 -0.000307505 -0.004243794 -0.000372986 -0.000940543 0.000121179 -0.001788130 -0.003494815 0.001439512 -0.000124155 -0.002373231 0.000778981 0.004243794 0.001703614 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.55537790145 -1147.55537825696 -0.000000355503 -1147.55537825849 -0.000000001536 -1147.55537826085 -0.000000002355 -1147.55537826089 -0.000000000037 -1147.55537826095 -0.000000000060 -1147.55537826 6 1.143862809220e+03 -5.610685357731e+03 1.862316763560e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT43735.700S Tue Nov 5 11:54:43 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.612079 0.299551 0.308675 -0.782278 0.433899 -0.677113 0.380512 0.323497 0.313530 -0.565796 0.321791 -0.698431 0.412928 -0.767001 0.372597 0.396506 -0.644279 0.418412 0.426773 -0.637219 0.402739 0.380459 -0.728808 0.314564 0.498563 -0.674493 0.313497 0.357971 -0.670975 0.316773 0.349895 -0.854656 0.430084 0.431112 -0.612589 0.331747 0.350667 -0.784305 0.420326 0.327465 -0.912243 0.526517 0.300908 0.447546 0.304577 0.408184 1.00000 -19.28015 -19.26302 -19.25942 -19.25779 -19.25020 -19.24831 -19.24663 -19.24559 -19.24411 -19.24214 -19.23984 -19.23937 -19.23769 -19.22012 -19.21834 -1.18830 -1.15492 -1.15223 -1.14999 -1.14390 -1.13928 -1.13643 -1.13525 -1.13210 -1.12730 -1.12370 -1.11985 -1.11880 -1.10548 -1.10439 -0.69175 -0.68378 -0.67822 -0.67635 -0.67274 -0.66706 -0.66482 -0.66266 -0.66082 -0.65588 -0.65417 -0.65346 -0.65242 -0.65167 -0.63178 -0.62637 -0.57093 -0.56482 -0.55421 -0.54658 -0.54218 -0.53091 -0.52556 -0.51851 -0.51588 -0.51028 -0.50630 -0.49709 -0.49136 -0.48844 -0.47605 -0.45836 -0.45545 -0.45455 -0.45405 -0.44830 -0.44652 -0.44265 -0.44256 -0.44128 -0.43832 -0.43708 -0.43247 -0.41869 -0.41579 -0.11863 -0.10060 -0.08566 -0.08431 -0.06747 -0.05841 -0.05529 -0.04718 -0.04066 -0.02735 -0.01972 -0.01220 -0.00322 0.00040 0.00118 0.00706 0.01056 0.01423 0.01790 0.02346 0.02557 0.03491 0.03810 0.04244 0.04482 0.05382 0.05882 0.06056 0.06313 0.06916 0.07102 0.07613 0.07724 0.08098 0.08483 0.08625 0.09373 0.09909 0.10351 0.10825 0.11333 0.11414 0.11810 0.12054 0.12349 0.12364 0.13013 0.13325 0.13842 0.14263 0.14320 0.14562 0.15025 0.15310 0.15611 0.16019 0.16098 0.16307 0.16728 0.17201 0.17406 0.17631 0.17966 0.18132 0.18492 0.19391 0.19439 0.19868 0.20763 0.21504 0.21745 0.22970 0.23562 0.24511 0.25323 0.25920 0.26796 0.27322 0.28216 0.31103 0.31593 0.32540 0.33198 0.33845 0.34355 0.34860 0.35632 0.36255 0.37285 0.38364 0.39654 0.40361 0.40712 0.41850 0.41957 0.42660 0.43465 0.44107 0.44376 0.44674 0.45644 0.46238 0.46640 0.47771 0.48039 0.49250 0.49431 0.50242 0.50967 0.51298 0.51576 0.52819 0.53573 0.54551 0.55232 0.55911 0.56909 0.57917 0.58633 0.59290 0.60254 0.62783 0.80261 0.82157 0.82496 0.83107 0.83592 0.85481 0.85699 0.86448 0.87062 0.87226 0.88091 0.88405 0.89687 0.90077 0.90649 0.91154 0.91262 0.91650 0.92432 0.92955 0.93805 0.94087 0.94224 0.95137 0.95566 0.96099 0.96680 0.97192 0.97609 0.98139 0.98473 0.98869 0.99258 0.99614 1.00362 1.00929 1.01757 1.02510 1.04129 1.04186 1.05650 1.06131 1.07049 1.09469 1.11248 1.11376 1.12924 1.13828 1.14880 1.15675 1.16787 1.17220 1.17803 1.18498 1.19430 1.19625 1.20415 1.21153 1.21533 1.22738 1.23302 1.23623 1.23673 1.24417 1.25342 1.25886 1.26988 1.28324 1.28971 1.29813 1.30386 1.31364 1.32685 1.33132 1.33819 1.35305 1.36608 1.37733 1.37870 1.38410 1.38986 1.39815 1.40665 1.41784 1.42021 1.43152 1.44571 1.44812 1.45579 1.46597 1.47454 1.47865 1.47989 1.49459 1.50871 1.51369 1.51736 1.52866 1.54007 1.55337 1.55701 1.56889 1.58060 1.58261 1.60565 1.61089 1.62288 1.64358 1.65657 1.66662 1.67075 1.68195 1.70027 1.71010 1.71441 1.72991 1.73888 1.75383 1.77541 1.79170 1.81745 1.85519 1.91261 1.91690 1.91860 1.92558 1.92862 1.92925 1.94097 1.95906 2.05000 2.07275 2.09738 2.09838 2.11220 2.12790 2.14922 2.15665 2.17254 2.17662 2.18685 2.20212 2.20471 2.21103 2.22686 2.23503 2.25333 2.25752 2.26507 2.27029 2.28806 2.31817 2.33068 2.34016 2.36655 2.38279 2.40907 2.42296 2.42887 2.44523 2.44686 2.45850 2.48652 2.52623 2.53489 2.54475 2.56073 2.56973 2.58587 2.60406 2.61000 2.62104 2.63145 2.65699 2.66888 2.67732 2.70250 2.70864 2.72107 2.73767 2.75387 2.77734 2.78143 2.83728 2.94382 2.95021 2.96135 2.96963 2.97358 2.97525 2.98263 2.99269 3.00076 3.00801 3.00875 3.01054 3.01405 3.02625 3.02913 3.03298 3.03408 3.03759 3.04746 3.04956 3.05783 3.06058 3.06659 3.07833 3.08452 3.11383 3.11800 3.15954 3.16604 3.17311 3.18284 3.18668 3.19310 3.19863 3.19899 3.20455 3.21077 3.22013 3.23049 3.23494 3.23826 3.24889 3.26714 3.28052 3.47970 3.56165 3.56765 3.57846 3.58225 3.59142 3.60310 3.60984 3.61653 3.63020 3.63896 3.64186 3.65235 3.66001 3.67803 3.73677 3.75964 3.76490 3.77468 3.78642 3.79596 3.79925 3.80710 3.81682 3.81967 3.82698 3.83182 3.84063 3.84898 3.86823 3.88003 4.80746 4.85168 4.86832 4.88793 4.90541 4.91216 4.92199 4.92257 4.93061 4.93739 4.94663 4.95761 4.99117 5.02902 5.06874 5.24383 5.25767 5.26331 5.28915 5.30082 5.30857 5.32502 5.32859 5.34463 5.35536 5.37788 5.38548 5.39574 5.42517 5.49510 5.52770 5.53548 5.54029 5.54526 5.55523 5.56156 5.56912 5.57422 5.58516 5.60022 5.60637 5.62040 5.62796 5.64873 5.77143 49.73566 49.76171 49.76785 49.77585 49.78865 49.79102 49.79309 49.79678 49.82161 49.82350 49.82534 49.84049 49.84901 49.85606 49.87025 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.627007 0.295496 0.317409 -0.759726 0.419003 -0.677532 0.369565 0.321917 0.314368 -0.582329 0.336835 -0.727770 0.421402 -0.751792 0.361418 0.383520 -0.611424 0.419664 0.429851 -0.660203 0.394273 0.378163 -0.709004 0.313476 0.497154 -0.677034 0.317937 0.357165 -0.680460 0.318398 0.353258 -0.835978 0.421190 0.428870 -0.628057 0.332712 0.353767 -0.774672 0.411554 0.328939 -0.903728 0.531987 0.305173 0.453738 0.308027 0.410487 1.00000 -1.68568418e+00 -4.80992404e-01 1.18414462e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.2846 -1.2226 3.0098 5.3769 -5.4625 -60.6168 -86.2486 -6.7017 2.6923 -11.5039 45.3134 -9.8409 -35.4726 -6.7017 2.6923 -11.5039 -230.2501 27.7869 46.8433 2.9903 -34.8355 13.6983 -34.5502 -30.8363 -1.0777 5.6101 -787.3115 -1587.6049 -986.2669 164.0138 373.5316 -158.2464 -232.5851 -2.3701 -69.6855 -809.3039 -655.9099 -500.6683 46.9799 -126.7406 -52.8040 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1147.5553783 3.05E-9 5.113E-6 12.2911194,8.7341387,-21.0252581,17.5029138,18.9566674,6.6022297 C01 [X(H31O15)] -0.9754705 -1.7604748 0.6513593 -0.000003729 0.000000764 0.000001437 -0.000003650 -0.000009084 0.000000405 0.000001275 0.000000198 0.000000959 -0.000001738 0.000007983 -0.000009117 0.000002065 -0.000001173 0.000003270 0.000001038 0.000005712 0.000005344 -0.000006181 0.000000087 -0.000007069 0.000000452 -0.000005546 0.000001958 0.000005022 -0.000000529 -0.000003807 0.000006900 0.000007980 -0.000011960 -0.000006072 -0.000002657 0.000002151 0.000003479 0.000005524 -0.000002130 -0.000004591 0.000000599 0.000001814 -0.000003554 0.000005583 0.000001582 -0.000004382 -0.000002603 -0.000006086 0.000005611 -0.000000842 0.000000683 -0.000003069 0.000002731 0.000004052 0.000005789 -0.000006408 -0.000002972 0.000007873 -0.000013460 -0.000006047 -0.000014357 0.000007264 -0.000009457 0.000004353 -0.000006274 0.000009300 0.000010907 -0.000009366 0.000004903 -0.000006179 0.000002517 0.000005853 0.000000211 -0.000000305 -0.000000759 -0.000004152 0.000007647 0.000000571 0.000004900 -0.000004696 -0.000006471 -0.000003423 -0.000001286 0.000000683 -0.000000533 0.000006276 0.000008346 0.000008579 0.000003717 -0.000000826 -0.000001253 -0.000000847 -0.000000602 0.000001431 0.000000829 0.000004183 0.000000828 0.000005135 -0.000000768 -0.000000395 -0.000003559 0.000007377 -0.000004866 0.000003744 -0.000002169 -0.000007759 0.000004236 0.000001373 0.000000798 -0.000002809 -0.000000676 0.000003330 -0.000001843 -0.000005761 0.000009730 0.000004594 -0.000003578 -0.000005773 -0.000003637 0.000012565 -0.000001001 -0.000001243 -0.000002414 -0.000008649 0.000005437 0.000008129 0.000003585 -0.000003187 -0.000008363 0.000001236 0.000002037 -0.000000672 -0.000001343 -0.000006881 -0.000000686 0.000002091 -0.000001613 0.000001627 0.000005165 -0.000000746 0.000003825 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0574,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; Gaussian 16 GINC-GANDULLAS LAMSABHI Optimization 14H2OH3O CONF58 gas EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0575,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; Optimization 14H2OH3O CONF58 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF58/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 2 3 4 4 4 4 5 6 6 6 7 10 10 12 12 13 14 14 14 15 16 16 17 17 17 18 19 20 20 20 23 23 26 26 26 29 29 29 32 32 34 35 35 38 38 41 41 42 43 45 10 12 5 8 22 28 35 7 9 21 23 11 39 13 44 38 15 33 46 26 23 41 18 19 25 41 32 21 22 25 24 46 27 28 31 30 31 36 33 34 38 36 37 39 40 42 44 1.7552 0.9632 0.9629 0.973 0.9616 1.0058 0.9638 1.7815 1.7776 1.6151 0.9766 0.9622 1.7041 1.8254 0.9724 1.672 0.9801 1.6974 1.7981 0.978 1.7432 0.9768 1.8331 0.9873 1.744 1.004 1.0125 1.0934 1.6403 1.5788 0.9873 0.983 1.3552 0.9633 1.8417 0.9634 0.9854 1.8825 0.9635 0.9775 1.9255 0.9883 0.9805 1.8138 0.9738 0.9744 0.9976 0.9629 0.9815 0.9905 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 42 42 43 5 5 5 8 8 22 7 7 9 6 2 2 11 3 3 13 15 15 33 18 18 19 17 21 21 22 7 7 7 16 16 24 15 15 15 27 27 28 4 30 30 31 26 19 19 33 32 5 5 36 29 13 13 13 34 34 39 16 16 16 18 18 42 1 1 1 4 4 4 4 4 4 6 6 6 7 10 10 10 12 12 12 14 14 14 17 17 17 19 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 28 29 29 29 31 32 32 32 34 35 35 35 36 38 38 38 38 38 38 41 41 41 41 41 41 43 45 45 8 22 28 22 28 28 9 21 21 23 11 39 39 13 44 44 33 46 46 19 25 25 32 22 25 25 16 24 46 24 46 46 27 28 31 28 31 31 26 31 36 36 29 33 34 34 38 36 37 37 35 34 39 40 39 40 40 18 42 44 42 44 44 124.5345 128.8578 106.5137 107.3101 110.7999 96.6163 115.0626 123.0303 102.3925 107.5443 112.3837 122.1507 159.843 103.4307 105.9022 120.0411 107.0298 124.5042 127.8354 113.2847 108.0353 117.0913 105.1078 111.5036 106.4453 164.506 107.4354 114.0265 115.2331 113.9264 122.8574 88.9057 107.1499 104.3495 117.6163 118.5293 106.0273 90.3022 107.1207 124.0921 108.9367 160.5237 106.8437 120.8417 97.538 158.1804 101.5824 120.9974 105.2144 155.7785 111.4559 108.0335 104.8114 157.2557 88.8983 114.3244 121.3186 94.6674 126.5706 107.9091 102.7216 120.516 103.7145 112.6023 108.8364 107.7191 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 4 12 14 23 17 6 4 17 14 10 1 12 14 4 12 14 23 17 6 4 17 14 10 1 12 14 5 13 15 16 18 21 22 25 33 39 42 44 46 5 13 15 16 18 21 22 25 33 39 42 44 46 35 38 26 41 41 20 20 20 32 38 41 41 23 35 38 26 41 41 20 20 20 32 38 41 41 23 1 4 6 2 2 1 2 2 1 4 3 5 3 1 4 6 2 2 1 2 2 1 4 3 5 3 -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 -2 174.0264 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 171.0893 192.8954 168.4444 169.3793 176.4069 172.8876 177.1034 176.9816 165.7619 181.4616 173.4202 175.4025 170.2373 179.4749 168.4004 171.3271 176.785 173.1014 182.1049 181.9023 183.0293 170.4622 183.2659 173.9762 170.0427 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 43 43 43 45 45 45 5 5 8 8 28 28 8 8 22 22 28 28 5 8 22 9 21 7 7 9 9 6 6 6 2 2 2 11 11 11 3 3 3 44 44 44 3 3 3 13 13 13 15 15 15 33 33 33 33 33 33 46 46 46 15 15 46 46 18 18 19 19 19 19 19 25 25 25 7 7 7 24 24 24 46 46 46 18 25 17 17 15 27 31 15 27 28 30 36 30 31 19 33 32 32 32 5 37 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 7 7 7 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 17 17 19 19 26 26 26 26 26 26 29 29 29 29 32 32 34 34 34 35 35 41 41 41 41 41 41 20 20 20 20 20 20 35 35 35 35 35 35 28 28 28 7 7 20 20 20 20 23 23 23 38 38 38 38 38 38 38 38 38 38 38 38 41 41 41 41 41 41 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 20 20 20 20 41 41 41 41 41 41 41 41 41 41 41 41 41 41 41 19 19 32 32 28 28 28 31 31 31 31 31 36 36 34 34 38 38 38 36 36 16 18 44 16 18 44 21 25 21 25 21 25 36 37 36 37 36 37 26 26 26 23 23 22 25 22 25 16 24 46 13 34 40 13 34 40 34 39 40 34 39 40 16 18 42 16 18 42 7 16 24 7 16 24 27 28 31 27 28 31 19 34 19 34 21 22 21 22 16 42 44 16 42 44 18 42 44 18 42 44 18 42 44 32 32 33 34 4 4 4 29 29 29 26 26 35 35 38 38 13 39 40 29 29 -153.6446 -32.9497 86.2648 21.6092 142.3041 -98.4815 -128.8894 -3.7811 107.8852 -127.0065 -27.974 97.1344 -106.5787 141.2416 123.8422 11.6624 20.4951 -91.6846 33.7161 149.3548 -79.3318 -168.3182 -31.1132 116.8239 -9.3888 -113.2646 120.5226 71.277 -156.6098 -33.954 30.7819 -56.6065 173.8474 142.8778 55.4893 -74.0568 -165.8674 100.8067 -33.556 6.3871 -86.9388 138.6985 -100.3019 153.2445 28.5177 86.3817 -20.072 -144.7987 -25.1061 -139.2471 103.0642 101.1571 -12.9839 -130.6726 -166.4856 -43.3174 65.0125 -34.0108 89.1574 -162.5127 95.1298 -138.4145 -30.4849 95.9708 -12.3131 -136.2788 101.0633 -22.9024 -86.0145 141.1402 21.8774 25.8461 -106.9992 133.7379 -37.7403 88.0008 -149.3192 177.1196 -57.1393 65.5407 53.3284 179.0694 -58.2505 72.3838 -46.0124 -10.4797 -126.3065 44.3654 171.843 -51.6248 -51.8636 -177.3355 55.2164 -160.6622 -35.185 148.8802 34.0809 114.2078 0.2458 -75.4051 38.9116 155.3178 -45.9706 70.6436 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00013 0.00030 0.00046 0.00052 0.00063 0.00068 0.00074 0.00075 0.00079 0.00110 0.00132 0.00165 0.00232 0.00240 0.00283 0.00326 0.00334 0.00407 0.00416 0.00440 0.00464 0.00523 0.00560 0.00574 0.00616 0.00634 0.00707 0.00718 0.00750 0.00791 0.00847 0.00863 0.00884 0.00904 0.00969 0.01011 0.01072 0.01096 0.01119 0.01146 0.01163 0.01248 0.01254 0.01301 0.01341 0.01353 0.01394 0.01414 0.01445 0.01471 0.01516 0.01551 0.01620 0.01637 0.01674 0.01697 0.01733 0.01748 0.01793 0.01821 0.01877 0.01902 0.01942 0.01978 0.02040 0.02138 0.02196 0.02364 0.02423 0.02453 0.02626 0.02703 0.02828 0.02861 0.03003 0.03218 0.03337 0.03373 0.03910 0.04100 0.04973 0.05054 0.05129 0.05356 0.05482 0.05606 0.05656 0.05807 0.06331 0.06894 0.07051 0.07514 0.07986 0.08766 0.09047 0.09739 0.10368 0.14177 0.25206 0.28792 0.34232 0.35729 0.38424 0.39100 0.40395 0.41610 0.42773 0.43638 0.43870 0.44293 0.45554 0.46147 0.46976 0.47203 0.47317 0.47514 0.47708 0.47837 0.48382 0.48565 0.49306 0.53391 0.53514 0.53524 0.53582 0.53602 0.53699 0.53970 0.54050 0.54217 0.62153 0.87212 Angle between quadratic step and forces= 82.45 degrees. 1 2 3 0.00110013 0.00000232 0.00000000 0.00000217 0.00000019 0.00000019 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 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 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 3.31680 1.82015 1.81954 1.83874 1.81711 1.90069 1.82127 3.36650 3.35918 3.05217 1.84556 1.81832 3.22037 3.44958 1.83751 3.15960 1.85221 3.20761 3.39786 1.84816 3.29425 1.84596 3.46399 1.86579 3.29575 1.89727 1.91337 2.06622 3.09972 2.98348 1.86571 1.85754 2.56095 1.82035 3.48037 1.82054 1.86212 3.55733 1.82083 1.84723 3.63870 1.86758 1.85295 3.42761 1.84015 1.84143 1.88510 1.81960 1.85481 1.87176 2.17354 2.24899 1.85901 1.87291 1.93382 1.68627 2.00822 2.14728 1.78709 1.87700 1.96147 2.13193 2.78979 1.80521 1.84834 2.09511 1.86802 2.17301 2.23115 1.97719 1.88557 2.04363 1.83448 1.94611 1.85782 2.87117 1.87510 1.99014 2.01120 1.98839 2.14427 1.55170 1.87012 1.82124 2.05279 2.06873 1.85053 1.57607 1.86961 2.16582 1.90130 2.80167 1.86477 2.10909 1.70236 2.76077 1.77295 2.11180 1.83634 2.71885 1.94527 1.88554 1.82930 2.74463 1.55157 1.99534 2.11741 1.65226 2.20907 1.88337 1.79283 2.10340 1.81016 1.96528 1.89955 1.88005 3.03733 2.98607 3.36666 2.93991 2.95623 3.07888 3.01746 3.09104 3.08891 2.89309 3.16710 3.02675 3.06135 2.97120 3.13243 2.93914 2.99022 3.08548 3.02119 3.17833 3.17479 3.19446 2.97513 3.19859 3.03646 2.96781 -2.68160 -0.57508 1.50560 0.37715 2.48367 -1.71883 -2.24954 -0.06599 1.88295 -2.21668 -0.48824 1.69531 -1.86015 2.46513 2.16145 0.20355 0.35771 -1.60020 0.58846 2.60673 -1.38460 -2.93771 -0.54303 2.03896 -0.16387 -1.97684 2.10352 1.24402 -2.73336 -0.59261 0.53725 -0.98797 3.03421 2.49369 0.96847 -1.29253 -2.89493 1.75941 -0.58566 0.11148 -1.51737 2.42075 -1.75060 2.67462 0.49773 1.50764 -0.35032 -2.52721 -0.43818 -2.43032 1.79881 1.76552 -0.22661 -2.28067 -2.90572 -0.75603 1.13468 -0.59360 1.55609 -2.83638 1.66033 -2.41579 -0.53206 1.67501 -0.21490 -2.37851 1.76389 -0.39972 -1.50124 2.46336 0.38183 0.45110 -1.86749 2.33417 -0.65869 1.53590 -2.60611 3.09132 -0.99727 1.14390 0.93076 3.12535 -1.01666 1.26334 -0.80307 -0.18291 -2.20446 0.77432 2.99923 -0.90102 -0.90519 -3.09509 0.96371 -2.80409 -0.61409 2.59845 0.59482 1.99330 0.00429 -1.31607 0.67913 2.71081 -0.80234 1.23296 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 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 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 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 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00014 0.00000 0.00000 0.00002 -0.00000 -0.00002 -0.00001 -0.00001 0.00032 0.00011 0.00002 0.00001 -0.00008 -0.00007 -0.00003 -0.00010 -0.00000 0.00023 0.00005 0.00001 0.00004 -0.00002 -0.00006 -0.00002 0.00021 0.00001 -0.00006 -0.00008 0.00003 0.00028 0.00002 0.00000 0.00007 -0.00000 0.00024 -0.00000 -0.00004 0.00029 -0.00001 -0.00001 -0.00015 0.00001 0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00002 -0.00012 -0.00007 0.00002 0.00009 0.00017 0.00001 0.00029 0.00018 -0.00075 -0.00000 -0.00026 -0.00071 -0.00002 0.00006 0.00000 0.00035 -0.00001 -0.00019 0.00043 -0.00039 -0.00006 0.00029 0.00002 -0.00002 -0.00005 -0.00023 -0.00007 0.00018 0.00021 0.00024 0.00010 -0.00070 0.00002 -0.00011 0.00035 -0.00072 0.00045 0.00014 -0.00001 0.00037 -0.00018 -0.00006 0.00002 0.00018 0.00034 -0.00057 -0.00016 0.00030 -0.00002 -0.00024 -0.00013 0.00011 0.00009 0.00041 -0.00025 -0.00019 0.00002 0.00023 0.00014 0.00006 0.00002 0.00043 -0.00012 -0.00038 0.00005 0.00000 -0.00011 -0.00012 0.00007 -0.00025 0.00003 0.00008 -0.00060 0.00012 0.00019 -0.00020 -0.00041 -0.00012 0.00009 -0.00011 0.00002 0.00077 0.00017 -0.00016 0.00010 0.00003 -0.00010 0.00019 -0.00002 -0.00001 0.00013 -0.00027 -0.00378 -0.00354 -0.00377 -0.00737 -0.00713 -0.00736 0.00086 0.00095 0.00031 0.00040 0.00052 0.00060 -0.00003 -0.00009 -0.00062 -0.00068 0.00020 0.00013 0.00044 0.00065 0.00043 -0.00135 -0.00260 0.00208 0.00169 0.00108 0.00069 0.00131 0.00177 0.00173 -0.00022 0.00000 -0.00027 -0.00004 0.00018 -0.00009 -0.00154 -0.00167 -0.00156 0.00012 -0.00001 0.00010 0.00214 0.00215 0.00266 0.00029 0.00031 0.00081 0.00092 0.00083 0.00070 0.00044 0.00034 0.00021 0.00073 0.00060 0.00047 0.00094 0.00082 0.00068 -0.00052 -0.00021 -0.00029 0.00002 -0.00061 -0.00086 -0.00059 -0.00085 -0.00044 -0.00078 -0.00054 -0.00049 -0.00083 -0.00059 0.00089 0.00074 0.00088 0.00035 0.00020 0.00034 0.00008 -0.00007 0.00006 -0.00014 -0.00010 -0.00003 -0.00004 -0.00094 -0.00154 -0.00121 -0.00008 0.00056 0.00043 0.00019 0.00055 -0.00086 -0.00122 0.00026 0.00032 -0.00001 -0.00022 0.00012 0.00080 0.00091 -0.00014 0.00000 0.00000 0.00002 -0.00000 -0.00002 -0.00001 -0.00001 0.00032 0.00011 0.00002 0.00001 -0.00008 -0.00007 -0.00003 -0.00010 -0.00000 0.00023 0.00005 0.00001 0.00004 -0.00002 -0.00006 -0.00002 0.00021 0.00001 -0.00006 -0.00008 0.00003 0.00028 0.00002 0.00000 0.00007 -0.00000 0.00024 -0.00000 -0.00004 0.00029 -0.00001 -0.00001 -0.00015 0.00001 0.00001 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00002 -0.00012 -0.00007 0.00002 0.00009 0.00017 0.00001 0.00029 0.00018 -0.00075 -0.00001 -0.00026 -0.00071 -0.00002 0.00006 0.00000 0.00035 -0.00001 -0.00019 0.00043 -0.00039 -0.00006 0.00029 0.00002 -0.00002 -0.00005 -0.00023 -0.00007 0.00018 0.00021 0.00024 0.00010 -0.00070 0.00002 -0.00011 0.00035 -0.00072 0.00045 0.00014 -0.00001 0.00037 -0.00018 -0.00006 0.00002 0.00018 0.00034 -0.00057 -0.00016 0.00030 -0.00002 -0.00024 -0.00013 0.00011 0.00009 0.00041 -0.00025 -0.00019 0.00002 0.00023 0.00014 0.00006 0.00002 0.00043 -0.00012 -0.00038 0.00005 0.00000 -0.00011 -0.00012 0.00007 -0.00025 0.00003 0.00008 -0.00060 0.00012 0.00019 -0.00020 -0.00041 -0.00012 0.00009 -0.00011 0.00002 0.00077 0.00017 -0.00016 0.00010 0.00003 -0.00010 0.00019 -0.00002 -0.00001 0.00013 -0.00027 -0.00378 -0.00354 -0.00377 -0.00737 -0.00713 -0.00736 0.00086 0.00095 0.00031 0.00040 0.00052 0.00060 -0.00003 -0.00009 -0.00062 -0.00068 0.00020 0.00013 0.00044 0.00065 0.00043 -0.00135 -0.00260 0.00208 0.00169 0.00108 0.00069 0.00131 0.00177 0.00173 -0.00022 0.00000 -0.00027 -0.00004 0.00018 -0.00009 -0.00154 -0.00167 -0.00156 0.00012 -0.00001 0.00010 0.00214 0.00215 0.00266 0.00029 0.00031 0.00081 0.00092 0.00083 0.00070 0.00044 0.00034 0.00021 0.00073 0.00060 0.00047 0.00094 0.00081 0.00068 -0.00052 -0.00021 -0.00029 0.00002 -0.00061 -0.00086 -0.00059 -0.00085 -0.00044 -0.00078 -0.00054 -0.00049 -0.00083 -0.00059 0.00089 0.00074 0.00088 0.00035 0.00020 0.00034 0.00008 -0.00007 0.00006 -0.00014 -0.00010 -0.00003 -0.00004 -0.00094 -0.00154 -0.00121 -0.00008 0.00056 0.00043 0.00019 0.00055 -0.00086 -0.00122 0.00026 0.00032 -0.00001 -0.00022 0.00012 0.00080 0.00091 3.31666 1.82016 1.81954 1.83876 1.81711 1.90067 1.82126 3.36649 3.35950 3.05228 1.84558 1.81833 3.22029 3.44951 1.83748 3.15950 1.85221 3.20784 3.39791 1.84817 3.29428 1.84594 3.46393 1.86576 3.29596 1.89728 1.91331 2.06614 3.09974 2.98376 1.86574 1.85755 2.56102 1.82034 3.48061 1.82053 1.86208 3.55762 1.82083 1.84721 3.63856 1.86758 1.85296 3.42760 1.84015 1.84142 1.88511 1.81960 1.85483 1.87173 2.17342 2.24892 1.85903 1.87301 1.93399 1.68628 2.00851 2.14746 1.78633 1.87700 1.96121 2.13122 2.78976 1.80526 1.84834 2.09547 1.86801 2.17282 2.23157 1.97680 1.88551 2.04392 1.83450 1.94609 1.85777 2.87095 1.87503 1.99032 2.01140 1.98863 2.14437 1.55100 1.87014 1.82113 2.05314 2.06801 1.85097 1.57621 1.86960 2.16618 1.90113 2.80161 1.86480 2.10926 1.70270 2.76020 1.77279 2.11210 1.83632 2.71861 1.94514 1.88564 1.82939 2.74504 1.55132 1.99514 2.11743 1.65248 2.20922 1.88343 1.79285 2.10383 1.81004 1.96490 1.89960 1.88006 3.03723 2.98595 3.36673 2.93966 2.95626 3.07896 3.01686 3.09116 3.08911 2.89289 3.16670 3.02664 3.06144 2.97109 3.13245 2.93991 2.99039 3.08532 3.02129 3.17836 3.17469 3.19466 2.97510 3.19858 3.03659 2.96754 -2.68539 -0.57862 1.50184 0.36978 2.47655 -1.72618 -2.24868 -0.06504 1.88326 -2.21629 -0.48772 1.69592 -1.86018 2.46504 2.16084 0.20286 0.35791 -1.60006 0.58890 2.60738 -1.38417 -2.93906 -0.54563 2.04104 -0.16217 -1.97576 2.10420 1.24533 -2.73158 -0.59088 0.53703 -0.98797 3.03394 2.49365 0.96865 -1.29262 -2.89647 1.75774 -0.58722 0.11160 -1.51738 2.42085 -1.74846 2.67677 0.50039 1.50794 -0.35001 -2.52640 -0.43726 -2.42949 1.79951 1.76596 -0.22627 -2.28046 -2.90500 -0.75543 1.13515 -0.59266 1.55691 -2.83570 1.65981 -2.41600 -0.53236 1.67502 -0.21551 -2.37938 1.76330 -0.40057 -1.50168 2.46258 0.38129 0.45061 -1.86832 2.33358 -0.65780 1.53664 -2.60523 3.09168 -0.99707 1.14424 0.93083 3.12528 -1.01660 1.26320 -0.80317 -0.18293 -2.20450 0.77338 2.99768 -0.90223 -0.90527 -3.09453 0.96414 -2.80390 -0.61354 2.59759 0.59361 1.99356 0.00461 -1.31608 0.67891 2.71093 -0.80154 1.23387 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.007048 0.001100 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -6.510685e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1456.9985386634 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0481319734 0.000000 7.763846 0.000000 4.748621 4.709589 0.000000 8.579200 5.282482 8.226828 0.000000 8.643706 4.887644 7.876886 1.005803 0.000000 6.273923 5.581053 7.125617 4.303683 4.962987 0.000000 5.691268 5.149078 6.345642 4.860789 5.380386 0.976627 0.000000 9.297002 6.198499 9.148312 0.963774 1.586618 4.923981 5.587471 0.000000 6.556131 6.485624 7.848690 5.008088 5.752745 0.962216 1.564035 5.516149 0.000000 8.351705 0.973019 4.908596 5.735026 5.195462 6.495730 6.091373 6.608989 7.414414 0.000000 8.982925 1.527017 5.783510 5.264962 4.671817 6.602757 6.333361 6.074289 7.527031 0.972369 0.000000 4.536870 4.080955 0.961574 7.275177 6.934915 6.331478 5.607878 8.192819 7.096557 4.358736 5.168944 0.000000 5.390242 3.533931 1.561207 6.980162 6.525739 6.599022 5.949802 7.893533 7.435950 3.638645 4.427024 0.980149 0.000000 6.693764 1.927718 4.931261 4.055009 3.958957 3.680033 3.314704 5.010429 4.606384 2.820104 3.038662 4.111416 3.902477 0.000000 7.403948 2.429386 5.909112 3.463315 3.494706 3.437723 3.294590 4.379994 4.340917 3.259838 3.211112 5.083168 4.853635 0.978006 0.000000 3.945743 4.508909 4.062790 5.949048 6.104632 3.257173 2.401867 6.818443 3.847752 5.343291 5.898531 3.420905 3.986123 3.148464 3.781642 0.000000 4.510870 5.148081 5.073488 4.323350 4.238730 4.215306 4.110103 5.026845 4.950576 5.666591 5.877156 4.175283 4.280406 3.843417 4.272956 3.436884 0.000000 3.650387 5.075964 4.383245 5.048859 5.013118 4.102621 3.785857 5.811510 4.798164 5.660215 6.022289 3.533523 3.840873 3.777343 4.353173 2.644275 1.003992 0.000000 5.133572 4.399584 4.731365 4.089699 3.796146 4.603335 4.457357 4.862133 5.442946 4.814882 4.997175 3.796769 3.684289 3.358299 3.843583 3.671579 1.012511 1.600962 0.000000 6.109309 5.611676 6.983071 2.759155 3.244317 2.685682 3.154370 3.317480 3.329941 6.294545 6.246085 6.055051 6.120965 3.860508 3.719311 4.067117 2.447498 2.976009 2.873925 0.000000 6.071644 5.527563 6.994908 3.159453 3.768468 1.704145 2.263952 3.755161 2.361177 6.314471 6.319111 6.100387 6.248538 3.646181 3.446051 3.628788 2.992089 3.239276 3.430262 0.987292 0.000000 6.988572 5.413133 7.391997 1.781476 2.336207 3.123682 3.669769 2.357358 3.813293 6.029878 5.835456 6.440525 6.364585 3.783427 3.461688 4.698054 2.983429 3.643731 3.122244 0.982970 1.588253 0.000000 4.869974 4.264275 4.687942 5.742609 5.979788 2.762825 1.825441 6.611572 3.354105 5.180275 5.677125 4.057160 4.503006 2.807166 3.285588 0.987332 4.009313 3.372023 4.164495 4.122796 3.511663 4.642770 0.000000 5.111400 4.574504 4.719272 6.615191 6.845660 3.453603 2.483589 7.487622 3.894539 5.477512 6.059974 4.254329 4.773065 3.401188 3.894629 1.569599 4.895976 4.182208 5.023164 5.072250 4.417379 5.581336 0.963286 0.000000 5.121152 5.250221 5.886038 3.527188 3.658544 3.399545 3.506895 4.194633 4.119018 5.861277 5.955080 4.964448 5.055669 3.680721 3.875099 3.526078 1.093396 1.734446 1.687459 1.355199 1.975057 1.984582 3.876423 4.826415 0.000000 8.975447 3.704642 7.681023 2.726472 2.920024 4.070480 4.321201 3.415121 4.830706 4.288119 3.826775 6.836602 6.514265 2.781977 1.833067 5.440907 5.390650 5.716473 4.981528 4.158235 3.954878 3.530612 4.876597 5.484380 4.753267 0.000000 9.480696 4.362542 8.343821 3.309320 3.686834 4.091468 4.406639 3.850409 4.713207 4.988924 4.553506 7.527358 7.267555 3.417564 2.444404 5.829634 6.108594 6.377419 5.793737 4.639654 4.278910 4.057812 5.144156 5.664394 5.390037 0.963386 0.000000 8.857925 4.307103 7.952269 1.777600 2.140912 3.927934 4.347413 2.440572 4.671530 4.858237 4.374019 7.055484 6.750457 3.179249 2.308363 5.579714 5.004894 5.469635 4.667343 3.534052 3.473551 2.773578 5.119417 5.843667 4.265548 0.985390 1.567812 0.000000 9.938679 3.039596 7.432883 4.105630 3.523662 6.473645 6.496477 4.728677 7.353907 2.907328 1.987071 6.687890 6.009185 3.607929 3.241496 6.728519 6.186373 6.581684 5.379757 5.894008 6.029487 5.217100 6.395986 6.931449 5.969827 2.813496 3.526489 3.206980 0.000000 10.895412 3.783509 8.253269 4.755998 4.191752 7.275720 7.329569 5.256414 8.123834 3.532683 2.574783 7.547671 6.835100 4.500892 4.081774 7.641241 7.133185 7.543913 6.322289 6.755765 6.880239 6.027683 7.265083 7.756911 6.895773 3.403463 3.953936 3.821824 0.963543 0.000000 9.729696 3.104236 7.570419 3.594240 3.231180 5.725751 5.810924 4.236523 6.566257 3.266073 2.490130 6.788334 6.223236 3.224787 2.634423 6.335704 6.004481 6.376949 5.311690 5.384646 5.408028 4.698917 5.901129 6.444902 5.639628 1.882458 2.550456 2.391359 0.977510 1.558774 0.000000 6.301967 3.183026 4.590194 3.993500 3.426677 5.194724 5.001762 4.840566 6.129841 3.410783 3.518081 3.675129 3.190083 2.729770 3.241582 4.223837 2.568782 2.947090 1.578788 3.783225 4.230634 3.678354 4.508479 5.266284 2.957792 4.344737 5.254435 4.220341 4.048957 4.973511 4.169050 0.000000 6.344593 2.432734 4.527390 3.813151 3.392039 4.552888 4.302937 4.741141 5.508165 2.886306 3.041555 3.607719 3.195750 1.743240 2.311552 3.670282 2.841495 3.038597 2.023809 3.621262 3.851411 3.513406 3.781685 4.510843 3.006183 3.622470 4.487771 3.654682 3.635782 4.592743 3.601065 0.988279 0.000000 6.420689 3.075348 4.031782 4.906378 4.265875 5.981364 5.676795 5.743961 6.916985 3.091024 3.348029 3.201914 2.529341 3.161728 3.812582 4.559237 3.226337 3.430880 2.246894 4.725139 5.134171 4.657405 4.905787 5.549105 3.803535 5.015123 5.924844 5.012808 4.274188 5.145422 4.563460 0.980540 1.564216 0.000000 8.822033 4.335053 7.312717 2.608640 1.615139 6.044180 6.250962 3.127061 6.925739 4.356278 3.776848 6.424926 5.826312 4.021965 3.815357 6.428563 4.466667 5.206781 3.715636 4.326073 4.898613 3.594189 6.411261 7.218637 4.267515 3.598016 4.506265 3.176953 2.848550 3.516457 3.031431 2.810826 3.019104 3.377875 0.000000 9.297461 3.857812 7.358378 3.066575 2.169672 6.295826 6.443425 3.617749 7.193852 3.780337 3.060162 6.513232 5.847393 3.876531 3.616894 6.618633 5.103494 5.732007 4.292661 4.935159 5.366870 4.196085 6.502581 7.230608 4.915431 3.288906 4.183781 3.104977 1.925518 2.557022 2.270897 3.128639 3.135211 3.542573 0.973765 0.000000 7.989490 3.891973 6.402334 3.021934 2.129002 5.821736 5.906123 3.687898 6.737558 3.929122 3.540949 5.515346 4.921686 3.583988 3.610336 5.765439 3.739936 4.431024 2.891632 4.074240 4.665578 3.526726 5.858199 6.662146 3.732642 3.871139 4.823391 3.539931 3.157330 3.953735 3.379420 1.884135 2.268829 2.439540 0.974440 1.543662 0.000000 6.963994 2.973184 3.265568 6.503668 5.845928 7.176631 6.690778 7.368333 8.100016 2.642533 3.239786 2.770528 1.798070 3.914515 4.698959 5.189053 4.768604 4.691405 3.885630 6.365810 6.629427 6.337997 5.515055 5.898467 5.429633 6.039904 6.885067 6.280557 4.823863 5.554277 5.275793 2.737751 2.901609 1.813815 4.789320 4.662899 3.960487 0.000000 7.539793 2.152633 3.802991 6.241236 5.597961 6.986331 6.518018 7.118631 7.920730 1.671989 2.317079 3.297624 2.388682 3.466453 4.169626 5.251423 5.132241 5.082962 4.228043 6.387937 6.567665 6.263073 5.398491 5.743903 5.625301 5.425446 6.234244 5.784142 4.061148 4.749555 4.525797 2.882289 2.775133 2.139977 4.555235 4.243942 3.851967 0.997553 0.000000 7.597302 3.732315 3.715678 7.211834 6.477190 8.125548 7.650709 8.034388 9.051744 3.209140 3.722567 3.405028 2.441333 4.838449 5.582884 6.107314 5.518764 5.483635 4.622188 7.199965 7.521062 7.138371 6.461466 6.817062 6.232518 6.819615 7.679506 7.050733 5.298150 5.929580 5.874970 3.477785 3.770396 2.509633 5.261708 5.110077 4.470697 0.962890 1.585249 0.000000 2.735686 5.081596 3.346201 6.308588 6.296120 4.435160 3.786741 7.143608 5.040297 5.719475 6.302555 2.680457 3.350733 3.978300 4.735068 1.744034 2.632629 1.640300 2.955290 4.244085 4.181211 4.947745 2.711849 3.230658 3.218087 6.378818 6.947400 6.355620 7.232862 8.185047 7.021795 3.841233 3.695516 4.037079 6.397345 6.748706 5.581117 4.726233 5.114751 5.532745 0.000000 1.755176 6.033209 3.666214 7.102036 7.123751 5.002988 4.365737 7.893047 5.476704 6.650466 7.258850 3.195057 3.983031 4.948031 5.685183 2.396557 3.192323 2.211677 3.673478 4.837740 4.779180 5.630787 3.376801 3.765127 3.808413 7.302515 7.842262 7.242228 8.206096 9.159940 7.995056 4.703001 4.642472 4.860606 7.258399 7.661062 6.431728 5.478943 5.952959 6.216542 0.981523 0.000000 0.963184 8.363429 5.250315 8.886091 8.915867 6.892622 6.396190 9.552969 7.175966 8.896440 9.493859 5.041311 5.827209 7.312633 8.011855 4.744796 4.693144 3.962150 5.345939 6.411417 6.497567 7.285230 5.687123 6.002479 5.367823 9.525369 10.074904 9.332771 10.401394 11.361138 10.234966 6.597791 6.771941 6.706114 9.060338 9.606426 8.219700 7.315086 7.972729 7.879235 3.364088 2.434159 0.000000 3.189872 4.643446 2.378008 6.626618 6.479611 5.121304 4.426311 7.504004 5.800467 5.175211 5.846918 1.697397 2.425461 3.909713 4.785715 2.200415 3.048743 2.172736 3.065938 4.872669 4.866110 5.454231 3.081613 3.470844 3.778072 6.514136 7.142000 6.581091 7.001397 7.934609 6.904184 3.611912 3.505348 3.570715 6.341236 6.608573 5.465612 3.945992 4.398710 4.710267 0.990490 1.592555 3.773852 0.000000 0.962859 8.382436 5.266045 9.312065 9.432457 6.648248 6.026867 10.029426 6.822179 9.006572 9.672009 5.163448 6.073460 7.300748 7.997257 4.356608 5.373318 4.487573 6.012518 6.785289 6.644376 7.692212 5.204622 5.301258 5.898307 9.583077 10.023394 9.505333 10.662208 11.613357 10.412165 7.149665 7.116978 7.266246 9.668497 10.114832 8.850745 7.720956 8.258651 8.361203 3.433684 2.475541 1.543387 3.882318 0.000000 6.058928 2.611062 4.709837 4.562107 4.619586 3.131166 2.568228 5.500959 4.004170 3.551465 3.913028 3.930735 3.957938 0.976840 1.581858 2.295240 3.785322 3.504918 3.522925 3.804902 3.408161 3.951140 1.841731 2.442266 3.613128 3.366495 3.828738 3.730398 4.560334 5.433189 4.110689 3.276817 2.354593 3.701531 4.855741 4.799544 4.372301 4.383825 4.049953 5.339172 3.424927 4.349343 6.752520 3.476304 6.585434 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.7367,-.3275,-.6364;1.339,1.9676,1.5874;-3.047,3.3807,.6144;2.5856,-2.3261,-1.2258;2.7802,-1.4232,-1.6241;-.6157,-3.2591,1.495;-1.1395,-2.5356,1.8897;3.1112,-2.9726,-1.7104;-.9677,-4.089,1.8315;1.7798,2.7745,1.2691;2.6506,2.4557,.9764;-2.4698,2.6767,.3049;-1.6269,3.0957,.0318;.6508,.1905,1.2973;1.3733,-.4561,1.4252;-2.4071,-.539,1.4704;-1.4026,-.7623,-1.8088;-2.1291,-.5212,-1.1592;-.7371,-.0011,-1.7548;-.1401,-2.734,-1.0956;-.3101,-3.0094,-.1628;.8327,-2.6431,-1.2032;-1.7991,-.8583,2.1797;-2.1765,-.5836,3.0223;-.8682,-1.6635,-1.4962;2.9707,-1.3449,1.2886;3.2259,-1.9442,1.9984;2.9145,-1.8801,.4632;4.0338,1.1253,.4615;4.9519,1.348,.6507;3.8508,.275,.9077;.3871,1.0071,-1.2941;.5092,.7493,-.3479;.223,1.9737,-1.2783;2.9685,.1388,-1.9893;3.4895,.603,-1.3101;2.0914,.5625,-1.9632;.0107,3.6031,-.5104;.7288,3.4671,.1685;.1568,4.4579,-.9288;-3.1102,.0913,.004;-4.0615,-.0486,-.1928;-6.0684,-.3332,-1.5406;-2.9565,1.0675,.0706;-6.4824,-.5514,-.0699;-.1551,-.1699,1.7156; 0.3383362 0.2228400 0.1765309 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.28D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 522 519 520 522 522 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55537826103 -1147.55537826 1 1.143862806271e+03 -5.610685342794e+03 1.862316751571e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14094 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=8971287311. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 133386 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 3.31D-14 1.00D-09 XBig12= 6.27D+01 1.11D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 3.31D-14 1.00D-09 XBig12= 2.29D+00 1.81D-01. 138 vectors produced by pass 2 Test12= 3.31D-14 1.00D-09 XBig12= 2.02D-02 1.25D-02. 138 vectors produced by pass 3 Test12= 3.31D-14 1.00D-09 XBig12= 5.48D-05 7.43D-04. 138 vectors produced by pass 4 Test12= 3.31D-14 1.00D-09 XBig12= 7.70D-08 4.45D-05. 79 vectors produced by pass 5 Test12= 3.31D-14 1.00D-09 XBig12= 6.47D-11 6.58D-07. 4 vectors produced by pass 6 Test12= 3.31D-14 1.00D-09 XBig12= 4.53D-14 2.11D-08. InvSVY: IOpt=1 It= 1 EMax= 2.86D-15 Solved reduced A of dimension 773 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 130.48 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 139.020 -0.975 133.950 -0.417 -1.778 118.467 155.865 -1.083 155.738 -1.230 -3.112 147.114 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT17980.400S Tue Nov 5 12:32:29 2024 -19.28015 -19.26302 -19.25942 -19.25779 -19.25020 -19.24831 -19.24663 -19.24559 -19.24411 -19.24214 -19.23984 -19.23937 -19.23769 -19.22012 -19.21834 -1.18830 -1.15492 -1.15223 -1.14999 -1.14390 -1.13928 -1.13643 -1.13525 -1.13210 -1.12730 -1.12370 -1.11985 -1.11880 -1.10548 -1.10439 -0.69175 -0.68378 -0.67822 -0.67635 -0.67274 -0.66706 -0.66482 -0.66266 -0.66082 -0.65588 -0.65417 -0.65346 -0.65242 -0.65167 -0.63178 -0.62637 -0.57093 -0.56482 -0.55421 -0.54658 -0.54218 -0.53091 -0.52556 -0.51851 -0.51588 -0.51028 -0.50630 -0.49709 -0.49136 -0.48844 -0.47605 -0.45836 -0.45545 -0.45455 -0.45405 -0.44830 -0.44652 -0.44265 -0.44256 -0.44128 -0.43832 -0.43708 -0.43247 -0.41869 -0.41579 -0.11863 -0.10060 -0.08566 -0.08431 -0.06747 -0.05841 -0.05529 -0.04718 -0.04066 -0.02735 -0.01972 -0.01220 -0.00322 0.00040 0.00118 0.00706 0.01056 0.01423 0.01790 0.02346 0.02557 0.03491 0.03810 0.04244 0.04482 0.05382 0.05882 0.06056 0.06313 0.06916 0.07102 0.07613 0.07724 0.08098 0.08483 0.08625 0.09373 0.09909 0.10351 0.10825 0.11333 0.11414 0.11810 0.12054 0.12349 0.12364 0.13013 0.13325 0.13842 0.14263 0.14320 0.14562 0.15025 0.15310 0.15611 0.16019 0.16098 0.16307 0.16728 0.17201 0.17406 0.17631 0.17966 0.18132 0.18492 0.19391 0.19439 0.19868 0.20763 0.21504 0.21745 0.22970 0.23562 0.24511 0.25323 0.25920 0.26796 0.27322 0.28216 0.31103 0.31593 0.32540 0.33198 0.33845 0.34355 0.34860 0.35632 0.36255 0.37285 0.38364 0.39654 0.40361 0.40712 0.41850 0.41957 0.42660 0.43465 0.44107 0.44376 0.44674 0.45644 0.46238 0.46640 0.47771 0.48039 0.49250 0.49431 0.50242 0.50967 0.51298 0.51576 0.52819 0.53573 0.54551 0.55232 0.55911 0.56909 0.57917 0.58633 0.59290 0.60254 0.62783 0.80261 0.82157 0.82496 0.83107 0.83592 0.85481 0.85699 0.86448 0.87062 0.87226 0.88091 0.88405 0.89687 0.90077 0.90649 0.91154 0.91262 0.91650 0.92432 0.92955 0.93805 0.94087 0.94224 0.95137 0.95566 0.96099 0.96680 0.97192 0.97609 0.98139 0.98473 0.98869 0.99258 0.99614 1.00362 1.00929 1.01757 1.02510 1.04129 1.04186 1.05650 1.06131 1.07049 1.09469 1.11248 1.11376 1.12924 1.13828 1.14880 1.15675 1.16787 1.17220 1.17803 1.18498 1.19430 1.19625 1.20415 1.21153 1.21533 1.22738 1.23302 1.23623 1.23673 1.24417 1.25342 1.25886 1.26988 1.28324 1.28971 1.29813 1.30386 1.31364 1.32685 1.33132 1.33819 1.35305 1.36608 1.37733 1.37870 1.38410 1.38986 1.39815 1.40665 1.41784 1.42021 1.43152 1.44571 1.44812 1.45579 1.46597 1.47454 1.47865 1.47989 1.49459 1.50871 1.51369 1.51736 1.52866 1.54007 1.55337 1.55701 1.56889 1.58060 1.58261 1.60565 1.61089 1.62288 1.64358 1.65657 1.66662 1.67075 1.68195 1.70027 1.71010 1.71441 1.72991 1.73888 1.75383 1.77541 1.79170 1.81745 1.85519 1.91261 1.91690 1.91860 1.92558 1.92862 1.92925 1.94097 1.95906 2.05000 2.07275 2.09738 2.09838 2.11220 2.12790 2.14922 2.15665 2.17254 2.17662 2.18685 2.20212 2.20471 2.21103 2.22686 2.23503 2.25333 2.25752 2.26507 2.27029 2.28806 2.31817 2.33068 2.34016 2.36655 2.38279 2.40907 2.42296 2.42887 2.44523 2.44686 2.45850 2.48652 2.52623 2.53489 2.54475 2.56073 2.56973 2.58587 2.60406 2.61000 2.62104 2.63145 2.65699 2.66888 2.67732 2.70250 2.70864 2.72107 2.73767 2.75387 2.77734 2.78143 2.83728 2.94382 2.95021 2.96135 2.96963 2.97358 2.97525 2.98263 2.99269 3.00076 3.00801 3.00875 3.01054 3.01405 3.02625 3.02913 3.03298 3.03408 3.03759 3.04746 3.04956 3.05783 3.06058 3.06659 3.07833 3.08452 3.11383 3.11800 3.15954 3.16604 3.17311 3.18284 3.18668 3.19310 3.19863 3.19899 3.20455 3.21077 3.22013 3.23049 3.23494 3.23826 3.24889 3.26714 3.28052 3.47970 3.56165 3.56765 3.57846 3.58225 3.59142 3.60310 3.60984 3.61653 3.63020 3.63896 3.64186 3.65235 3.66001 3.67803 3.73677 3.75964 3.76490 3.77468 3.78642 3.79596 3.79925 3.80710 3.81682 3.81967 3.82698 3.83182 3.84063 3.84898 3.86823 3.88003 4.80746 4.85168 4.86832 4.88793 4.90541 4.91216 4.92199 4.92257 4.93061 4.93739 4.94663 4.95761 4.99117 5.02902 5.06874 5.24383 5.25767 5.26331 5.28915 5.30082 5.30857 5.32502 5.32859 5.34463 5.35536 5.37788 5.38548 5.39574 5.42517 5.49510 5.52770 5.53548 5.54029 5.54526 5.55523 5.56156 5.56912 5.57422 5.58516 5.60022 5.60637 5.62040 5.62796 5.64873 5.77143 49.73566 49.76171 49.76785 49.77585 49.78865 49.79102 49.79309 49.79678 49.82161 49.82350 49.82534 49.84049 49.84901 49.85606 49.87025 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.627007 0.295496 0.317409 -0.759726 0.419003 -0.677533 0.369565 0.321917 0.314368 -0.582329 0.336835 -0.727770 0.421402 -0.751792 0.361418 0.383520 -0.611424 0.419664 0.429851 -0.660203 0.394273 0.378163 -0.709004 0.313476 0.497154 -0.677034 0.317937 0.357165 -0.680460 0.318398 0.353258 -0.835977 0.421190 0.428870 -0.628057 0.332712 0.353767 -0.774672 0.411555 0.328939 -0.903728 0.531987 0.305173 0.453738 0.308027 0.410487 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 41 O O O O O O O O O O O O O O O -0.013807 -0.018806 0.006401 0.050002 0.011041 0.020113 0.735245 0.112233 -0.012009 -0.001932 -0.008805 0.014083 0.058423 -0.034178 0.081997 1.00000 -1.68568405e+00 -4.80992561e-01 1.18414419e+00 1.39020325e+02 -9.75001592e-01 1.33950088e+02 -4.17161480e-01 -1.77755110e+00 1.18466584e+02 -1.3330 -0.0007 0.0005 0.0006 2.6103 3.2522 27.8991 30.0528 34.7665 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.8988 30.0513 34.7653 42.1485 49.3838 60.3730 65.7683 65.9285 70.9392 74.6744 74.7669 77.7657 82.5296 85.7475 94.5110 101.4731 102.9329 111.9691 149.3237 150.3988 156.4986 166.8182 167.9958 175.0220 188.8074 192.4732 195.9528 204.4235 209.0409 214.5525 229.8079 255.5948 259.4085 264.1215 278.5856 285.2651 290.1721 297.2075 307.9193 313.1926 328.6516 330.6265 339.3569 353.0597 363.4141 370.8067 385.1151 411.3413 437.8255 452.4417 464.4591 477.8749 481.1229 494.2328 510.3124 527.6621 538.2879 562.3422 614.3642 631.9474 644.3856 662.3238 672.0588 678.1270 686.6415 703.8411 725.7213 731.8478 741.9214 766.4705 786.9678 819.5458 841.1286 851.6152 870.1166 916.0414 920.3542 935.8484 948.8082 993.1318 1009.8003 1039.1000 1060.0326 1133.1673 1384.5595 1605.4777 1629.0757 1635.8229 1637.5090 1645.0314 1649.9279 1658.9933 1669.1627 1675.9307 1682.6210 1693.1827 1706.0824 1708.1277 1729.4288 1765.0477 1805.4655 1862.9441 2916.6626 3031.7971 3106.3757 3186.9746 3304.6686 3364.3895 3378.8250 3404.4678 3414.9444 3489.8598 3497.9612 3521.5472 3537.1109 3553.7266 3568.0122 3590.1930 3623.2373 3631.8866 3661.8965 3674.1660 3713.8541 3816.1607 3853.9137 3861.5332 3863.2899 3864.5155 3867.0742 3879.7842 3885.6864 3912.9348 5.2327 5.0359 5.4449 5.4085 5.1849 5.9434 5.9119 4.6766 4.7109 2.8198 2.0998 2.6095 6.0470 6.0368 5.8467 5.9870 6.3075 6.4052 2.6088 1.9349 4.6862 3.8527 4.0016 3.9119 4.1921 1.3619 5.7038 4.6361 5.3732 4.9911 5.2589 5.6994 4.9672 3.5694 3.0155 5.0613 1.4403 3.4497 1.4175 5.0440 1.3426 3.2615 4.7523 1.1786 3.1540 1.2054 1.1391 1.1112 1.1111 2.4670 1.2821 1.0776 1.0753 1.0883 1.0602 1.0584 1.0677 1.0699 1.0602 1.0526 1.0566 1.0604 1.0420 1.0567 1.0430 1.0396 1.0601 1.0525 1.0699 1.0719 1.0495 1.0671 1.0497 1.0685 1.0466 1.0567 1.0668 1.0754 1.0515 1.0320 1.0456 1.0552 1.0405 1.0430 1.0882 1.0867 1.0786 1.0771 1.0862 1.0750 1.0753 1.0735 1.0717 1.0711 1.0670 1.0675 1.0674 1.0741 1.0662 1.0393 1.0864 1.0770 1.0883 1.0707 1.0503 1.0680 1.0648 1.0646 1.0715 1.0690 1.0616 1.0679 1.0619 1.0661 1.0524 1.0657 1.0678 1.0577 1.0709 1.0509 1.0530 1.0762 1.0795 1.0445 1.0656 1.0685 1.0671 1.0688 1.0664 1.0701 1.0685 1.0836 0.0024 0.0027 0.0039 0.0057 0.0075 0.0128 0.0151 0.0120 0.0140 0.0093 0.0069 0.0093 0.0243 0.0262 0.0308 0.0363 0.0394 0.0473 0.0343 0.0258 0.0676 0.0632 0.0665 0.0706 0.0880 0.0297 0.1290 0.1141 0.1383 0.1354 0.1636 0.2194 0.1969 0.1467 0.1379 0.2427 0.0714 0.1795 0.0792 0.2915 0.0854 0.2101 0.3225 0.0866 0.2454 0.0977 0.0995 0.1108 0.1255 0.2975 0.1630 0.1450 0.1467 0.1566 0.1627 0.1736 0.1823 0.1993 0.2358 0.2477 0.2585 0.2741 0.2773 0.2863 0.2897 0.3034 0.3290 0.3321 0.3470 0.3710 0.3830 0.4223 0.4376 0.4566 0.4668 0.5224 0.5324 0.5549 0.5577 0.5997 0.6282 0.6713 0.6888 0.7891 1.2290 1.6503 1.6865 1.6981 1.7160 1.7140 1.7248 1.7407 1.7592 1.7725 1.7799 1.8031 1.8305 1.8464 1.8789 1.9077 2.0864 2.2022 5.4546 5.7985 5.9712 6.3914 6.8511 7.1001 7.2074 7.3001 7.2941 7.6633 7.6553 7.7893 7.7575 7.9297 8.0091 8.0327 8.2833 8.1670 8.3190 8.5600 8.7724 8.9622 9.3251 9.3877 9.3838 9.4043 9.3956 9.4905 9.5049 9.7750 0.5645 1.3773 0.8579 1.7312 0.5342 1.7254 0.2530 0.1148 1.0012 2.4493 2.2150 0.4724 0.2580 0.8433 0.6557 0.6347 3.3990 8.1262 16.6372 55.2356 12.7209 21.2053 15.7431 7.0518 11.7322 271.9162 17.2878 34.8012 2.3498 6.0284 8.8029 48.9961 8.7350 24.9802 66.5134 30.7338 119.3825 13.1847 14.0281 23.7182 40.8091 31.6222 8.6646 3.5662 55.5228 80.9237 42.1299 56.7928 20.7663 163.4704 23.5213 62.8380 7.2144 37.3469 89.5130 80.6606 120.0957 20.1853 69.7328 28.1029 44.5372 33.1936 81.8628 66.8945 5.8357 41.2350 66.2085 96.2211 238.1933 185.4681 36.8998 457.3901 139.7253 311.6562 159.9411 126.3446 19.8370 21.8896 188.8589 74.4540 80.3054 96.3585 53.6759 91.9310 381.6321 889.7399 162.0246 16.5717 66.0947 126.5612 270.6953 50.8115 23.8095 11.2723 6.5922 15.0722 37.0823 15.0355 80.4950 462.8728 491.7622 1081.2791 1313.3473 1302.5806 966.2716 843.4719 753.5047 648.1948 1146.1497 463.0066 2171.5203 665.7907 999.2704 476.6227 165.6936 533.4353 858.4116 283.3226 555.8116 640.4532 301.6027 266.1503 610.6640 29.1661 87.3437 106.2485 89.0584 108.9318 83.6542 120.3362 105.8531 123.2565 -0.03 0.33 -0.19 -0.04 0.02 -0.03 0.08 -0.14 0.31 0.03 0.01 0.00 0.01 0.01 -0.01 0.13 -0.02 0.08 0.09 -0.04 0.05 0.05 0.01 0.01 0.18 -0.03 0.09 -0.04 0.01 -0.05 -0.04 0.01 -0.05 0.07 -0.11 0.21 0.02 -0.07 0.11 -0.03 0.00 -0.01 -0.02 0.01 -0.01 -0.03 -0.10 0.01 -0.00 -0.08 0.03 -0.01 -0.08 0.02 -0.02 -0.07 0.00 0.04 -0.05 0.05 0.08 -0.03 0.06 0.04 -0.03 0.03 -0.01 -0.07 0.01 -0.02 -0.07 0.01 0.01 -0.07 0.04 -0.00 0.05 -0.01 0.00 0.06 0.00 0.01 0.04 0.00 -0.03 0.04 -0.04 -0.03 0.06 -0.04 -0.02 0.04 -0.03 -0.04 -0.03 -0.02 -0.04 -0.02 -0.01 -0.06 -0.04 -0.03 -0.03 0.01 -0.02 -0.03 0.02 -0.03 -0.04 -0.01 -0.02 -0.06 -0.03 -0.04 -0.04 -0.01 -0.05 -0.09 -0.03 -0.04 -0.01 -0.06 0.00 -0.01 0.02 -0.05 0.03 0.50 -0.21 0.04 -0.07 0.06 -0.06 0.18 -0.29 -0.03 -0.01 -0.01 -0.11 0.21 0.31 -0.07 0.02 -0.02 -0.00 -0.04 -0.12 0.06 0.02 0.07 0.07 0.02 0.07 -0.05 -0.10 -0.11 -0.03 -0.09 -0.10 0.08 0.03 0.08 -0.08 -0.10 -0.14 -0.07 0.02 -0.01 -0.05 0.03 0.03 0.01 -0.03 -0.10 0.01 -0.02 -0.11 -0.02 -0.01 -0.02 0.00 0.02 0.01 0.02 -0.06 -0.06 0.02 -0.04 -0.06 0.01 -0.06 -0.07 0.01 -0.04 -0.05 0.05 -0.02 -0.07 0.02 -0.06 -0.08 0.06 0.00 -0.02 0.01 -0.08 -0.06 -0.00 -0.10 -0.06 0.04 -0.04 -0.06 0.02 0.04 0.06 0.01 0.05 0.07 0.03 0.03 0.07 -0.01 0.06 0.08 -0.02 0.08 0.10 -0.01 0.06 0.08 0.01 -0.03 -0.03 -0.00 -0.02 -0.03 0.01 -0.03 -0.05 0.06 0.02 0.06 0.03 0.04 0.07 0.05 0.00 0.03 0.00 -0.02 -0.09 -0.02 -0.00 -0.07 0.01 -0.03 -0.11 0.02 -0.04 -0.04 -0.00 -0.00 0.04 -0.27 0.28 0.37 0.04 -0.04 -0.05 -0.01 0.15 0.42 -0.01 -0.03 -0.03 -0.08 0.06 0.08 -0.02 -0.08 0.03 -0.09 0.02 -0.23 0.02 0.01 -0.13 0.03 0.03 -0.08 0.32 0.18 0.14 0.18 0.11 0.08 0.03 0.03 -0.16 0.45 0.14 0.18 -0.02 -0.07 0.06 -0.01 -0.05 0.08 -0.07 0.01 -0.17 -0.03 -0.01 -0.08 -0.04 -0.04 -0.03 -0.06 -0.08 -0.05 -0.05 0.01 -0.03 -0.00 -0.01 -0.02 -0.02 -0.01 -0.04 -0.01 0.00 -0.02 0.04 0.03 0.03 0.13 0.10 0.07 0.03 0.02 -0.06 -0.06 0.04 -0.01 -0.08 0.05 -0.02 0.01 0.01 0.00 -0.09 -0.12 -0.06 -0.17 -0.17 -0.07 -0.05 -0.07 -0.09 -0.02 -0.10 0.10 -0.02 -0.13 0.12 -0.05 -0.11 0.06 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.02 0.05 0.02 -0.00 0.01 0.06 0.02 0.04 0.02 0.02 -0.02 0.05 -0.00 -0.04 0.06 0.04 -0.01 0.07 -0.03 -0.01 -0.05 -0.04 -0.01 -0.03 -0.14 0.09 0.10 -0.03 -0.01 -0.08 -0.03 -0.01 0.12 -0.05 -0.01 -0.02 0.02 -0.15 0.09 -0.04 0.07 -0.11 0.20 -0.06 0.39 -0.02 -0.01 0.01 0.01 -0.01 0.04 0.07 0.07 -0.03 0.06 0.05 -0.03 0.00 -0.01 0.03 0.09 0.06 -0.02 -0.01 0.05 -0.11 0.01 0.03 -0.04 0.16 -0.05 0.28 0.09 -0.02 0.10 -0.07 0.09 -0.08 -0.09 0.07 -0.07 -0.01 0.00 -0.03 -0.01 0.03 -0.07 0.01 0.04 -0.06 -0.00 0.02 -0.09 -0.02 0.03 -0.06 -0.01 0.05 -0.05 -0.02 0.02 -0.06 -0.01 0.02 -0.02 -0.02 0.02 -0.03 -0.01 0.03 -0.07 -0.17 -0.04 0.05 -0.29 -0.07 0.07 -0.13 -0.04 0.04 -0.01 -0.08 0.13 -0.01 -0.12 0.18 -0.07 -0.07 0.13 0.01 0.02 -0.11 -0.03 0.05 -0.09 0.00 0.02 -0.13 0.06 -0.00 0.08 0.03 -0.02 0.12 0.06 0.01 0.02 -0.00 0.03 -0.13 0.02 0.05 -0.15 -0.05 0.03 -0.13 0.02 0.02 -0.03 0.02 0.02 -0.01 -0.04 -0.19 0.11 0.03 0.01 0.03 0.06 -0.14 0.15 -0.08 0.11 -0.07 0.15 0.03 -0.07 -0.08 0.06 -0.02 0.06 0.08 -0.09 -0.04 0.03 -0.06 -0.03 0.04 -0.02 0.07 -0.11 -0.06 0.09 -0.12 -0.01 -0.02 0.05 -0.06 0.07 -0.12 -0.08 -0.06 0.04 -0.05 -0.05 0.01 0.01 0.03 0.09 -0.17 0.03 0.08 -0.17 -0.05 0.03 0.02 -0.04 0.04 -0.01 0.04 -0.09 0.18 -0.07 -0.00 0.10 -0.00 0.00 0.17 -0.06 -0.01 0.04 -0.02 -0.02 -0.05 0.01 -0.06 -0.06 -0.03 0.01 -0.07 0.06 -0.15 0.13 0.07 -0.26 0.17 -0.04 -0.02 0.04 -0.10 -0.04 -0.02 -0.15 -0.07 -0.03 -0.09 -0.01 -0.04 -0.05 -0.02 0.10 -0.05 -0.03 0.13 -0.07 -0.03 0.07 -0.04 0.00 0.00 -0.06 0.03 0.01 -0.01 0.01 -0.04 -0.02 0.06 0.05 -0.03 0.04 0.07 -0.02 0.04 0.05 0.05 0.05 -0.15 0.02 0.05 -0.12 0.08 0.03 -0.18 0.07 0.02 0.22 0.08 0.04 0.16 0.30 -0.04 -0.12 0.09 0.03 0.15 0.03 0.22 -0.16 -0.02 0.00 0.06 -0.02 -0.01 0.02 0.11 0.21 0.13 0.02 -0.09 -0.05 -0.03 -0.08 0.05 -0.06 -0.09 0.01 0.13 0.02 -0.08 0.10 0.00 -0.08 0.03 -0.08 0.11 0.18 0.01 -0.04 0.15 0.15 0.01 0.09 0.05 -0.06 0.04 -0.07 -0.07 0.04 -0.04 -0.01 -0.04 0.20 0.21 -0.06 0.16 0.14 -0.01 -0.08 -0.06 0.07 0.01 -0.05 0.03 -0.05 -0.08 0.06 0.01 0.06 -0.01 -0.07 -0.12 -0.01 -0.05 -0.11 -0.01 -0.09 -0.11 -0.03 -0.07 -0.03 -0.13 -0.17 -0.04 0.05 -0.03 -0.09 -0.13 0.06 0.03 -0.15 0.08 0.05 -0.15 0.03 0.05 -0.02 -0.04 -0.12 -0.00 -0.07 -0.14 -0.05 -0.01 -0.08 -0.02 0.03 0.18 -0.05 0.08 0.20 0.01 0.04 0.12 -0.14 -0.10 -0.03 -0.06 -0.10 -0.09 -0.13 -0.09 0.07 0.05 0.07 0.07 0.08 0.10 0.04 0.01 0.07 0.05 0.01 -0.08 -0.06 0.01 -0.06 -0.05 -0.07 0.08 0.04 0.03 -0.08 -0.06 0.02 -0.10 0.04 -0.05 0.16 0.15 -0.13 -0.03 -0.06 0.20 -0.01 -0.09 0.06 -0.07 -0.00 -0.05 0.18 -0.01 -0.04 0.20 0.04 -0.04 0.02 -0.03 -0.02 0.03 -0.02 -0.05 0.21 -0.05 -0.05 0.03 -0.02 0.21 -0.04 -0.15 0.22 -0.05 -0.09 0.02 -0.08 -0.05 0.04 -0.10 -0.01 0.03 0.02 0.06 0.02 0.02 0.07 -0.04 -0.01 0.02 -0.11 -0.06 0.00 -0.12 -0.08 0.00 -0.12 -0.05 0.02 -0.02 -0.00 -0.02 -0.02 -0.00 -0.02 -0.03 0.08 -0.01 -0.02 0.02 0.01 -0.03 -0.00 0.01 -0.08 -0.05 -0.01 0.04 0.02 0.04 0.02 -0.03 -0.00 0.00 0.07 0.01 0.24 -0.06 0.07 0.26 -0.11 0.06 0.19 -0.05 0.06 -0.10 -0.08 0.05 -0.08 -0.07 0.05 -0.08 -0.07 0.04 -0.00 0.20 0.09 0.02 0.16 0.10 -0.02 0.17 0.14 0.06 -0.06 -0.03 0.12 -0.05 -0.10 0.03 -0.08 -0.08 -0.12 -0.07 0.01 -0.12 -0.05 0.01 -0.08 -0.09 -0.08 -0.09 -0.08 -0.02 -0.17 0.07 -0.08 0.02 0.04 0.07 0.00 -0.08 0.03 -0.08 -0.06 0.09 0.26 0.03 0.05 0.01 0.08 -0.01 0.00 0.07 -0.04 -0.00 -0.00 0.05 -0.07 -0.04 0.02 0.01 0.07 0.00 0.03 -0.03 0.03 -0.01 -0.08 0.14 -0.03 -0.12 0.12 0.21 0.01 -0.00 0.21 -0.01 -0.04 -0.13 -0.05 0.02 -0.12 -0.03 0.03 -0.10 -0.03 -0.03 -0.03 -0.05 -0.01 -0.03 -0.02 -0.02 -0.03 -0.04 -0.03 0.02 0.01 0.06 0.03 0.01 0.06 0.02 0.04 0.05 -0.15 -0.07 -0.01 -0.18 -0.08 -0.02 -0.01 -0.03 0.03 -0.02 0.11 -0.03 0.04 0.13 -0.03 -0.00 0.11 -0.03 -0.05 0.09 -0.08 -0.06 0.12 -0.07 -0.04 0.08 -0.08 -0.02 -0.06 0.01 -0.07 -0.06 0.01 0.05 -0.04 -0.00 -0.03 0.06 -0.10 -0.03 0.08 -0.11 -0.06 0.01 -0.04 0.21 -0.04 -0.04 0.15 -0.07 0.03 0.27 -0.04 -0.02 -0.00 0.05 -0.04 -0.01 0.09 -0.03 0.00 -0.35 0.03 0.06 0.04 -0.04 -0.05 0.31 0.12 -0.13 -0.06 0.02 -0.07 -0.03 -0.03 0.02 -0.07 -0.05 -0.02 0.11 0.01 -0.04 -0.04 0.18 -0.01 -0.07 0.13 0.22 -0.06 -0.02 0.13 -0.11 -0.04 -0.05 -0.08 0.22 0.30 -0.09 -0.02 0.02 -0.06 -0.03 0.03 -0.05 -0.04 -0.06 0.08 0.00 -0.03 0.04 0.02 -0.00 -0.05 -0.07 0.03 -0.01 -0.01 -0.02 -0.09 -0.06 -0.09 0.11 0.01 -0.08 0.12 0.03 -0.07 0.10 -0.00 -0.07 0.10 -0.04 -0.04 0.04 -0.05 -0.07 0.09 -0.03 0.00 -0.14 -0.10 0.03 -0.18 -0.07 -0.10 0.11 -0.01 0.07 0.08 0.12 0.06 0.12 0.15 0.03 0.02 0.16 0.07 0.01 -0.05 0.07 0.04 -0.09 0.09 0.03 -0.00 0.01 0.02 -0.06 0.02 -0.01 -0.07 0.02 0.02 -0.03 0.02 -0.10 0.03 0.02 -0.06 -0.00 0.03 -0.07 -0.03 -0.00 -0.01 0.02 0.00 -0.02 0.01 0.00 -0.00 0.03 -0.09 0.08 0.04 -0.09 0.07 0.03 0.00 -0.29 -0.05 -0.09 0.07 0.05 -0.16 0.35 0.00 -0.00 -0.08 -0.09 -0.02 0.01 0.01 0.04 0.02 -0.05 -0.08 0.01 -0.08 0.07 0.01 -0.02 0.02 0.02 -0.03 -0.05 -0.11 0.06 -0.05 -0.09 0.02 0.07 0.03 -0.04 -0.14 -0.10 -0.00 0.06 -0.00 -0.07 0.05 -0.02 -0.08 -0.03 0.01 0.00 -0.03 0.03 0.03 -0.04 0.03 -0.04 -0.04 0.02 -0.06 -0.02 -0.04 -0.05 0.08 -0.02 0.06 0.05 -0.02 0.02 0.04 0.01 0.02 0.09 0.01 0.12 0.07 -0.03 0.10 0.09 -0.01 0.10 -0.02 -0.06 -0.05 -0.01 -0.05 -0.05 0.10 -0.00 0.10 -0.08 -0.03 -0.00 -0.13 -0.04 0.01 -0.02 -0.02 -0.01 0.03 -0.09 -0.02 0.03 -0.12 -0.02 -0.01 -0.07 -0.01 -0.01 0.10 -0.02 -0.01 0.11 -0.02 -0.03 0.09 -0.03 -0.03 0.02 -0.03 -0.02 0.00 -0.02 -0.02 0.04 -0.02 -0.04 0.10 0.05 -0.00 0.07 0.00 -0.06 0.12 0.09 -0.01 0.00 -0.03 -0.01 0.01 -0.03 0.03 -0.47 -0.00 -0.00 0.00 -0.03 -0.13 0.61 0.11 -0.04 0.02 -0.06 -0.05 0.00 -0.01 -0.02 0.07 0.05 -0.03 0.05 -0.03 -0.01 -0.03 -0.06 0.02 -0.02 -0.04 0.02 0.03 -0.02 0.01 0.03 -0.04 -0.01 -0.03 -0.06 0.02 0.03 0.00 -0.04 0.06 0.00 -0.04 0.06 0.00 -0.01 0.02 0.06 -0.03 0.00 -0.00 0.06 0.01 0.09 0.05 -0.01 0.07 0.00 0.03 -0.04 0.01 0.00 0.03 -0.01 0.00 0.01 0.04 -0.02 0.07 -0.01 -0.04 -0.04 0.01 -0.02 -0.03 -0.02 -0.03 -0.05 0.01 0.03 -0.04 -0.00 0.01 -0.04 -0.01 -0.02 0.00 0.04 -0.04 -0.04 0.08 -0.05 -0.07 0.01 -0.02 -0.05 -0.04 0.03 0.04 -0.05 0.05 0.06 -0.03 0.02 0.01 0.05 -0.07 0.08 0.06 -0.05 0.08 0.03 -0.07 0.06 0.05 -0.01 0.00 0.04 -0.01 0.01 0.04 -0.03 0.03 -0.03 -0.05 -0.07 -0.04 -0.00 -0.04 -0.02 -0.08 -0.13 -0.04 0.03 -0.02 -0.04 0.03 -0.01 0.04 -0.53 -0.04 -0.04 0.03 -0.02 -0.18 0.68 0.07 0.05 0.00 0.05 0.05 0.04 -0.00 0.00 -0.05 -0.01 -0.05 -0.08 -0.16 -0.02 -0.02 0.05 -0.03 -0.01 0.05 -0.01 0.09 -0.05 0.04 0.10 0.00 -0.00 -0.01 0.05 0.00 0.09 -0.02 0.00 -0.02 0.08 0.01 0.02 0.07 0.02 -0.08 -0.02 0.02 -0.06 0.02 -0.00 0.01 -0.09 0.00 0.02 -0.07 0.05 0.03 0.07 -0.03 -0.05 -0.07 0.00 -0.07 -0.03 -0.05 -0.03 -0.10 -0.01 -0.03 -0.07 -0.03 0.02 -0.05 -0.01 -0.02 -0.04 0.07 0.08 0.08 0.08 0.10 0.07 0.01 -0.05 -0.08 -0.00 0.03 0.03 -0.03 0.04 0.05 -0.00 0.00 0.04 0.00 0.02 -0.00 0.01 0.01 -0.05 0.01 0.02 0.01 -0.07 0.02 -0.08 -0.06 0.00 -0.09 -0.05 0.02 -0.06 -0.06 -0.02 0.04 -0.07 0.00 0.04 -0.05 -0.01 -0.00 0.01 -0.01 0.08 0.01 -0.03 0.08 -0.01 0.02 0.14 0.06 -0.08 0.03 0.05 -0.07 0.04 0.17 -0.45 -0.04 0.07 -0.08 -0.01 -0.09 0.65 0.05 0.01 0.04 -0.03 -0.02 0.03 0.00 -0.00 -0.05 -0.02 -0.08 -0.04 -0.06 0.15 0.03 0.03 0.18 -0.01 -0.04 -0.06 0.14 -0.11 -0.06 0.10 -0.03 0.15 -0.03 0.10 -0.05 0.11 -0.17 0.01 -0.08 -0.08 -0.01 -0.10 -0.11 -0.07 -0.06 0.00 -0.06 -0.09 0.00 -0.11 -0.01 0.07 -0.13 -0.03 0.09 -0.11 -0.00 0.19 0.00 0.11 0.04 0.02 0.05 0.08 0.02 0.09 0.05 0.11 0.14 -0.07 0.08 0.14 -0.07 0.11 0.13 -0.05 -0.11 0.01 0.20 -0.13 -0.05 0.20 0.05 0.12 -0.03 -0.10 0.03 0.05 -0.07 0.04 0.05 -0.04 0.04 0.04 0.00 -0.07 -0.10 -0.01 -0.06 -0.02 -0.05 -0.04 -0.06 0.14 -0.05 0.00 0.07 -0.05 0.01 0.12 -0.05 0.01 0.16 -0.03 -0.17 0.15 -0.04 -0.15 0.15 -0.06 -0.13 -0.06 -0.09 -0.01 -0.04 -0.07 -0.02 -0.08 -0.08 -0.01 -0.03 -0.07 0.12 -0.02 -0.08 0.08 0.05 -0.08 -0.02 -0.05 -0.07 0.11 -0.08 0.14 -0.03 -0.12 0.04 0.11 0.17 0.02 0.05 -0.02 -0.12 -0.09 -0.15 0.16 -0.01 0.06 0.02 0.05 -0.02 0.04 0.05 0.03 0.11 -0.05 -0.03 0.07 -0.06 0.09 0.07 0.03 0.11 0.09 -0.02 -0.03 -0.14 -0.16 -0.02 -0.14 -0.13 -0.09 0.17 0.09 -0.11 0.20 0.07 -0.04 -0.13 0.09 -0.03 -0.11 0.09 -0.02 0.08 -0.04 0.04 -0.09 -0.09 0.06 -0.06 -0.08 0.03 -0.08 -0.05 0.06 -0.07 -0.07 0.05 -0.01 -0.06 0.07 -0.04 -0.04 -0.12 -0.00 0.01 -0.19 -0.03 -0.01 0.05 -0.09 -0.08 0.07 -0.01 0.06 0.12 -0.00 0.05 0.06 -0.00 0.06 0.04 -0.05 -0.04 0.04 -0.03 -0.05 0.05 -0.04 -0.01 -0.11 -0.03 0.11 -0.12 -0.05 0.11 -0.14 -0.03 0.11 -0.14 0.04 0.04 -0.09 0.03 0.01 -0.15 0.02 0.11 -0.09 0.02 -0.02 -0.06 -0.02 -0.07 -0.02 -0.02 -0.09 0.15 0.13 -0.07 0.14 0.12 -0.03 0.14 -0.03 0.06 0.12 0.13 -0.04 0.19 0.10 0.10 -0.03 -0.11 0.12 -0.13 -0.05 -0.04 -0.05 0.01 -0.01 0.21 -0.05 0.19 0.21 -0.11 0.02 0.09 -0.08 0.02 -0.02 0.06 -0.09 -0.01 0.06 -0.07 0.22 -0.06 -0.03 -0.05 0.06 -0.14 -0.05 0.01 -0.01 -0.04 -0.01 0.01 0.13 -0.02 -0.03 0.09 0.00 -0.09 0.08 -0.07 -0.01 0.07 -0.07 -0.02 -0.02 0.04 0.04 -0.06 0.02 0.06 -0.08 -0.06 0.06 -0.12 0.08 0.07 0.17 0.13 -0.02 0.15 0.10 -0.04 0.17 0.07 -0.03 0.03 0.06 0.01 0.07 0.04 0.03 0.05 0.07 0.01 0.11 -0.11 0.03 0.13 -0.08 0.05 0.17 -0.12 0.04 -0.11 -0.04 0.01 -0.10 -0.03 -0.07 -0.05 -0.05 0.01 -0.14 0.06 0.05 -0.07 0.05 0.04 -0.05 0.07 0.04 -0.18 -0.05 0.06 -0.20 -0.01 0.05 -0.20 -0.09 0.05 0.08 0.11 -0.09 0.05 0.09 -0.06 0.11 0.10 -0.10 -0.12 -0.01 0.05 -0.12 0.01 0.04 -0.11 0.06 -0.05 -0.07 -0.02 0.01 -0.14 -0.11 -0.09 0.07 -0.05 -0.01 0.01 0.02 0.01 -0.05 -0.04 -0.07 0.05 -0.20 -0.00 -0.10 -0.10 -0.06 -0.06 -0.09 -0.01 -0.02 0.02 0.08 -0.06 -0.03 0.12 -0.15 -0.10 -0.11 0.04 -0.02 0.04 -0.06 -0.07 -0.14 -0.04 -0.06 -0.09 0.08 -0.15 -0.06 0.03 -0.07 -0.09 -0.04 -0.10 0.06 -0.02 -0.08 0.01 -0.05 -0.10 0.06 0.06 0.15 -0.10 0.04 0.10 -0.11 0.07 0.13 -0.03 -0.10 0.10 0.06 -0.11 0.12 0.06 -0.09 0.01 0.04 -0.11 -0.08 0.11 -0.16 -0.04 0.08 0.01 0.14 -0.05 0.12 0.03 -0.12 0.18 0.04 -0.12 0.06 -0.00 -0.09 0.08 0.09 0.04 0.06 0.13 0.08 0.09 0.07 -0.01 0.06 0.11 0.08 -0.01 0.09 0.08 0.07 0.12 0.06 0.00 -0.06 0.13 0.07 -0.05 0.08 0.03 0.00 0.15 -0.04 0.15 -0.05 -0.03 0.12 -0.07 -0.05 0.17 -0.02 0.05 -0.13 -0.04 0.04 -0.11 -0.04 0.02 -0.18 0.01 0.06 -0.13 -0.03 0.00 0.16 0.06 -0.02 -0.11 0.09 0.06 0.03 0.01 -0.04 0.03 0.02 -0.01 -0.10 -0.09 -0.08 0.19 0.10 -0.09 0.16 0.03 0.02 -0.07 0.07 0.04 -0.07 0.10 -0.14 0.16 0.07 -0.01 -0.07 0.02 -0.05 0.03 -0.01 -0.07 -0.00 -0.04 0.04 -0.09 -0.02 0.01 -0.05 -0.05 0.12 -0.03 0.08 0.11 -0.03 0.13 0.12 -0.05 -0.05 -0.03 0.10 -0.17 -0.03 0.09 -0.16 0.00 0.07 -0.08 -0.06 0.15 0.08 -0.09 0.11 0.06 -0.06 0.17 0.12 0.10 0.00 -0.02 0.09 0.07 -0.05 -0.07 0.13 -0.09 0.03 -0.14 0.17 0.07 -0.18 0.12 -0.01 -0.07 0.13 -0.16 -0.15 -0.04 -0.16 -0.13 -0.07 -0.13 -0.13 0.01 0.00 -0.02 0.06 0.05 -0.06 0.04 0.01 -0.02 0.10 -0.05 0.10 -0.18 -0.08 0.04 -0.11 -0.06 0.07 -0.13 -0.01 -0.02 -0.06 -0.03 0.01 -0.03 -0.00 -0.05 -0.11 0.07 -0.07 -0.07 0.06 -0.06 -0.03 0.08 -0.10 0.00 0.06 -0.07 -0.05 0.05 0.11 0.03 0.10 -0.03 0.04 0.09 0.02 0.01 0.09 0.08 0.05 -0.12 0.08 -0.13 0.16 -0.14 -0.07 0.14 -0.13 -0.05 -0.03 -0.10 0.06 -0.02 -0.11 0.08 0.14 -0.14 -0.08 -0.12 -0.12 -0.06 0.09 0.07 0.03 0.08 0.06 0.02 -0.09 0.04 0.03 -0.05 -0.01 0.07 -0.02 0.10 0.04 -0.01 0.08 -0.06 0.06 -0.03 -0.02 -0.15 0.06 -0.20 -0.11 0.06 -0.14 -0.12 0.04 -0.14 0.05 0.24 0.11 0.05 0.15 0.08 0.05 0.10 0.04 0.03 -0.03 0.00 0.00 -0.01 -0.01 -0.14 0.18 -0.12 -0.07 0.04 -0.12 -0.13 0.06 -0.08 0.01 0.00 -0.10 0.04 0.06 0.04 0.06 0.01 0.03 0.02 0.04 -0.01 -0.12 -0.14 0.02 -0.14 -0.14 0.02 -0.07 -0.12 0.04 -0.04 -0.05 0.10 -0.04 -0.00 0.06 -0.07 -0.11 0.12 -0.00 -0.18 0.01 0.03 -0.12 0.00 -0.01 -0.22 -0.06 0.06 0.02 -0.04 0.05 0.01 0.01 0.10 -0.01 0.00 0.03 0.03 0.01 0.08 0.05 0.01 0.00 0.05 0.05 0.05 -0.03 0.02 0.05 0.13 0.04 0.23 -0.09 0.64 -0.05 0.00 -0.02 -0.01 0.00 -0.00 -0.02 0.08 -0.03 -0.06 0.06 -0.05 -0.11 -0.02 -0.05 -0.02 0.06 -0.09 0.06 0.11 0.02 0.04 0.08 -0.01 -0.02 0.01 -0.06 -0.00 0.02 -0.01 0.02 0.02 0.02 0.01 0.02 0.04 -0.07 -0.04 -0.03 -0.05 -0.10 -0.03 -0.02 -0.06 -0.01 -0.08 -0.09 -0.10 0.02 0.04 0.05 0.02 0.07 0.06 0.02 0.07 0.04 -0.11 -0.09 -0.01 -0.18 -0.19 -0.01 0.03 -0.10 0.04 0.10 -0.05 0.01 0.15 -0.05 -0.00 0.06 -0.04 0.02 -0.04 -0.03 0.01 -0.03 -0.03 -0.01 -0.02 -0.03 0.01 -0.00 -0.01 -0.08 -0.00 -0.00 -0.09 -0.02 -0.02 -0.07 0.06 -0.03 -0.01 0.02 -0.03 0.02 0.06 -0.01 -0.07 -0.05 0.02 0.05 -0.01 0.04 0.02 -0.10 0.04 0.06 0.01 0.01 0.02 0.01 0.03 0.02 0.01 0.26 0.03 0.02 0.01 0.02 -0.03 0.27 0.02 0.02 0.03 0.02 0.03 -0.03 0.01 -0.06 -0.14 -0.06 0.31 -0.14 0.75 0.02 -0.00 0.00 0.02 -0.01 -0.00 0.00 -0.02 0.01 0.02 0.00 -0.01 0.04 -0.01 0.02 -0.05 -0.00 0.00 -0.10 -0.08 0.01 -0.06 0.02 0.04 0.02 -0.02 -0.07 0.01 0.01 -0.07 0.01 0.01 0.03 0.01 0.00 0.01 0.05 0.04 -0.05 -0.01 0.02 0.00 -0.02 0.01 -0.00 0.00 0.01 0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.07 0.07 -0.05 0.06 0.04 -0.05 -0.03 0.02 -0.01 -0.09 0.02 -0.00 -0.12 0.01 0.00 -0.06 0.02 -0.01 0.09 0.00 -0.04 0.09 -0.01 -0.05 0.07 0.02 -0.02 -0.01 -0.02 0.05 -0.01 -0.02 0.05 -0.01 -0.02 0.04 0.01 0.00 0.00 0.03 0.00 -0.01 0.01 -0.00 0.03 -0.05 0.01 0.01 -0.06 -0.01 0.02 -0.03 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.24 0.02 0.00 0.01 -0.01 -0.07 0.30 0.02 0.00 0.02 0.02 -0.06 0.00 -0.01 -0.10 -0.05 0.04 -0.17 0.11 -0.30 -0.13 0.03 -0.03 -0.09 0.06 0.02 0.00 0.04 -0.06 -0.00 0.03 -0.04 -0.18 0.03 -0.09 -0.04 0.02 -0.16 -0.16 0.04 0.18 -0.10 0.19 0.21 -0.04 0.05 0.07 -0.08 0.05 -0.03 0.01 0.03 0.04 0.03 0.04 0.03 0.01 -0.04 0.02 0.05 -0.09 -0.04 0.05 -0.08 -0.07 -0.00 -0.06 -0.09 0.09 0.10 0.07 0.06 0.11 0.07 0.10 0.13 0.06 0.00 -0.05 0.02 -0.01 -0.08 0.02 0.16 -0.11 0.06 -0.02 -0.03 0.02 -0.06 -0.05 0.02 -0.04 -0.03 0.02 0.22 -0.09 -0.14 0.25 -0.12 -0.25 0.22 -0.04 -0.06 0.03 0.02 -0.03 -0.00 0.03 -0.03 0.04 0.02 -0.05 -0.03 -0.03 0.07 0.01 -0.06 0.06 -0.01 0.01 0.08 0.02 0.02 -0.14 -0.08 0.06 -0.03 0.08 -0.00 -0.17 0.00 -0.03 0.03 0.00 -0.04 0.03 -0.02 -0.05 -0.03 -0.02 -0.03 0.02 -0.04 -0.14 -0.05 0.02 0.02 0.05 -0.14 -0.06 -0.04 0.02 0.06 0.04 0.06 0.07 0.42 0.08 -0.01 0.02 0.04 -0.02 -0.01 0.01 -0.09 0.07 0.04 -0.12 0.15 0.12 0.01 0.04 0.07 -0.10 0.11 0.03 0.07 0.07 0.03 0.07 0.08 -0.08 0.12 0.03 -0.09 0.12 0.02 -0.00 -0.03 -0.04 0.01 -0.01 -0.04 0.01 -0.04 0.21 0.05 0.04 -0.12 0.04 0.01 -0.12 0.07 0.03 -0.05 -0.05 -0.09 -0.06 -0.06 -0.08 -0.07 -0.05 -0.12 -0.03 -0.01 0.00 0.23 -0.04 0.03 0.21 -0.04 0.05 -0.14 0.03 -0.01 0.01 0.02 -0.02 0.01 0.04 -0.01 0.00 0.02 -0.03 -0.00 0.04 -0.06 -0.03 0.02 -0.03 -0.00 -0.04 0.02 -0.02 -0.03 0.01 -0.02 -0.03 0.03 0.00 0.03 0.03 -0.04 0.00 0.02 -0.02 0.03 0.03 -0.06 0.05 0.04 -0.06 0.03 0.07 -0.04 0.10 -0.00 -0.12 0.02 -0.03 -0.07 0.02 -0.04 -0.07 -0.26 0.25 0.00 -0.03 -0.03 -0.03 -0.19 0.30 0.03 0.03 -0.01 0.04 0.03 0.04 0.01 -0.06 0.01 0.00 -0.09 -0.03 -0.39 0.12 -0.04 -0.00 0.14 -0.07 -0.03 -0.00 -0.03 0.04 -0.02 -0.04 0.03 0.14 -0.06 0.04 0.06 -0.03 0.12 -0.09 0.06 0.05 -0.07 0.13 0.06 0.10 -0.04 -0.01 0.07 0.02 -0.02 0.02 0.02 0.06 0.02 0.02 0.04 -0.03 0.02 0.00 -0.17 -0.02 0.01 -0.13 0.01 0.06 -0.14 -0.04 -0.00 -0.07 -0.06 -0.04 -0.03 -0.07 -0.05 -0.08 -0.06 -0.06 -0.06 -0.00 0.01 -0.06 0.02 0.00 -0.19 0.03 -0.05 0.03 -0.03 0.02 0.01 -0.04 0.02 0.04 -0.02 0.02 0.10 -0.06 -0.05 0.11 -0.08 -0.07 0.09 -0.04 -0.02 -0.12 -0.03 -0.00 -0.06 -0.01 -0.01 -0.09 -0.03 -0.02 0.18 0.02 -0.06 0.11 0.00 0.01 0.18 -0.01 -0.13 -0.07 0.16 0.04 -0.09 0.13 0.04 -0.08 0.19 0.09 -0.01 0.05 -0.04 -0.01 0.08 -0.03 0.08 -0.34 -0.01 0.06 0.04 -0.05 0.14 -0.28 0.01 0.03 0.01 0.05 0.12 0.06 0.04 0.05 0.10 0.07 0.09 -0.13 0.36 0.08 0.00 0.03 -0.01 0.01 0.01 -0.04 0.05 0.05 -0.08 0.04 -0.00 0.13 0.05 0.03 0.05 0.05 0.14 0.02 0.13 0.10 0.04 0.18 0.12 -0.05 -0.08 -0.03 -0.06 -0.08 -0.05 0.01 -0.05 -0.12 0.02 -0.04 -0.10 -0.11 -0.03 -0.06 0.03 0.14 0.09 0.02 0.11 0.11 0.07 0.12 0.13 -0.06 -0.05 -0.04 -0.05 -0.05 -0.04 -0.06 -0.09 -0.03 -0.12 -0.04 -0.06 -0.11 -0.03 -0.06 -0.06 0.13 -0.00 0.01 -0.03 0.01 -0.06 -0.04 0.02 0.03 -0.02 -0.00 0.10 -0.03 -0.01 0.14 -0.11 -0.10 0.09 -0.03 -0.01 0.02 0.02 0.02 0.04 -0.00 0.02 0.01 0.03 0.04 -0.12 0.05 -0.01 -0.09 0.04 -0.03 -0.13 0.03 0.03 -0.01 -0.11 -0.09 -0.03 0.01 -0.05 -0.03 -0.15 -0.20 -0.02 -0.02 0.00 -0.01 -0.04 -0.03 0.19 -0.31 0.02 -0.04 -0.02 0.02 0.19 -0.15 0.05 0.02 -0.06 -0.12 -0.01 -0.04 -0.01 0.06 0.03 -0.03 -0.09 0.05 -0.30 -0.00 -0.05 -0.02 -0.00 -0.08 -0.05 -0.01 0.06 -0.02 -0.02 0.06 -0.02 -0.02 -0.07 -0.01 -0.06 0.05 -0.09 0.02 0.06 -0.02 0.05 0.11 -0.00 0.03 0.01 0.02 0.02 0.02 0.01 0.07 -0.11 -0.07 0.08 -0.11 -0.05 -0.00 -0.03 0.00 -0.02 -0.04 -0.03 -0.02 -0.04 -0.03 -0.02 -0.04 -0.00 -0.01 0.02 0.04 -0.01 0.06 0.05 -0.01 0.00 0.02 -0.01 -0.06 -0.00 0.01 -0.05 0.00 0.01 -0.04 0.01 -0.14 -0.11 0.11 -0.25 -0.15 0.12 -0.06 -0.08 0.09 0.13 0.22 0.10 0.12 0.24 0.18 0.13 0.23 0.09 0.01 -0.04 0.06 0.02 -0.08 0.06 0.02 -0.05 0.07 -0.06 -0.02 -0.19 0.05 0.03 -0.31 -0.07 -0.04 -0.04 -0.01 0.07 0.02 -0.00 0.08 0.01 -0.01 0.06 -0.01 0.01 -0.01 0.02 0.00 0.01 0.03 -0.08 0.33 0.01 0.03 -0.01 0.01 -0.08 0.20 -0.00 0.08 -0.08 -0.04 0.06 -0.07 0.00 -0.02 0.02 0.02 -0.14 0.04 -0.43 0.03 0.00 0.01 0.01 0.00 0.00 -0.01 0.02 0.01 -0.02 0.02 -0.01 0.04 0.01 0.02 -0.02 0.02 0.01 -0.02 0.01 0.01 -0.02 0.00 0.02 0.01 -0.03 0.03 0.01 -0.05 0.01 -0.02 0.01 -0.01 -0.01 0.02 -0.01 -0.02 -0.01 -0.04 -0.01 0.03 0.03 -0.02 0.01 0.03 -0.00 0.03 0.04 -0.02 -0.01 -0.01 -0.02 -0.01 -0.00 -0.03 -0.02 -0.01 -0.01 -0.00 -0.04 -0.00 0.01 -0.04 -0.03 0.03 0.00 0.03 0.03 -0.03 0.03 0.03 -0.02 0.02 0.02 -0.02 0.00 -0.06 -0.00 0.01 -0.07 -0.02 -0.01 -0.06 -0.01 -0.01 0.01 0.01 0.00 0.02 0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.03 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.12 0.69 0.06 -0.00 -0.02 0.01 -0.08 0.48 0.05 -0.02 -0.00 -0.02 0.01 0.02 0.00 -0.11 -0.10 0.00 -0.01 -0.01 0.09 0.00 -0.07 -0.03 -0.06 -0.11 -0.13 0.01 -0.01 -0.02 0.03 -0.00 -0.01 0.00 -0.10 0.00 0.01 -0.01 0.01 -0.08 -0.11 0.02 -0.04 -0.10 0.14 -0.04 -0.00 0.01 -0.04 -0.01 0.01 -0.05 0.17 0.13 -0.04 0.18 0.11 0.01 -0.00 -0.02 0.00 0.00 0.01 0.01 0.01 0.01 -0.02 0.02 -0.04 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.05 -0.00 0.02 0.02 -0.01 -0.02 -0.03 -0.02 0.02 0.00 0.02 0.15 0.09 0.01 0.18 0.07 -0.01 0.10 0.09 0.02 0.12 -0.06 0.28 0.10 -0.08 0.38 0.09 -0.12 0.15 -0.02 0.09 -0.11 -0.01 0.14 -0.10 -0.02 0.10 -0.12 -0.13 -0.04 -0.26 -0.04 -0.06 -0.32 -0.11 -0.01 -0.16 0.03 -0.04 -0.03 0.01 -0.10 -0.01 0.04 -0.01 0.04 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.03 -0.11 -0.00 -0.02 -0.01 -0.00 0.03 -0.07 0.00 -0.05 0.12 0.09 0.02 0.03 0.02 -0.03 0.07 0.05 -0.06 -0.01 0.23 -0.00 0.02 0.06 0.04 -0.02 -0.01 -0.03 0.09 -0.01 -0.03 0.10 -0.02 -0.01 -0.05 0.13 -0.02 0.09 0.00 0.05 0.02 0.05 0.02 -0.08 0.05 -0.11 0.04 0.04 -0.14 0.08 0.01 -0.07 -0.09 -0.08 -0.03 -0.04 -0.08 0.05 -0.04 -0.10 0.01 -0.04 -0.07 -0.01 -0.09 -0.10 -0.00 -0.03 0.03 -0.02 0.00 0.05 -0.04 0.05 0.07 -0.02 0.01 0.06 0.10 -0.02 -0.12 0.17 0.03 -0.11 0.01 -0.05 -0.03 -0.01 0.14 -0.11 0.04 0.17 -0.09 -0.01 0.10 -0.09 -0.02 -0.10 0.07 -0.05 -0.12 0.21 -0.11 -0.12 0.01 -0.06 -0.07 0.15 -0.07 -0.08 0.16 -0.01 -0.07 0.12 0.10 -0.04 -0.08 0.11 -0.06 -0.07 0.09 -0.05 -0.00 0.07 0.17 -0.07 0.05 0.18 -0.06 0.15 0.11 -0.16 -0.03 -0.11 0.09 -0.03 -0.12 0.12 0.19 -0.17 -0.05 -0.06 -0.11 0.06 -0.03 -0.12 -0.10 -0.06 -0.13 -0.10 0.05 0.02 0.02 0.00 -0.16 -0.04 -0.09 0.03 0.13 0.08 -0.06 -0.03 0.08 -0.05 0.01 -0.06 0.11 0.04 -0.05 0.15 -0.02 0.12 -0.02 -0.03 -0.08 0.13 0.08 0.01 -0.15 -0.01 0.01 -0.14 -0.02 -0.14 0.02 0.06 -0.14 0.01 0.05 0.12 0.09 0.12 0.08 0.04 0.06 0.00 -0.11 -0.10 0.02 0.03 -0.02 0.00 -0.01 -0.03 -0.00 0.06 -0.01 -0.10 -0.06 0.03 -0.08 0.00 0.05 -0.10 -0.12 -0.00 0.01 -0.10 -0.09 -0.05 -0.18 -0.09 -0.02 0.02 -0.02 -0.05 -0.09 0.07 -0.11 -0.11 0.08 -0.02 -0.08 0.07 -0.06 0.12 -0.09 -0.07 0.20 -0.15 0.03 0.13 -0.03 -0.11 0.12 -0.09 0.00 0.15 -0.11 -0.07 0.14 -0.08 0.11 0.07 0.04 0.00 0.10 0.11 0.11 0.07 -0.12 0.17 0.00 -0.07 0.12 -0.08 -0.03 0.26 0.01 -0.02 -0.04 -0.12 0.04 -0.04 -0.14 0.04 0.12 -0.00 -0.01 -0.09 -0.12 0.06 0.01 0.01 -0.03 0.10 0.07 0.06 0.13 0.02 0.03 0.00 0.06 0.04 -0.06 -0.04 0.12 -0.10 -0.05 -0.14 -0.02 -0.04 -0.06 0.05 -0.15 0.02 0.07 -0.16 0.03 -0.19 -0.06 -0.23 0.05 -0.15 0.03 0.07 0.01 0.03 0.04 -0.07 0.01 -0.10 -0.03 0.03 -0.12 -0.03 0.01 -0.18 -0.03 -0.01 -0.21 -0.02 0.10 -0.06 0.09 -0.05 -0.04 -0.00 0.05 -0.05 -0.04 0.06 -0.06 0.02 0.04 0.09 0.05 -0.07 0.11 -0.04 -0.11 0.10 0.09 -0.08 -0.02 0.20 -0.03 0.01 0.31 -0.05 0.01 0.01 0.01 0.07 -0.07 0.17 0.12 -0.07 0.16 0.05 -0.07 0.19 0.00 0.08 -0.04 -0.01 0.14 -0.06 0.06 0.10 0.03 -0.03 -0.00 0.03 -0.06 -0.01 0.03 0.01 0.01 0.02 0.06 -0.02 -0.01 0.05 -0.03 0.00 0.06 -0.02 0.00 0.07 0.06 -0.06 0.06 0.08 -0.05 0.10 0.04 -0.09 -0.07 -0.07 -0.03 -0.07 -0.09 -0.03 0.12 0.10 0.04 -0.10 -0.07 -0.03 0.11 0.11 0.04 -0.23 0.02 -0.03 0.12 0.02 0.02 0.05 -0.08 -0.03 -0.09 -0.05 0.09 -0.04 0.09 0.16 -0.03 0.08 0.09 0.04 -0.07 -0.06 0.05 -0.09 -0.00 -0.03 0.04 0.23 0.07 -0.08 -0.06 0.02 -0.05 0.02 0.04 0.00 0.03 -0.10 -0.03 0.04 -0.13 -0.01 0.01 0.19 -0.04 0.05 0.17 -0.07 -0.03 -0.05 0.02 0.07 -0.12 -0.04 0.11 -0.11 -0.00 0.15 -0.14 -0.05 0.00 0.07 0.04 -0.02 0.07 -0.02 -0.04 0.06 0.12 0.02 -0.08 0.05 0.10 -0.12 0.09 0.07 -0.05 -0.01 0.07 -0.11 0.00 -0.18 -0.09 -0.01 -0.20 -0.13 0.03 -0.21 -0.01 0.03 0.05 -0.02 -0.01 0.13 -0.07 0.01 -0.03 0.04 0.01 -0.06 0.07 0.03 -0.06 0.08 0.02 -0.05 -0.02 -0.08 -0.00 0.00 -0.03 -0.06 -0.02 -0.06 -0.03 0.08 0.09 -0.05 0.04 0.05 -0.02 0.13 0.10 -0.01 -0.06 -0.05 -0.18 -0.06 -0.05 -0.21 -0.06 0.03 0.08 -0.08 -0.05 -0.14 0.22 0.09 0.18 0.20 -0.01 0.07 0.01 0.01 0.00 -0.03 -0.00 0.01 -0.05 -0.01 0.07 0.18 0.00 -0.07 0.06 0.05 -0.02 0.01 0.01 -0.05 0.03 -0.01 0.01 0.26 0.10 -0.11 0.10 -0.01 -0.02 0.02 -0.03 0.02 0.01 -0.08 0.02 -0.06 -0.00 0.02 -0.08 0.01 -0.01 -0.08 0.03 0.04 -0.08 0.04 0.09 0.03 -0.02 0.01 -0.12 -0.06 -0.02 -0.07 0.05 0.01 -0.06 -0.16 -0.15 -0.17 -0.02 0.07 -0.12 0.02 0.10 -0.18 -0.07 -0.02 0.06 0.00 -0.00 0.09 0.03 0.00 -0.12 -0.10 0.05 0.02 -0.01 0.06 0.11 -0.01 0.03 0.08 0.02 0.04 -0.01 -0.01 -0.03 -0.01 0.00 -0.07 0.01 -0.01 -0.02 0.32 -0.13 -0.08 0.16 -0.10 -0.04 0.32 -0.14 -0.13 -0.17 0.07 0.07 -0.11 0.07 0.02 -0.21 -0.02 0.22 0.02 0.17 -0.00 -0.01 0.14 -0.00 0.02 0.21 0.07 -0.02 -0.02 -0.03 -0.02 -0.03 -0.03 -0.00 -0.03 0.01 -0.04 -0.02 -0.00 0.03 -0.01 0.02 -0.09 0.03 0.01 0.02 0.00 -0.01 0.02 -0.06 -0.06 -0.02 -0.01 0.02 -0.06 -0.06 -0.22 -0.03 -0.05 -0.18 -0.04 0.04 0.07 -0.06 0.05 0.03 -0.07 -0.06 -0.25 -0.14 0.05 -0.01 -0.00 -0.03 0.00 0.01 0.02 0.01 -0.01 -0.00 0.00 -0.02 0.02 -0.01 0.19 -0.05 -0.05 0.23 0.00 0.00 0.01 -0.06 0.06 -0.04 0.02 0.05 -0.04 0.02 0.07 -0.03 0.01 0.05 0.06 0.02 -0.06 0.10 0.02 -0.06 0.06 0.00 -0.12 -0.00 -0.09 0.05 0.01 -0.09 0.05 -0.03 0.04 -0.01 -0.05 0.27 0.18 -0.14 0.29 0.23 -0.00 0.22 0.21 -0.06 -0.10 0.03 -0.02 -0.12 -0.15 -0.03 -0.04 0.15 0.01 -0.04 0.02 0.09 -0.06 0.00 0.02 -0.04 0.05 -0.01 -0.01 0.02 -0.09 -0.08 0.13 -0.01 -0.02 -0.03 0.00 0.03 -0.00 -0.00 0.03 0.00 0.04 0.00 -0.04 -0.00 -0.00 -0.08 0.00 0.01 -0.12 -0.12 -0.01 0.04 0.00 -0.00 -0.06 0.10 0.02 0.11 0.21 -0.06 -0.03 -0.00 -0.00 0.01 -0.04 -0.01 -0.03 0.01 0.08 -0.04 -0.02 0.07 0.02 -0.02 0.09 0.03 -0.09 -0.02 0.19 -0.12 -0.01 0.12 -0.01 0.07 0.02 0.26 0.01 0.61 -0.04 -0.01 -0.03 -0.03 -0.00 -0.01 0.02 0.05 0.01 0.03 0.04 0.02 0.05 0.06 0.01 0.04 0.05 -0.01 -0.07 -0.05 -0.07 -0.02 0.01 -0.09 0.01 -0.05 -0.05 -0.01 0.00 -0.05 0.12 0.01 -0.18 0.05 -0.10 -0.24 0.14 0.07 -0.07 -0.06 -0.03 -0.07 -0.03 0.03 -0.08 0.01 0.02 -0.14 0.01 -0.03 -0.03 -0.07 -0.07 -0.04 -0.01 -0.01 -0.05 0.01 0.01 0.01 -0.00 0.06 0.02 0.04 0.01 0.02 0.08 -0.06 -0.03 0.06 -0.05 -0.02 0.08 -0.06 -0.04 -0.06 -0.06 0.01 -0.02 -0.04 -0.03 -0.06 -0.05 0.03 0.01 0.05 0.04 0.01 0.02 0.04 -0.00 0.09 0.11 -0.03 -0.05 0.12 -0.04 -0.05 0.15 0.16 0.03 -0.05 -0.03 -0.05 0.11 -0.12 0.01 -0.13 0.03 0.02 -0.05 -0.02 -0.00 -0.05 -0.04 0.02 0.05 -0.03 -0.06 0.08 -0.03 0.02 0.02 -0.00 0.02 0.02 -0.09 0.10 0.03 -0.09 0.08 0.06 -0.10 0.00 -0.02 0.25 0.09 0.35 0.02 -0.03 0.02 -0.01 -0.11 0.00 -0.03 -0.03 -0.00 -0.05 0.01 -0.01 -0.11 0.06 -0.03 -0.08 0.08 -0.07 0.11 -0.12 0.07 -0.06 0.03 0.09 -0.04 0.06 0.14 -0.04 0.01 0.05 0.06 0.02 -0.04 0.03 -0.03 -0.07 0.06 0.07 0.01 0.15 -0.13 0.02 0.21 -0.13 0.05 -0.06 0.06 0.02 0.04 -0.07 -0.01 -0.03 -0.09 0.00 0.02 -0.07 -0.01 0.00 0.03 -0.01 -0.03 0.12 0.04 0.06 0.01 -0.02 -0.02 -0.02 0.04 -0.06 0.00 0.05 0.00 -0.02 0.00 0.01 -0.02 -0.00 0.04 -0.01 -0.03 0.01 -0.03 0.04 -0.01 0.01 -0.02 -0.01 0.01 -0.03 0.02 -0.01 -0.04 0.07 0.04 -0.12 0.09 0.05 -0.23 -0.41 -0.04 0.10 0.07 0.04 -0.08 0.22 0.05 0.29 -0.08 -0.03 -0.03 0.11 0.03 0.01 -0.14 -0.02 -0.11 0.15 0.23 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.02 0.01 -0.07 0.02 -0.02 -0.00 -0.04 -0.00 -0.03 0.00 -0.02 -0.17 -0.12 -0.02 -0.08 -0.12 -0.01 -0.06 0.08 0.17 0.00 0.12 0.11 0.03 0.01 0.19 -0.17 0.03 0.20 -0.16 -0.10 -0.12 0.10 0.05 0.02 0.01 -0.03 -0.04 -0.07 0.06 0.03 0.13 -0.02 -0.01 0.07 -0.02 0.02 0.08 -0.03 -0.03 0.05 -0.04 -0.04 0.08 0.00 -0.00 0.09 -0.00 0.02 0.01 0.07 -0.05 0.01 -0.09 -0.08 0.04 0.06 -0.05 0.01 0.00 -0.02 -0.01 -0.02 0.11 -0.04 0.12 -0.03 0.02 -0.01 -0.11 0.12 -0.01 -0.09 0.13 -0.02 -0.11 0.09 0.01 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.02 0.05 0.03 -0.03 0.11 0.05 -0.06 0.09 0.04 -0.03 0.10 -0.18 -0.16 -0.08 -0.18 -0.14 -0.14 -0.01 -0.05 0.06 -0.18 -0.18 -0.07 0.22 -0.01 0.14 0.03 0.18 -0.15 0.02 -0.00 0.00 0.02 0.02 -0.01 0.05 0.06 -0.00 0.01 -0.02 -0.02 0.00 -0.02 -0.01 -0.04 -0.00 -0.09 -0.09 -0.11 0.05 -0.04 -0.03 -0.07 0.73 -0.07 0.54 -0.01 0.03 -0.01 0.00 0.06 -0.01 0.03 0.04 -0.00 0.04 0.01 0.00 0.01 -0.05 0.03 -0.00 -0.06 0.03 0.02 -0.02 -0.01 0.01 -0.02 0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.01 -0.01 0.02 0.04 -0.09 -0.08 0.00 -0.01 0.02 0.10 0.01 0.01 0.00 0.07 0.16 -0.02 0.02 -0.02 0.04 -0.04 0.03 0.01 0.08 0.08 0.01 -0.00 0.01 0.03 0.01 -0.01 -0.00 0.02 -0.08 0.02 -0.06 -0.00 -0.02 -0.01 0.04 -0.02 0.00 0.02 -0.03 -0.02 0.04 0.01 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 0.02 -0.02 -0.01 -0.03 0.01 0.00 -0.02 0.01 -0.02 -0.04 0.00 -0.03 -0.03 -0.01 -0.03 -0.03 -0.00 0.02 0.03 0.00 -0.03 -0.03 -0.01 0.00 0.03 -0.00 -0.01 -0.07 -0.01 -0.06 -0.02 0.01 -0.01 -0.11 -0.01 -0.13 -0.18 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.04 -0.09 -0.06 -0.11 -0.04 -0.08 -0.03 -0.06 0.47 -0.09 0.28 0.03 -0.11 0.05 0.01 -0.15 0.03 -0.06 -0.12 0.00 -0.11 -0.04 -0.03 0.09 0.16 -0.13 0.09 0.15 -0.15 -0.06 0.08 -0.02 0.03 0.00 -0.00 0.04 0.02 -0.01 0.06 -0.01 0.05 -0.01 0.01 0.06 -0.06 -0.08 0.02 -0.01 0.02 0.09 -0.12 0.03 0.02 -0.19 -0.01 0.00 -0.01 -0.00 0.02 0.03 -0.01 0.01 -0.13 -0.02 0.06 0.05 -0.03 0.02 -0.03 0.00 0.00 -0.06 0.13 -0.01 0.08 -0.01 0.03 -0.02 -0.07 0.09 -0.00 -0.03 0.11 -0.00 -0.07 0.03 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.02 0.04 -0.00 0.06 -0.05 -0.02 0.04 -0.04 0.06 0.03 -0.08 0.11 0.10 0.05 0.10 0.09 0.12 0.13 0.06 -0.06 0.11 0.11 0.04 -0.20 0.01 -0.17 0.10 0.15 -0.09 -0.01 -0.01 0.08 -0.01 0.02 0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 0.01 -0.01 -0.02 0.02 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.02 0.08 -0.01 0.01 -0.02 0.00 0.03 -0.05 0.01 0.00 -0.02 0.00 0.03 0.01 -0.00 -0.01 0.02 0.00 -0.01 0.01 0.01 -0.01 0.04 -0.03 0.03 -0.01 -0.07 0.02 -0.02 0.01 0.02 0.01 -0.01 0.00 -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.11 -0.06 -0.03 0.17 0.65 0.13 -0.16 -0.03 0.02 -0.09 -0.44 -0.03 -0.49 -0.00 -0.01 0.03 -0.06 -0.01 -0.02 -0.12 0.07 -0.25 -0.10 -0.11 0.13 0.00 0.02 -0.01 0.01 0.02 -0.02 0.00 -0.00 -0.02 -0.01 -0.00 -0.04 -0.01 0.01 -0.01 0.04 0.00 0.03 -0.21 0.15 -0.19 -0.11 0.32 -0.07 -0.13 -0.09 0.02 -0.08 -0.10 0.14 -0.03 -0.03 -0.02 -0.02 -0.02 0.01 0.02 0.04 -0.05 -0.04 -0.00 0.04 0.01 0.04 0.09 -0.03 -0.01 -0.02 -0.01 -0.00 0.02 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 0.02 -0.02 -0.10 -0.08 -0.03 -0.03 0.01 0.03 0.01 0.00 0.01 0.02 -0.02 -0.02 0.00 0.03 -0.01 0.03 -0.02 0.01 0.11 -0.18 -0.21 0.00 -0.00 0.03 0.00 -0.01 0.03 -0.02 -0.10 0.00 0.10 0.01 0.11 0.01 -0.02 -0.00 -0.05 -0.04 0.05 -0.00 -0.05 -0.03 0.28 -0.02 0.15 0.30 -0.08 0.16 0.29 -0.01 0.18 0.14 0.04 0.01 0.14 0.01 0.00 -0.09 -0.02 -0.01 0.10 0.05 0.03 -0.05 -0.00 0.00 -0.02 -0.00 0.03 0.00 0.00 -0.00 -0.09 0.10 0.09 0.00 -0.01 0.02 -0.00 -0.05 0.01 -0.00 -0.04 0.05 0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.04 -0.04 -0.05 -0.04 -0.00 -0.02 -0.02 0.02 -0.00 -0.13 -0.15 -0.16 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 0.03 0.01 -0.02 0.03 0.02 -0.03 -0.01 0.01 0.02 -0.03 -0.04 -0.01 -0.01 -0.02 -0.00 -0.04 -0.04 -0.05 0.01 0.00 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.03 0.02 0.01 0.00 -0.04 -0.01 -0.01 0.00 0.01 0.14 0.12 0.05 0.01 -0.08 0.06 0.02 -0.04 -0.06 -0.19 0.21 0.69 -0.12 -0.06 -0.16 0.03 0.04 0.02 -0.01 0.04 0.02 0.02 0.04 0.02 -0.01 0.06 0.01 0.27 0.08 -0.23 0.03 0.13 0.24 0.03 -0.02 0.01 0.01 -0.03 0.02 0.04 -0.02 0.01 -0.01 0.02 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.00 0.01 0.03 -0.02 -0.04 -0.02 -0.00 0.00 0.07 -0.10 -0.12 -0.02 0.01 -0.01 -0.09 -0.20 0.10 -0.05 -0.24 0.09 -0.00 -0.00 0.01 0.03 0.04 -0.03 -0.16 -0.23 0.07 -0.06 0.04 0.04 -0.00 -0.01 -0.00 0.10 0.16 0.11 0.01 0.03 0.01 -0.00 0.06 0.02 -0.00 0.01 0.01 -0.05 -0.04 0.04 0.00 -0.02 -0.03 0.01 0.03 0.04 0.01 0.01 0.06 0.02 0.02 0.04 0.07 0.03 -0.03 0.04 -0.02 -0.05 0.07 0.00 0.01 -0.00 0.00 -0.01 -0.09 -0.12 -0.01 0.01 0.05 -0.01 -0.02 -0.01 -0.05 0.24 0.19 0.03 -0.03 -0.17 0.07 -0.01 0.01 0.01 0.12 -0.36 -0.23 -0.15 -0.05 -0.16 0.03 -0.10 -0.04 0.06 -0.10 -0.04 0.01 -0.10 -0.01 -0.00 0.24 -0.03 -0.13 0.27 0.04 -0.04 0.15 -0.10 -0.01 0.05 0.01 -0.00 0.04 0.00 0.03 0.02 -0.03 0.04 -0.04 -0.02 0.04 -0.05 0.00 0.04 0.00 -0.02 0.03 -0.04 -0.01 -0.06 -0.01 -0.05 -0.03 0.09 0.04 -0.11 -0.01 -0.02 -0.02 0.03 0.07 0.02 0.11 0.05 0.02 0.04 -0.02 0.02 0.05 -0.01 0.02 -0.01 -0.01 0.02 -0.02 0.00 0.03 0.05 -0.02 -0.06 -0.02 -0.10 0.02 -0.01 0.02 -0.04 -0.10 -0.06 0.06 0.16 0.01 0.04 0.22 0.02 0.02 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.04 -0.18 -0.10 0.03 0.15 -0.03 0.03 0.25 -0.09 0.01 0.06 -0.05 0.04 -0.00 0.00 0.02 0.00 -0.05 0.03 -0.04 -0.08 0.06 -0.09 -0.16 0.16 -0.16 -0.08 0.05 0.05 0.00 0.00 0.02 0.02 -0.02 -0.01 -0.00 0.03 -0.00 0.01 -0.01 -0.02 -0.09 0.15 0.26 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.04 0.00 0.02 -0.01 -0.05 0.02 0.08 -0.04 -0.06 0.01 -0.01 0.06 -0.06 -0.02 0.00 -0.05 -0.02 -0.00 0.06 -0.10 -0.14 0.28 -0.25 -0.02 0.26 -0.25 0.02 -0.03 -0.01 -0.05 0.22 -0.23 -0.00 -0.17 -0.02 -0.10 0.00 0.01 -0.03 -0.01 -0.00 0.00 -0.10 0.13 0.13 0.02 -0.00 0.04 -0.02 -0.04 0.02 -0.02 -0.06 -0.01 -0.00 0.01 0.00 -0.09 -0.12 0.11 0.06 -0.05 0.11 0.07 -0.09 -0.18 -0.00 0.01 -0.01 -0.07 -0.17 -0.04 -0.01 -0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.03 0.08 0.07 -0.07 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.02 0.01 -0.01 -0.02 -0.01 0.01 0.00 -0.01 0.02 0.08 0.02 0.01 -0.02 -0.04 -0.02 -0.02 -0.00 0.29 0.50 -0.03 0.01 -0.02 -0.01 0.02 0.01 -0.02 -0.44 -0.13 0.03 -0.01 0.04 -0.04 -0.00 -0.02 0.00 -0.03 0.22 -0.17 0.24 -0.01 0.11 0.02 0.01 -0.00 0.01 0.03 0.00 0.01 0.01 -0.02 0.01 0.05 -0.01 -0.07 -0.00 0.08 -0.01 0.03 -0.04 0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.02 0.01 0.04 0.01 0.00 0.00 0.01 0.00 0.02 0.02 0.00 -0.01 0.01 0.01 -0.00 -0.02 0.01 -0.02 0.01 -0.21 -0.11 -0.00 0.00 -0.00 0.12 -0.16 -0.16 0.01 0.02 -0.01 0.02 -0.02 0.02 0.03 -0.02 0.01 -0.00 -0.01 0.04 0.02 0.00 0.04 -0.03 -0.04 -0.02 -0.06 -0.00 0.00 0.00 -0.04 -0.00 0.12 0.20 0.10 0.01 0.01 0.00 -0.00 0.01 -0.04 -0.01 0.04 -0.07 -0.04 0.00 -0.07 -0.02 -0.01 0.00 -0.13 -0.14 -0.04 -0.09 -0.10 -0.01 -0.18 -0.14 -0.09 -0.02 0.02 -0.04 -0.01 0.03 -0.03 -0.01 0.08 -0.03 -0.01 -0.01 -0.00 0.03 0.05 -0.00 -0.01 -0.15 0.00 0.01 -0.01 -0.01 0.02 0.05 0.04 0.05 -0.06 0.02 -0.03 0.03 0.03 0.15 -0.33 -0.41 -0.09 0.03 0.00 0.12 0.21 0.15 0.05 0.14 0.13 0.10 0.21 0.21 0.04 0.02 -0.03 -0.02 -0.03 0.05 0.02 -0.00 0.04 -0.02 -0.07 -0.01 -0.02 -0.01 0.00 0.11 -0.21 -0.25 0.00 -0.01 0.01 -0.00 0.04 0.01 -0.02 -0.03 0.00 0.05 -0.01 -0.01 0.02 -0.02 0.01 -0.02 0.09 -0.05 -0.00 -0.00 0.00 0.06 -0.08 -0.08 -0.02 -0.04 0.02 0.01 0.03 -0.01 0.01 0.05 0.03 0.00 0.02 0.01 -0.08 -0.12 0.15 -0.03 0.04 -0.08 0.03 -0.09 -0.25 -0.00 -0.01 -0.00 0.07 0.12 0.06 -0.01 -0.01 -0.00 -0.02 0.02 -0.01 0.01 0.04 0.00 -0.03 -0.00 0.06 -0.04 -0.06 0.02 0.02 0.01 0.01 0.01 0.00 0.00 0.02 0.02 0.03 -0.00 -0.01 -0.01 0.01 0.10 0.03 -0.01 -0.00 -0.02 -0.03 -0.05 0.00 0.34 0.54 -0.03 0.01 0.01 -0.02 -0.03 -0.02 0.01 0.42 0.14 -0.02 -0.01 -0.07 0.05 0.01 0.03 0.00 0.06 -0.26 0.06 -0.21 -0.00 -0.13 -0.03 -0.02 -0.01 0.03 -0.02 -0.01 -0.03 -0.02 0.00 -0.00 -0.04 0.01 0.02 0.04 -0.05 0.00 -0.03 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.05 -0.02 -0.04 0.01 0.02 -0.00 0.01 0.02 0.01 0.03 0.01 -0.01 0.02 0.01 -0.00 -0.03 0.01 -0.03 -0.06 -0.02 -0.17 -0.01 0.00 -0.00 0.05 -0.02 0.03 0.13 0.14 -0.00 0.01 0.00 0.00 0.02 0.01 0.02 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.10 -0.01 -0.09 -0.01 -0.01 -0.03 -0.00 -0.00 0.01 0.02 0.05 0.02 -0.02 0.02 0.00 0.09 -0.17 0.03 0.00 -0.00 -0.01 0.01 -0.02 -0.07 0.01 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.04 0.02 -0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.07 0.06 0.05 -0.06 0.04 -0.00 0.01 0.00 0.03 -0.10 -0.04 -0.05 -0.01 -0.04 -0.01 0.00 0.04 -0.05 0.13 0.08 0.08 0.01 -0.18 0.01 0.00 -0.00 0.03 0.02 -0.03 -0.01 -0.04 0.07 0.03 -0.03 -0.06 0.00 -0.06 -0.04 -0.48 0.39 0.62 0.02 -0.01 -0.00 0.03 -0.04 -0.00 -0.01 -0.01 0.00 -0.03 -0.00 0.02 0.00 -0.00 0.00 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.03 0.03 -0.00 -0.04 -0.02 -0.03 -0.01 -0.05 -0.09 -0.01 -0.00 0.00 0.00 -0.01 0.02 0.45 0.00 0.48 0.05 -0.01 0.05 0.00 -0.00 0.00 -0.02 -0.04 -0.01 -0.01 0.00 -0.00 0.02 -0.05 0.01 0.01 0.01 -0.03 -0.00 0.04 0.18 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.02 -0.01 0.00 0.01 0.02 0.01 0.07 0.03 0.02 0.00 -0.12 -0.14 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.01 0.03 0.39 -0.20 -0.28 -0.23 0.23 -0.12 0.00 -0.00 -0.00 -0.02 0.08 -0.01 0.05 0.01 0.05 0.00 0.01 0.02 0.04 0.00 0.01 0.02 0.01 0.01 0.00 0.01 0.00 -0.04 -0.01 0.06 -0.00 0.00 -0.03 0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.12 0.07 0.11 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.07 -0.04 -0.00 -0.00 0.00 -0.21 0.23 0.25 0.01 0.01 0.01 0.02 0.01 0.01 0.04 -0.01 -0.01 0.01 -0.01 -0.01 0.13 0.12 -0.08 -0.27 -0.07 -0.19 -0.13 0.11 0.12 -0.00 0.01 -0.01 -0.13 -0.35 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.01 0.03 0.04 0.07 -0.07 0.03 0.06 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.02 0.01 -0.04 -0.09 -0.03 0.01 0.08 0.11 -0.01 -0.00 -0.00 0.11 -0.01 0.06 -0.03 0.01 -0.01 -0.06 -0.01 -0.00 0.43 0.12 -0.08 -0.02 -0.04 0.02 0.02 -0.01 0.02 0.03 0.15 -0.23 0.24 -0.06 0.00 0.01 0.01 0.01 0.07 0.01 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.15 0.01 0.11 -0.03 -0.06 -0.14 -0.00 -0.00 0.00 0.04 -0.00 -0.04 -0.03 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.05 -0.10 0.01 0.00 -0.00 -0.10 0.08 0.05 -0.02 -0.02 -0.00 0.05 0.00 0.01 0.10 -0.01 0.01 -0.02 -0.00 0.06 -0.09 -0.17 0.27 -0.07 -0.05 -0.05 0.13 -0.15 -0.16 -0.00 0.01 -0.00 -0.05 -0.14 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.02 0.04 0.05 0.02 0.20 -0.09 -0.19 0.12 -0.11 0.08 0.06 -0.10 -0.03 0.03 -0.06 0.04 -0.13 0.15 -0.11 -0.13 0.26 -0.07 -0.12 0.19 -0.11 0.03 0.01 0.02 -0.38 -0.06 -0.15 0.20 -0.21 0.12 -0.03 -0.00 -0.01 0.18 0.08 -0.01 0.01 -0.05 0.02 0.00 -0.01 0.01 -0.00 0.11 -0.10 0.13 -0.04 0.01 -0.03 -0.03 -0.01 -0.06 -0.00 0.00 -0.04 -0.03 -0.03 0.01 0.01 -0.01 -0.09 0.04 0.05 -0.03 -0.07 -0.05 0.00 0.00 0.01 0.02 -0.01 -0.01 0.03 -0.03 -0.03 -0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.02 0.03 -0.01 0.02 0.07 0.05 0.14 0.00 -0.00 0.00 0.12 -0.09 -0.07 -0.04 -0.05 0.02 0.02 -0.00 -0.00 0.05 -0.04 -0.07 0.02 -0.03 -0.01 0.36 0.30 -0.15 -0.03 -0.08 0.06 -0.30 0.27 0.39 -0.00 0.00 0.00 0.04 0.15 -0.04 0.00 -0.00 -0.00 -0.04 0.06 -0.04 -0.00 -0.00 0.01 -0.04 -0.04 0.02 -0.11 0.01 0.09 0.05 -0.04 0.03 0.03 -0.02 -0.01 0.02 -0.03 0.00 -0.05 0.08 -0.03 -0.12 -0.16 -0.11 -0.04 0.08 0.04 -0.03 -0.03 0.01 0.30 0.21 0.07 0.07 -0.06 0.07 0.01 0.01 0.01 -0.10 -0.12 -0.06 0.02 0.10 -0.06 -0.00 -0.01 -0.01 -0.02 0.00 0.07 -0.05 0.04 0.06 -0.02 -0.02 -0.00 -0.02 0.02 0.01 -0.01 -0.02 -0.05 -0.00 0.01 0.00 0.04 -0.02 -0.01 -0.01 -0.00 0.08 0.00 -0.00 -0.00 -0.05 -0.06 0.04 0.07 0.03 0.07 0.00 0.00 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.00 0.02 -0.00 -0.04 -0.01 0.00 -0.01 -0.06 0.01 -0.09 0.00 -0.00 0.00 -0.01 0.15 0.34 -0.13 -0.13 0.04 -0.02 0.00 -0.02 -0.06 0.07 0.11 0.00 -0.01 0.01 -0.12 -0.02 -0.13 0.29 0.17 0.09 0.04 -0.01 0.03 -0.00 0.00 -0.01 -0.08 -0.15 -0.08 0.01 0.00 0.00 -0.10 0.18 -0.08 0.01 0.00 0.00 0.01 -0.01 -0.09 -0.12 0.14 0.15 0.01 -0.01 0.00 -0.00 -0.04 -0.00 0.01 -0.01 0.04 -0.02 0.03 -0.00 0.05 0.01 0.00 -0.02 -0.09 -0.13 -0.00 0.02 -0.01 0.16 -0.20 0.14 0.02 -0.01 0.01 0.01 -0.01 -0.00 -0.07 0.14 0.15 -0.02 -0.15 0.09 0.01 0.02 0.01 0.09 -0.24 -0.08 -0.11 -0.03 -0.13 0.00 -0.01 0.01 0.00 0.08 0.03 -0.04 -0.01 -0.09 0.01 -0.01 0.00 -0.01 0.07 -0.04 0.00 -0.02 -0.05 -0.01 -0.00 -0.01 -0.09 -0.22 0.04 0.24 0.05 0.18 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 0.01 0.00 -0.00 0.05 -0.01 -0.07 -0.00 -0.00 -0.01 -0.00 -0.09 -0.09 0.00 -0.00 -0.00 0.22 -0.06 0.13 -0.15 -0.15 0.04 0.01 0.00 0.01 0.07 -0.08 -0.13 -0.00 0.01 0.00 -0.06 -0.08 0.09 -0.24 -0.19 -0.01 0.06 -0.07 -0.12 0.00 0.01 0.00 -0.03 0.14 -0.22 0.02 0.00 0.01 -0.14 0.21 -0.16 -0.00 -0.00 -0.01 -0.06 -0.06 0.02 0.04 -0.05 -0.05 -0.01 0.02 -0.01 -0.02 0.00 -0.01 0.00 0.01 0.02 0.02 -0.03 0.00 -0.01 0.04 0.02 0.02 0.08 0.09 0.01 0.00 -0.00 -0.09 0.00 -0.04 -0.03 0.02 -0.03 -0.01 0.00 0.01 0.11 -0.14 -0.15 0.02 0.16 -0.09 -0.00 -0.01 0.00 -0.02 0.09 -0.04 0.04 0.06 0.15 0.01 0.00 0.00 -0.03 0.09 0.03 0.01 0.00 -0.12 -0.00 0.02 -0.00 0.01 -0.09 0.05 -0.02 -0.03 0.12 -0.01 -0.00 -0.02 -0.19 -0.28 0.13 0.34 0.08 0.27 -0.01 -0.00 0.01 -0.02 0.05 0.01 -0.00 -0.00 0.00 0.05 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.08 0.02 -0.00 0.00 0.00 0.02 -0.08 -0.16 0.02 0.02 -0.01 0.02 0.00 0.01 0.05 -0.04 -0.07 0.00 0.01 0.03 -0.35 -0.14 -0.16 -0.18 -0.12 -0.04 0.13 -0.12 -0.14 0.00 -0.00 0.01 0.04 0.10 0.03 -0.00 0.00 0.00 0.03 -0.03 0.06 0.00 0.00 0.01 -0.03 -0.02 0.05 -0.25 0.26 0.30 0.02 -0.01 0.01 0.04 -0.02 0.03 0.01 -0.01 -0.01 -0.02 0.01 -0.02 -0.01 0.06 0.00 -0.02 0.09 0.02 -0.01 0.02 -0.03 0.36 -0.34 0.26 0.02 -0.02 -0.00 -0.01 0.00 0.00 0.03 -0.09 -0.09 0.02 0.10 -0.06 -0.00 -0.01 -0.01 -0.04 0.10 0.05 0.03 0.03 0.08 -0.01 -0.00 -0.00 0.02 -0.03 -0.01 -0.00 -0.00 0.03 -0.00 0.01 -0.00 -0.00 -0.03 0.03 -0.01 0.00 0.03 0.01 -0.00 0.00 0.04 0.09 -0.02 -0.11 -0.01 -0.05 0.01 -0.01 -0.01 0.02 -0.03 -0.04 0.02 0.00 -0.00 -0.01 -0.01 -0.07 -0.02 -0.01 -0.02 -0.06 -0.02 -0.12 -0.00 0.00 -0.00 -0.16 0.16 0.19 0.07 0.06 -0.02 0.01 0.02 -0.01 0.17 -0.10 -0.17 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.15 -0.24 0.17 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.03 -0.22 0.12 -0.00 -0.00 0.00 0.03 -0.08 0.01 0.01 0.00 -0.01 0.08 0.09 0.02 0.02 0.02 -0.01 0.01 0.01 0.00 0.02 0.04 0.01 0.02 -0.00 -0.05 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.10 0.05 -0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.02 -0.08 -0.17 -0.09 -0.07 0.14 -0.07 -0.01 0.03 0.00 0.12 -0.38 -0.15 -0.20 0.02 -0.09 -0.01 -0.00 -0.02 -0.10 0.05 0.01 0.02 0.00 -0.08 -0.00 0.01 0.01 0.25 -0.03 -0.17 -0.02 -0.04 0.40 -0.01 0.01 0.02 0.06 0.03 -0.05 0.01 -0.06 -0.12 0.00 -0.00 0.00 0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.05 0.01 0.01 0.00 -0.00 0.00 0.06 -0.09 0.01 -0.00 0.01 -0.00 0.13 -0.02 0.12 0.42 0.39 -0.08 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.03 -0.00 -0.03 0.03 0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.06 -0.17 -0.03 -0.02 0.02 0.04 -0.41 -0.39 -0.00 0.00 0.00 -0.03 -0.03 -0.04 0.02 0.08 0.02 0.00 -0.00 0.00 0.05 0.06 0.04 0.01 -0.01 -0.07 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.03 -0.01 0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.03 0.05 0.03 0.02 -0.04 0.02 0.00 -0.00 0.00 -0.00 0.02 0.01 0.01 0.01 0.03 -0.01 -0.00 0.00 -0.02 -0.01 0.00 0.10 0.01 -0.01 0.00 0.00 -0.00 -0.07 0.01 0.05 -0.03 -0.06 -0.05 -0.02 0.02 0.01 -0.14 -0.08 0.12 0.27 -0.06 -0.05 0.02 0.01 -0.00 0.05 -0.20 -0.00 -0.01 -0.01 0.00 -0.22 0.04 0.04 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.03 -0.06 -0.11 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.18 0.06 0.07 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.14 0.19 -0.10 -0.01 0.01 0.02 0.00 0.00 0.00 0.03 0.07 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.04 0.02 -0.06 -0.01 0.04 0.02 0.00 0.01 0.01 0.04 0.03 0.03 0.01 0.00 -0.08 0.00 0.01 0.00 0.02 -0.00 0.00 0.00 -0.11 -0.06 -0.00 -0.00 -0.00 0.05 0.01 0.01 0.02 0.02 0.01 -0.02 -0.00 -0.01 0.21 0.15 0.03 0.02 -0.10 0.05 -0.03 -0.01 0.02 -0.00 0.17 -0.32 0.25 -0.03 0.10 -0.01 -0.01 -0.02 -0.16 0.02 0.01 -0.00 -0.01 -0.06 0.00 0.01 -0.03 0.36 -0.30 -0.10 0.09 0.17 0.49 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.03 -0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.04 -0.01 0.00 0.01 -0.00 -0.03 0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.05 0.05 -0.00 -0.00 0.00 -0.04 0.09 0.18 0.06 0.05 -0.01 0.01 -0.03 0.03 -0.31 0.06 0.08 -0.00 0.00 0.00 0.03 -0.01 0.07 -0.00 0.21 -0.31 0.01 -0.02 -0.03 -0.00 -0.01 0.00 -0.08 -0.13 -0.10 -0.01 -0.00 -0.00 0.03 -0.07 0.00 0.01 0.01 -0.01 -0.11 -0.11 0.10 -0.03 -0.07 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.03 -0.00 0.02 -0.01 -0.05 0.02 -0.02 0.01 -0.08 0.03 0.01 -0.00 0.00 -0.03 -0.03 -0.00 0.02 -0.00 -0.02 0.00 0.01 0.01 -0.06 -0.21 -0.16 0.12 0.21 -0.13 0.01 0.01 -0.01 0.06 -0.19 -0.01 -0.21 0.17 0.20 -0.00 -0.01 0.00 0.14 -0.08 -0.04 -0.11 -0.03 0.11 -0.01 -0.00 -0.00 0.12 -0.19 0.03 0.16 0.34 -0.11 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.05 0.02 0.01 0.00 0.00 -0.00 0.01 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 -0.00 -0.00 -0.09 0.13 -0.10 0.00 0.00 -0.00 -0.06 -0.00 -0.13 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.08 0.06 0.15 0.01 -0.00 0.00 -0.06 0.00 -0.10 -0.05 0.13 -0.26 -0.01 0.01 0.02 0.01 0.01 -0.01 0.13 0.05 0.30 0.01 -0.00 0.01 -0.07 0.04 -0.17 -0.02 -0.01 -0.01 0.20 0.28 0.20 0.12 0.16 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.03 -0.01 0.00 -0.02 0.01 -0.01 -0.01 0.00 -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 0.01 0.02 -0.03 -0.22 -0.17 -0.21 0.15 -0.06 -0.01 -0.00 0.00 -0.02 0.01 0.01 0.09 -0.14 -0.21 0.00 0.00 0.01 0.02 -0.03 -0.01 -0.04 -0.00 0.03 0.00 -0.01 0.01 0.06 0.21 -0.19 0.04 0.07 -0.13 -0.01 -0.00 -0.00 -0.03 -0.16 -0.02 0.15 0.05 0.15 0.00 0.00 0.01 0.01 -0.14 0.05 -0.02 0.00 0.00 -0.11 0.02 -0.10 0.01 0.01 0.01 0.10 -0.15 0.10 0.00 0.00 -0.01 -0.03 -0.02 -0.06 -0.10 -0.11 0.03 0.00 0.00 0.00 -0.05 -0.02 -0.07 0.01 -0.00 0.01 -0.12 0.01 -0.18 0.01 -0.02 0.04 -0.03 0.02 0.02 0.01 -0.00 0.02 -0.11 -0.05 -0.28 0.02 0.00 -0.00 -0.03 0.12 0.05 -0.02 0.01 -0.00 0.15 0.16 -0.16 0.22 0.30 -0.06 -0.00 0.00 0.00 0.05 0.04 0.05 -0.01 0.01 -0.12 -0.00 0.00 -0.00 -0.04 -0.07 -0.03 0.01 -0.01 0.05 -0.01 -0.02 0.01 -0.01 0.11 -0.04 0.03 0.01 0.02 -0.01 -0.01 0.00 0.11 0.03 -0.00 0.09 0.00 -0.01 0.01 0.01 -0.01 0.03 -0.12 0.07 -0.18 0.14 0.17 0.01 0.00 0.00 -0.17 -0.11 -0.01 0.03 0.00 0.10 -0.00 0.01 -0.01 -0.11 -0.15 0.18 0.02 0.05 -0.10 0.01 -0.01 -0.01 -0.03 0.09 0.05 -0.11 0.02 0.00 -0.00 0.00 0.01 0.02 -0.26 0.07 -0.03 0.01 0.01 -0.20 0.05 -0.21 0.02 0.01 0.02 0.17 -0.17 0.21 0.00 0.00 -0.00 0.01 0.04 0.11 0.05 0.04 -0.01 -0.00 -0.00 0.00 -0.07 -0.01 -0.06 0.00 -0.00 0.00 -0.03 0.01 -0.06 0.02 0.00 0.02 -0.02 0.01 0.01 -0.01 -0.00 -0.02 0.16 0.07 0.43 -0.01 -0.00 -0.01 0.08 -0.06 0.18 -0.00 0.00 0.00 -0.01 -0.06 -0.25 0.08 0.08 -0.03 -0.01 -0.00 -0.01 -0.05 -0.01 -0.06 0.08 -0.07 0.18 0.00 0.01 0.00 0.05 -0.02 -0.00 -0.01 0.02 -0.04 -0.00 -0.00 0.01 -0.04 0.01 -0.02 -0.08 -0.03 -0.01 -0.01 -0.00 0.01 0.11 0.01 -0.03 0.16 0.05 -0.04 0.01 -0.01 -0.03 -0.05 0.07 0.15 -0.07 0.10 0.15 0.02 -0.01 0.01 0.01 0.33 0.11 -0.21 -0.05 -0.33 -0.00 0.01 -0.01 -0.08 -0.13 0.15 0.02 0.04 -0.06 -0.01 0.01 0.02 0.13 -0.16 -0.17 0.15 -0.06 -0.07 0.00 0.00 0.00 0.00 -0.07 0.06 -0.02 -0.00 0.00 -0.06 0.01 -0.03 0.01 0.00 0.01 0.04 -0.10 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.02 0.01 -0.00 0.02 0.03 -0.02 0.03 -0.09 -0.24 0.00 0.00 -0.00 -0.02 -0.00 -0.02 -0.04 -0.21 0.25 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.03 0.00 0.09 0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.00 -0.00 -0.00 -0.05 -0.03 0.11 0.06 0.05 -0.02 -0.00 -0.01 -0.00 0.01 0.04 -0.00 0.07 -0.06 0.06 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.14 0.03 0.00 -0.01 0.01 -0.03 0.01 -0.01 -0.07 -0.03 -0.00 0.01 -0.01 -0.01 -0.07 0.17 0.16 -0.09 -0.17 0.10 -0.01 0.01 0.01 -0.00 0.04 -0.03 0.08 -0.09 -0.13 0.01 0.00 0.00 0.24 -0.15 -0.07 -0.31 -0.05 0.22 -0.03 -0.01 0.02 0.14 -0.22 0.02 0.18 0.41 -0.12 -0.00 0.00 -0.01 0.01 -0.12 -0.05 0.05 0.07 0.13 0.00 0.01 0.00 0.02 -0.13 0.02 -0.01 0.00 0.00 -0.12 0.03 -0.06 0.01 0.00 0.01 -0.07 0.08 -0.06 -0.00 -0.00 0.00 -0.18 0.06 -0.15 0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.09 -0.02 -0.10 0.00 0.01 0.00 0.08 -0.03 0.16 0.11 0.00 0.11 0.00 -0.03 -0.08 0.01 0.01 -0.01 0.09 -0.07 0.31 0.00 0.00 0.01 -0.11 0.02 -0.31 -0.00 0.00 0.01 0.08 0.08 -0.09 -0.11 -0.10 0.04 -0.00 0.00 0.01 0.05 -0.05 0.09 -0.08 0.06 -0.11 0.01 -0.00 -0.01 -0.37 -0.02 -0.09 0.06 -0.04 0.39 0.00 0.02 -0.01 0.01 -0.09 0.03 0.12 0.03 -0.07 -0.01 -0.01 -0.00 0.04 0.06 0.05 0.10 -0.03 0.00 0.01 0.00 -0.02 -0.01 -0.01 0.10 -0.08 0.06 0.06 -0.00 -0.00 0.00 -0.09 -0.09 -0.01 0.16 0.02 0.06 0.00 0.00 -0.01 -0.05 -0.15 0.14 0.02 0.05 -0.03 -0.01 -0.01 0.00 -0.01 -0.06 -0.00 0.05 0.04 0.11 -0.01 -0.00 -0.00 -0.01 0.14 -0.08 0.03 0.00 -0.00 0.11 -0.03 0.08 -0.02 -0.01 -0.02 0.05 -0.14 -0.01 -0.00 0.00 -0.00 -0.14 0.08 -0.02 -0.11 -0.11 0.02 -0.01 -0.00 -0.00 0.04 0.02 0.06 -0.00 -0.00 0.00 0.03 -0.01 0.05 0.04 0.04 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.05 -0.13 0.26 0.02 0.00 0.01 -0.11 0.14 -0.17 0.03 -0.01 -0.00 -0.28 -0.34 0.06 0.10 0.15 -0.01 -0.01 0.00 -0.00 0.08 0.03 0.08 -0.02 0.01 -0.09 0.00 -0.00 0.00 -0.03 0.03 0.01 0.01 -0.04 0.02 -0.00 -0.02 -0.00 0.02 0.04 -0.01 0.04 0.01 -0.01 0.00 0.01 -0.01 -0.06 0.01 0.02 0.12 0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.05 -0.01 0.02 0.01 0.04 -0.01 0.00 0.00 0.02 -0.01 -0.01 0.14 0.03 -0.00 0.01 0.00 -0.01 -0.02 0.08 -0.04 -0.07 -0.17 0.12 -0.00 -0.01 0.01 0.05 0.02 -0.04 -0.06 0.01 0.03 0.00 0.02 0.01 0.05 -0.33 0.02 -0.02 0.01 0.00 -0.26 0.07 -0.24 0.01 0.01 0.01 -0.16 0.39 -0.03 0.00 0.00 -0.00 0.22 -0.05 0.21 0.01 0.01 0.00 -0.01 -0.01 -0.02 -0.02 0.02 0.04 0.01 0.01 0.01 -0.00 -0.04 0.07 0.15 0.07 0.05 -0.00 -0.03 -0.10 -0.01 -0.01 0.00 -0.03 0.12 -0.16 -0.00 -0.00 -0.01 0.13 -0.05 0.33 -0.00 0.00 -0.00 -0.04 -0.04 -0.01 0.06 0.12 -0.00 -0.01 -0.00 0.00 0.01 -0.10 0.05 -0.04 0.03 0.07 0.01 0.00 -0.01 -0.45 -0.08 -0.12 0.07 0.01 0.49 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 0.07 0.01 -0.10 -0.00 0.00 0.01 -0.00 -0.03 -0.02 -0.04 0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.03 -0.07 0.11 -0.11 -0.13 0.00 -0.00 -0.00 0.05 0.08 0.02 -0.08 -0.02 -0.06 0.00 -0.01 0.01 0.06 0.14 -0.14 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.01 0.02 -0.01 -0.00 -0.04 -0.09 0.00 0.01 0.00 0.01 -0.10 0.03 -0.01 -0.00 0.00 -0.07 0.03 -0.12 0.01 -0.00 0.01 -0.02 0.03 -0.02 0.00 -0.00 -0.01 -0.03 0.01 -0.01 0.04 0.05 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.01 -0.00 0.01 -0.22 -0.01 -0.28 0.01 -0.01 0.03 -0.03 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.01 0.00 0.01 -0.09 -0.03 -0.27 -0.00 -0.00 -0.00 -0.05 -0.05 0.06 0.15 0.13 -0.05 0.01 0.01 0.00 -0.29 -0.29 -0.25 -0.14 0.13 0.38 -0.00 0.00 0.00 -0.05 -0.10 -0.04 0.01 -0.01 0.06 0.00 -0.01 0.02 -0.03 0.10 -0.04 0.03 0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.03 0.03 -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.02 0.15 0.06 -0.02 0.16 0.03 -0.04 -0.00 0.00 0.00 0.06 -0.07 0.00 0.01 0.02 0.07 0.01 -0.01 0.01 -0.03 0.13 0.07 -0.10 -0.01 -0.04 0.01 -0.01 -0.01 -0.08 0.19 0.26 -0.06 -0.02 0.01 0.19 -0.03 -0.10 0.04 -0.01 0.04 -0.02 0.09 0.04 -0.00 -0.00 0.00 0.21 0.04 0.41 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.01 0.00 0.01 -0.23 -0.01 -0.28 -0.00 -0.02 0.03 -0.03 0.02 0.01 -0.02 -0.01 -0.03 0.13 0.12 0.27 -0.00 0.00 -0.01 0.04 -0.01 0.09 -0.00 0.02 0.00 -0.07 -0.10 -0.21 0.05 -0.06 -0.05 0.01 -0.01 0.01 0.05 0.08 0.03 -0.05 0.04 -0.24 -0.01 0.00 -0.00 0.04 -0.13 -0.03 -0.01 -0.01 -0.05 0.01 -0.00 0.01 -0.05 0.11 -0.05 0.05 0.03 0.09 -0.01 0.00 0.01 0.06 -0.02 -0.04 0.16 0.07 -0.04 -0.01 -0.01 -0.00 -0.03 0.08 -0.00 0.06 -0.02 -0.01 -0.01 0.01 -0.01 -0.04 -0.29 -0.08 0.15 0.03 0.32 0.00 -0.00 0.01 0.03 0.09 -0.09 0.01 0.02 -0.02 -0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.03 0.03 0.04 -0.01 -0.01 -0.00 -0.02 0.12 -0.05 0.01 0.00 -0.00 0.09 -0.03 0.11 -0.01 -0.00 -0.01 0.03 -0.00 0.05 0.00 0.00 -0.01 0.19 -0.00 0.27 -0.02 -0.02 0.01 0.00 0.01 0.01 0.00 -0.02 -0.07 -0.02 -0.01 -0.02 0.35 0.04 0.38 -0.09 -0.06 -0.00 0.03 -0.00 0.05 -0.01 -0.02 -0.02 0.08 0.15 0.10 0.00 0.00 0.00 -0.02 0.02 -0.04 -0.01 0.01 0.01 0.08 0.09 -0.12 0.01 0.16 0.04 0.00 0.00 0.00 -0.08 -0.20 -0.03 -0.12 0.11 0.13 -0.00 -0.01 0.00 0.09 0.25 0.10 -0.01 -0.13 -0.16 -0.01 0.01 -0.01 0.01 -0.17 0.05 0.08 0.02 -0.06 -0.00 -0.00 0.00 0.02 0.00 -0.00 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.03 0.02 0.02 -0.01 -0.01 -0.01 -0.00 -0.01 0.08 -0.09 -0.05 0.15 0.03 0.14 -0.00 0.00 0.00 0.03 -0.04 0.00 0.02 0.04 0.01 0.01 -0.00 0.00 -0.05 0.12 0.08 -0.11 -0.00 -0.04 0.01 0.01 0.00 0.00 -0.10 0.12 -0.03 -0.00 0.01 -0.05 0.03 -0.22 0.02 0.00 0.02 0.02 -0.23 -0.13 0.00 -0.00 -0.00 -0.12 -0.02 -0.23 0.02 0.02 -0.01 -0.02 0.00 -0.01 0.08 -0.02 0.02 -0.00 -0.00 -0.00 0.06 0.00 0.07 0.05 -0.05 0.12 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.06 -0.08 -0.11 0.00 -0.00 0.01 -0.06 0.00 -0.17 -0.00 0.01 0.02 -0.04 -0.12 -0.39 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.04 -0.02 -0.04 0.03 -0.02 0.10 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.00 0.06 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 -0.04 -0.02 -0.01 -0.02 -0.00 0.01 0.11 -0.02 -0.05 0.41 0.13 -0.10 -0.01 -0.01 0.01 0.02 0.01 -0.16 0.05 0.02 0.10 0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.21 -0.04 0.05 -0.01 -0.02 0.03 0.16 0.37 -0.37 0.05 0.10 -0.16 0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 0.01 0.03 0.00 -0.00 -0.00 -0.01 0.02 0.04 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.04 -0.10 0.02 0.00 0.00 -0.01 -0.16 0.02 -0.19 0.10 0.09 -0.01 -0.00 0.01 0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.01 0.04 -0.04 -0.02 0.00 0.01 0.00 0.03 0.01 0.02 0.01 -0.03 -0.12 0.01 -0.02 -0.00 -0.01 0.20 -0.14 0.43 0.00 -0.00 -0.00 -0.02 -0.01 0.06 0.01 0.10 0.02 0.00 0.01 0.01 -0.10 -0.18 -0.06 -0.18 0.16 0.02 -0.00 -0.01 0.00 0.00 0.11 0.04 0.01 -0.16 -0.06 -0.01 -0.01 -0.01 0.08 0.02 0.02 0.14 0.06 -0.01 -0.00 -0.00 -0.01 -0.01 0.03 0.03 0.10 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.05 0.06 0.10 0.01 0.01 -0.00 -0.05 -0.22 -0.06 0.03 0.01 0.17 0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.05 -0.11 0.08 -0.04 0.01 -0.03 -0.00 -0.31 -0.11 0.32 0.05 0.17 0.00 -0.00 -0.00 -0.03 0.07 0.13 -0.02 -0.01 0.00 0.07 -0.01 -0.09 0.02 -0.00 0.02 0.02 0.13 0.14 -0.00 -0.00 0.00 0.02 0.01 0.05 0.02 0.02 -0.00 0.01 0.01 0.01 -0.12 -0.04 -0.15 -0.00 -0.01 -0.00 0.05 0.01 0.04 -0.08 -0.06 -0.00 0.02 -0.00 0.03 -0.00 0.00 0.00 -0.03 -0.05 -0.03 -0.00 0.00 0.00 -0.02 -0.02 -0.06 0.00 -0.01 -0.01 -0.07 -0.13 -0.19 -0.05 0.08 0.06 -0.00 0.00 -0.00 0.06 -0.07 0.10 -0.03 0.02 -0.04 0.00 -0.00 -0.00 0.01 0.17 0.06 0.00 -0.13 -0.05 -0.01 -0.01 -0.02 0.18 0.07 0.04 0.07 0.02 -0.07 0.00 0.01 0.02 -0.01 -0.08 -0.04 -0.03 0.07 -0.02 -0.00 0.01 0.01 0.00 -0.02 0.02 0.10 -0.20 -0.35 0.01 -0.01 0.01 -0.22 0.09 0.06 0.02 -0.01 -0.13 -0.01 -0.01 0.01 -0.02 -0.08 0.08 0.09 0.19 -0.16 0.00 -0.00 0.01 0.04 0.03 -0.02 -0.05 -0.03 -0.06 -0.01 -0.01 0.00 -0.01 0.11 -0.07 0.02 0.00 -0.00 0.10 -0.02 -0.02 -0.01 -0.00 -0.01 0.13 0.30 0.50 -0.00 -0.00 0.00 0.10 0.03 0.24 0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.14 0.04 0.17 -0.00 -0.00 -0.00 0.07 0.01 0.07 0.06 0.04 -0.00 0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.04 0.06 0.08 -0.00 -0.00 0.01 -0.06 -0.00 -0.18 -0.01 -0.01 -0.03 0.07 0.12 0.15 -0.04 0.08 0.05 -0.00 0.01 -0.00 0.02 -0.01 0.03 0.06 -0.05 0.07 0.00 -0.01 -0.00 -0.02 0.12 0.03 -0.00 0.16 0.08 -0.01 -0.01 -0.02 0.15 0.03 0.04 -0.05 -0.05 -0.06 0.01 -0.00 -0.02 0.01 0.08 0.05 -0.13 -0.10 0.05 0.00 -0.02 -0.01 -0.01 0.04 -0.01 -0.10 0.22 0.38 0.02 0.01 -0.01 -0.00 -0.07 -0.03 -0.33 -0.05 0.12 0.00 0.00 -0.00 0.01 0.10 -0.08 -0.05 -0.10 0.07 0.01 0.00 0.01 0.09 -0.01 -0.08 -0.11 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.09 -0.04 0.01 0.00 -0.00 0.08 -0.02 0.00 -0.01 0.00 -0.01 0.13 0.18 0.41 0.00 0.00 -0.01 -0.01 0.02 0.02 -0.02 -0.02 0.01 -0.00 -0.02 -0.01 -0.05 0.02 0.06 -0.01 0.01 -0.00 0.13 -0.01 0.21 0.15 0.08 0.02 0.03 -0.03 -0.06 0.00 0.00 -0.00 0.01 -0.03 0.05 0.00 0.00 -0.01 0.04 0.00 0.12 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.02 0.10 0.04 0.01 0.00 0.01 -0.17 0.24 -0.29 0.04 -0.03 -0.10 0.00 -0.03 -0.01 0.09 -0.11 -0.02 -0.03 0.51 0.10 -0.01 -0.00 -0.01 0.11 -0.06 0.06 -0.14 -0.05 0.26 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.01 -0.00 0.00 -0.14 -0.03 0.01 0.29 0.05 -0.03 -0.01 -0.00 0.00 0.02 -0.03 0.01 0.06 0.13 -0.09 -0.01 -0.00 -0.00 -0.06 0.01 0.05 0.06 -0.01 0.00 0.01 -0.01 -0.01 -0.06 0.00 0.31 -0.05 -0.01 0.01 0.00 -0.01 0.05 0.04 0.01 0.04 0.02 0.08 0.10 -0.00 -0.00 0.01 -0.03 0.02 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.04 -0.01 0.00 0.00 -0.01 -0.00 -0.03 0.02 -0.09 -0.01 -0.06 0.07 -0.01 0.02 0.06 0.00 0.00 -0.01 0.02 -0.01 0.06 -0.00 0.00 -0.00 0.07 -0.02 0.17 -0.01 -0.01 -0.01 0.05 0.08 0.13 0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.13 -0.07 0.18 -0.03 0.02 -0.00 -0.01 -0.01 0.00 0.04 0.15 0.06 -0.02 0.10 -0.00 0.00 -0.00 0.00 -0.02 0.05 -0.02 0.05 -0.01 -0.10 0.00 -0.01 -0.01 0.01 0.09 0.06 -0.02 -0.07 0.03 -0.00 -0.01 -0.00 -0.00 0.04 -0.07 -0.05 0.15 0.28 -0.03 -0.02 0.02 0.15 0.16 0.03 0.47 0.07 -0.21 -0.02 -0.01 0.02 0.14 0.12 -0.20 0.12 0.26 -0.23 -0.01 -0.01 -0.00 -0.12 0.06 0.12 0.09 -0.03 -0.03 -0.01 0.00 0.01 0.05 0.01 -0.26 0.04 0.01 -0.01 0.03 0.00 -0.10 -0.03 -0.00 -0.03 0.01 0.03 0.06 -0.00 -0.00 0.00 0.04 -0.00 0.05 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.13 -0.02 -0.09 0.00 -0.01 -0.00 -0.01 0.01 -0.06 0.12 0.06 0.06 0.00 0.01 0.05 -0.00 -0.00 -0.00 0.01 0.03 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.02 0.12 0.22 0.37 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.02 0.02 0.02 0.06 -0.05 0.09 -0.00 -0.01 -0.00 0.06 0.16 0.06 -0.01 0.16 0.04 -0.00 -0.00 -0.00 0.02 0.02 0.00 -0.06 -0.06 -0.04 -0.03 -0.01 -0.00 -0.05 0.04 0.05 0.68 0.09 -0.12 -0.00 0.01 0.00 0.00 -0.02 0.03 0.05 -0.12 -0.22 -0.01 0.00 -0.00 0.14 0.01 -0.02 -0.01 0.01 0.01 0.01 0.00 -0.01 -0.05 -0.05 0.08 -0.05 -0.12 0.12 0.00 -0.00 -0.00 -0.04 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.11 0.02 0.00 -0.00 -0.01 0.00 0.02 -0.01 0.00 -0.01 0.03 0.04 0.09 0.00 -0.00 -0.00 0.02 -0.02 -0.02 0.07 0.07 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.06 0.01 0.04 0.01 0.00 0.01 -0.01 0.02 0.04 -0.00 0.00 0.01 -0.01 0.02 -0.05 -0.01 0.00 0.01 -0.01 -0.06 -0.08 0.01 0.00 0.00 -0.04 -0.03 0.12 0.27 0.38 -0.05 -0.00 0.01 0.01 0.18 0.14 0.19 0.10 -0.08 -0.35 0.00 -0.01 -0.00 0.02 0.10 0.04 -0.00 0.03 -0.00 -0.00 -0.02 0.01 -0.09 -0.01 -0.03 0.00 -0.02 -0.03 -0.00 -0.00 -0.00 -0.02 0.01 0.01 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.00 0.05 0.03 -0.07 -0.02 -0.08 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.02 -0.00 0.00 0.01 0.10 -0.06 -0.10 -0.02 -0.01 -0.03 -0.03 -0.03 0.00 -0.12 0.35 0.17 -0.02 0.00 0.00 0.35 -0.07 -0.27 0.02 -0.00 0.01 -0.10 -0.05 -0.24 -0.00 -0.00 0.01 -0.06 0.01 -0.09 0.06 0.06 -0.01 -0.00 -0.02 -0.00 0.01 0.04 0.12 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.11 0.11 -0.06 -0.02 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.05 0.02 -0.01 -0.00 0.00 0.04 -0.06 0.06 0.00 0.01 0.01 -0.06 -0.12 -0.29 0.03 0.01 -0.01 0.01 0.01 -0.01 0.03 -0.13 0.07 0.07 -0.04 0.21 -0.01 -0.01 0.01 0.09 0.01 0.03 -0.04 0.41 0.04 0.00 -0.00 0.00 -0.06 0.02 -0.03 -0.14 -0.10 -0.13 0.01 0.01 0.01 0.03 -0.09 -0.08 -0.15 0.04 0.00 0.00 0.01 0.00 0.00 -0.03 0.04 0.01 -0.06 -0.12 -0.00 0.01 -0.02 0.05 -0.11 -0.05 -0.01 0.01 0.16 0.00 0.01 -0.02 -0.05 -0.12 0.12 -0.04 -0.09 0.13 -0.00 0.00 -0.01 -0.09 0.02 0.09 0.06 0.02 0.06 -0.01 -0.00 0.04 0.07 0.08 -0.41 0.06 0.01 -0.01 0.10 0.01 -0.35 -0.05 -0.01 -0.05 0.01 -0.06 -0.01 0.00 0.00 -0.00 0.05 -0.03 0.02 -0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.02 0.07 0.01 -0.02 -0.00 -0.09 0.05 -0.24 0.08 0.04 0.01 -0.04 0.06 0.14 -0.01 -0.00 0.01 -0.02 0.04 -0.07 0.00 -0.00 0.00 -0.04 0.03 -0.09 0.01 0.00 0.01 -0.01 -0.02 0.02 -0.07 -0.20 -0.02 0.00 0.02 0.01 -0.05 -0.16 -0.01 -0.22 0.20 -0.10 -0.01 -0.04 -0.01 0.05 0.46 0.17 -0.02 0.35 0.12 0.01 0.01 0.01 -0.06 0.02 -0.02 0.21 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.04 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.02 -0.01 0.00 -0.29 -0.02 0.04 -0.07 -0.02 -0.03 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.03 0.07 -0.06 -0.00 0.01 0.01 0.19 -0.12 -0.21 -0.06 -0.01 -0.03 0.01 0.01 -0.01 0.01 -0.10 0.08 -0.02 -0.00 0.00 -0.09 0.03 0.03 0.01 0.00 0.01 -0.07 -0.05 -0.19 0.00 0.00 -0.01 -0.07 0.03 -0.06 -0.03 -0.03 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.00 -0.02 -0.00 -0.02 0.04 -0.13 0.01 0.03 -0.03 -0.03 0.05 0.11 0.01 0.00 -0.01 0.02 -0.05 0.07 0.00 0.00 -0.01 0.03 0.02 0.10 -0.00 0.01 0.01 -0.05 -0.08 -0.17 0.09 0.12 -0.02 -0.00 -0.01 0.01 0.09 0.08 0.09 0.16 -0.14 0.05 0.01 -0.00 -0.01 -0.10 0.45 0.11 0.02 -0.02 0.10 -0.01 -0.00 0.00 0.02 0.01 0.01 -0.11 -0.11 -0.25 0.01 0.00 0.01 0.02 -0.03 -0.03 -0.12 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.19 -0.01 -0.04 0.01 0.01 0.07 0.00 0.00 -0.01 -0.01 -0.04 0.04 -0.03 -0.07 0.08 0.00 -0.01 -0.01 -0.21 0.12 0.23 0.06 0.02 0.05 -0.00 -0.00 -0.04 -0.07 -0.00 0.29 -0.04 -0.01 0.01 -0.05 -0.03 0.43 0.03 0.01 0.04 0.01 -0.02 0.01 -0.00 -0.00 0.01 0.04 -0.04 -0.01 -0.05 -0.05 -0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.00 0.08 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.04 0.03 -0.12 0.01 0.00 -0.00 -0.04 0.05 -0.07 -0.01 0.01 0.00 -0.03 -0.03 -0.06 0.24 0.41 -0.03 0.00 -0.00 -0.00 -0.07 0.00 -0.10 -0.08 0.06 0.09 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.04 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.03 0.01 0.08 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 -0.01 -0.00 0.00 -0.01 -0.02 -0.02 -0.00 0.00 0.21 -0.02 -0.04 0.19 0.03 0.02 0.00 0.00 -0.00 0.02 -0.03 0.01 -0.01 -0.02 0.03 -0.01 0.01 0.01 0.26 -0.19 -0.30 -0.04 -0.00 -0.02 -0.00 -0.01 -0.00 0.07 0.02 -0.39 0.05 0.01 -0.01 -0.06 -0.03 0.48 -0.04 0.01 -0.03 0.00 -0.03 -0.02 -0.00 -0.00 0.01 -0.06 0.04 -0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.04 0.01 0.03 -0.00 -0.00 -0.00 0.03 0.00 0.03 0.00 -0.01 0.01 0.00 0.00 0.01 0.01 -0.00 -0.02 0.04 -0.04 0.14 -0.00 -0.00 -0.00 0.03 -0.01 0.07 0.01 -0.00 -0.00 -0.04 -0.03 0.09 0.15 0.24 -0.02 -0.01 0.01 -0.00 -0.10 -0.03 -0.11 -0.21 0.18 -0.14 -0.00 -0.02 -0.01 0.03 0.01 0.02 -0.00 0.04 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.23 0.12 0.24 0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 0.02 -0.01 0.01 -0.15 0.10 0.06 -0.37 -0.08 -0.07 0.00 -0.00 -0.00 -0.02 0.00 0.01 0.01 0.02 -0.01 0.02 -0.01 -0.01 -0.32 0.25 0.38 0.04 0.00 0.02 0.00 -0.01 0.00 0.05 0.04 -0.27 0.03 0.01 -0.01 -0.01 -0.02 0.17 -0.03 0.00 -0.03 -0.05 0.03 -0.09 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.00 0.09 0.02 0.10 -0.01 0.01 0.00 0.04 -0.02 0.10 0.04 0.03 -0.00 0.02 -0.03 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.00 0.02 0.00 0.00 0.01 -0.02 0.29 -0.34 0.43 -0.16 0.15 -0.03 -0.02 0.00 0.02 0.18 -0.37 -0.06 -0.07 0.29 -0.11 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.15 0.09 -0.12 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.05 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.02 -0.04 -0.00 -0.01 0.00 0.17 0.06 -0.00 -0.05 -0.02 -0.03 -0.00 0.00 -0.01 -0.00 -0.07 0.05 0.00 0.02 0.03 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.06 -0.03 0.27 -0.04 -0.01 0.01 -0.03 -0.01 0.24 0.03 0.00 0.03 0.03 0.00 0.06 0.00 0.00 -0.00 -0.02 -0.01 -0.04 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 0.01 -0.04 0.02 0.03 -0.02 -0.00 0.01 0.03 0.00 0.00 0.00 -0.02 0.00 -0.05 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.02 -0.00 0.00 0.03 0.01 -0.22 -0.11 -0.16 0.02 -0.00 -0.00 -0.00 -0.02 0.17 -0.08 -0.13 0.09 -0.27 0.00 -0.02 -0.01 -0.01 0.14 0.04 0.01 0.01 0.06 0.00 0.01 -0.00 0.03 0.01 0.01 0.21 0.13 0.32 0.00 0.00 0.01 0.02 -0.03 -0.03 -0.05 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 0.65 0.15 -0.04 -0.08 -0.03 -0.04 0.00 0.01 -0.00 0.01 -0.05 0.03 -0.04 -0.08 0.09 0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 0.05 -0.01 0.00 0.00 0.02 0.01 -0.19 0.00 -0.00 0.00 0.09 -0.02 0.18 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.64 0.12 0.55 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.05 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.05 0.05 -0.07 0.03 -0.03 0.01 0.01 0.00 0.00 -0.10 0.03 -0.01 0.02 -0.17 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.07 -0.06 0.18 0.04 -0.03 -0.00 0.01 0.00 0.00 -0.02 0.02 0.03 -0.06 -0.10 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.06 0.01 -0.02 -0.02 0.00 -0.02 0.01 -0.26 0.14 0.08 0.23 -0.04 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.02 0.01 -0.03 -0.01 -0.06 0.27 0.09 0.27 0.13 -0.13 0.51 -0.00 -0.01 -0.02 0.02 0.13 0.03 0.03 -0.05 0.10 0.00 -0.00 0.00 -0.03 0.01 -0.01 0.17 0.23 0.62 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.15 -0.04 -0.00 0.06 0.02 0.09 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.03 0.03 0.07 -0.00 0.00 -0.00 0.04 -0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.04 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.05 -0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.02 0.02 -0.02 0.02 0.04 0.03 -0.04 0.01 -0.09 -0.25 0.01 0.11 -0.01 -0.16 -0.03 0.02 -0.03 0.43 0.06 0.03 0.02 -0.14 0.44 0.00 -0.00 -0.00 -0.03 0.02 -0.02 -0.40 0.54 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.05 -0.00 -0.01 0.01 -0.06 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.05 -0.02 -0.03 -0.01 0.01 0.03 0.01 0.02 -0.02 -0.00 -0.03 0.02 -0.03 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.03 0.03 -0.04 -0.01 0.04 0.32 0.44 -0.34 -0.01 -0.03 0.02 0.36 -0.28 -0.30 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.09 0.07 -0.07 0.18 -0.11 -0.22 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.01 -0.02 0.02 -0.01 0.00 -0.01 0.08 -0.02 0.03 0.01 -0.04 0.09 -0.02 0.01 0.01 0.17 -0.07 0.11 0.06 -0.04 -0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.12 0.08 0.16 0.00 0.06 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.04 -0.02 0.10 0.03 -0.04 0.06 -0.01 -0.00 0.06 0.01 0.09 -0.08 0.10 -0.06 0.02 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.09 0.05 0.06 0.01 0.00 -0.00 -0.04 -0.06 0.04 -0.03 -0.07 0.06 -0.05 0.04 0.04 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.02 0.01 0.13 0.11 -0.10 -0.10 0.08 0.13 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.11 0.06 -0.07 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.03 -0.07 -0.07 0.04 -0.12 0.08 -0.04 0.03 -0.03 0.04 -0.44 0.28 0.57 0.01 0.21 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -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 0.06 0.01 -0.23 -0.06 0.09 -0.06 0.00 0.00 -0.15 -0.02 -0.20 -0.11 0.17 -0.06 -0.06 -0.01 -0.02 0.01 -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 -0.01 -0.09 -0.12 0.09 -0.01 -0.04 0.03 -0.09 0.07 0.08 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 0.02 0.05 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.04 0.01 -0.02 -0.03 0.03 -0.00 -0.00 0.01 -0.00 0.01 -0.04 -0.04 0.02 -0.07 0.04 -0.01 0.01 -0.01 0.02 -0.17 0.11 0.22 0.00 0.08 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.58 0.16 -0.22 -0.00 0.00 0.00 0.37 0.05 0.52 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.02 0.04 0.04 -0.01 -0.02 -0.00 0.03 0.33 -0.21 -0.25 -0.00 -0.00 0.00 0.04 0.05 -0.04 0.11 0.26 -0.21 0.04 -0.03 -0.03 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.03 0.08 0.02 -0.00 -0.03 0.02 0.21 0.19 -0.17 -0.14 0.11 0.19 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 -0.00 -0.16 0.09 -0.11 -0.03 0.03 -0.01 0.01 -0.03 0.00 0.01 0.22 0.19 -0.10 0.30 -0.20 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.05 0.02 0.01 -0.00 0.06 -0.01 0.01 0.01 0.09 -0.08 -0.02 -0.03 -0.04 -0.10 -0.00 -0.00 -0.00 0.02 0.05 -0.02 0.03 0.01 0.03 0.01 -0.01 -0.00 -0.01 0.10 0.01 0.06 0.02 -0.02 -0.12 0.01 0.00 0.04 0.00 0.05 -0.18 0.27 -0.10 -0.00 -0.00 -0.00 -0.06 0.04 0.04 0.19 0.17 -0.05 0.02 0.00 -0.02 -0.24 0.17 0.22 -0.00 -0.00 0.00 0.04 0.04 -0.03 -0.09 -0.20 0.15 0.03 -0.03 -0.03 -0.00 -0.01 0.00 0.01 0.10 -0.05 -0.00 -0.03 -0.00 -0.13 0.29 0.08 -0.00 -0.01 0.00 0.07 0.07 -0.06 -0.12 0.08 0.15 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 0.06 -0.01 0.01 0.01 -0.02 0.04 0.01 -0.01 -0.00 -0.13 0.07 -0.08 -0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.04 -0.03 0.02 -0.03 0.02 0.01 -0.01 0.01 -0.02 0.13 -0.08 -0.17 -0.00 -0.06 -0.00 -0.01 -0.01 -0.01 0.18 0.05 0.02 -0.00 0.17 0.01 -0.01 -0.01 -0.10 0.08 0.03 0.04 0.07 0.10 -0.02 -0.02 -0.00 0.17 0.35 -0.13 0.22 0.04 0.18 0.01 -0.01 0.00 -0.02 0.18 0.01 0.02 0.01 -0.01 -0.19 0.01 -0.01 0.02 0.00 0.02 -0.05 0.09 -0.03 0.00 0.00 0.00 -0.02 0.02 0.03 0.16 0.14 -0.04 -0.02 -0.00 0.02 0.19 -0.14 -0.18 0.01 0.00 -0.01 -0.08 -0.10 0.08 0.08 0.16 -0.12 -0.08 0.06 0.07 -0.00 -0.01 0.00 0.00 0.06 -0.04 -0.00 -0.02 -0.00 -0.11 0.22 0.05 0.00 0.01 -0.01 -0.13 -0.12 0.11 0.20 -0.14 -0.25 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.02 0.02 0.01 0.21 -0.12 0.14 -0.03 0.06 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.13 0.08 0.19 -0.00 0.06 0.00 -0.00 -0.00 -0.03 0.09 0.02 0.00 -0.00 0.07 -0.01 0.01 0.01 0.08 -0.06 -0.03 -0.02 -0.05 -0.09 -0.02 -0.03 -0.00 0.18 0.40 -0.14 0.25 0.05 0.20 -0.01 0.01 0.00 0.01 -0.06 -0.02 -0.03 -0.01 0.01 0.07 -0.02 -0.00 -0.02 -0.00 -0.03 0.10 -0.14 0.05 0.00 0.00 0.00 -0.01 0.01 0.01 -0.08 -0.07 0.02 0.01 -0.00 -0.02 -0.16 0.14 0.21 0.01 0.00 -0.01 -0.12 -0.16 0.11 -0.08 -0.14 0.09 -0.12 0.09 0.10 0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 0.01 0.00 0.06 -0.16 -0.04 -0.00 -0.02 0.01 0.15 0.13 -0.13 0.17 -0.09 -0.20 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.00 -0.00 0.02 -0.02 0.01 0.01 0.17 -0.10 0.11 0.00 -0.01 0.01 0.01 -0.04 0.00 0.00 0.26 0.23 -0.12 0.37 -0.25 -0.00 0.00 -0.00 0.00 -0.02 0.02 0.03 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.08 0.03 0.01 0.00 0.09 0.01 -0.01 -0.01 -0.12 0.09 0.04 0.04 0.09 0.12 -0.00 -0.00 -0.00 0.03 0.06 -0.03 0.05 0.01 0.03 -0.02 0.01 -0.00 0.03 -0.20 -0.02 -0.02 -0.00 0.01 0.23 -0.02 0.02 -0.01 -0.00 -0.01 -0.14 0.20 -0.07 0.00 -0.00 0.00 0.10 -0.07 -0.05 0.25 0.23 -0.07 0.00 -0.00 -0.01 -0.05 0.05 0.08 0.00 0.00 -0.00 -0.02 -0.02 0.02 -0.03 -0.05 0.02 -0.02 0.01 0.02 -0.00 0.02 -0.00 -0.03 -0.14 0.06 -0.01 -0.04 -0.00 -0.16 0.41 0.12 -0.00 0.01 -0.01 -0.08 -0.07 0.06 0.10 -0.08 -0.13 -0.00 -0.00 0.00 0.02 0.03 0.01 -0.02 0.02 0.02 -0.00 0.00 -0.00 0.04 -0.00 0.00 0.00 -0.01 0.03 -0.01 0.01 0.00 0.11 -0.06 0.07 0.01 0.01 -0.02 0.00 -0.02 -0.00 -0.01 0.16 0.14 -0.07 0.21 -0.14 -0.00 0.00 -0.01 0.01 -0.07 0.04 0.09 -0.00 0.03 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.03 0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.02 0.01 0.01 0.02 0.03 0.02 0.02 0.00 -0.14 -0.34 0.11 -0.24 -0.03 -0.16 0.02 -0.01 0.00 -0.03 0.26 -0.00 -0.00 -0.00 0.00 -0.28 0.02 -0.04 -0.01 -0.00 -0.01 0.06 -0.10 0.04 0.00 0.00 0.00 -0.03 0.01 0.00 0.11 0.10 -0.03 -0.00 0.00 0.00 0.04 -0.05 -0.08 0.01 0.00 -0.01 -0.11 -0.13 0.08 0.03 0.04 -0.01 -0.09 0.07 0.08 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.06 0.16 0.05 -0.00 -0.03 0.02 0.27 0.25 -0.21 0.18 -0.09 -0.20 0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.03 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.01 0.01 0.17 -0.10 0.11 -0.03 0.04 -0.00 -0.01 0.03 0.00 0.02 -0.24 -0.21 0.10 -0.30 0.20 0.01 -0.01 0.01 -0.01 0.13 -0.09 -0.19 0.01 -0.06 0.00 -0.00 -0.00 -0.01 0.05 0.02 0.01 0.01 0.05 -0.00 0.01 0.00 0.06 -0.05 -0.01 -0.02 -0.05 -0.05 0.01 0.01 0.00 -0.07 -0.17 0.06 -0.11 -0.01 -0.07 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 0.00 0.04 -0.01 0.00 -0.01 -0.00 -0.01 -0.23 0.34 -0.12 -0.00 0.00 -0.00 0.06 -0.04 -0.02 0.24 0.22 -0.06 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.04 0.05 -0.04 -0.01 -0.01 0.01 0.04 -0.03 -0.03 -0.00 0.01 -0.00 -0.01 -0.07 0.03 -0.01 -0.03 -0.00 -0.14 0.31 0.08 -0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.14 0.10 0.17 0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.07 0.01 -0.01 -0.00 0.02 -0.06 0.02 -0.01 -0.00 -0.14 0.08 -0.09 -0.01 -0.03 0.03 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -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 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.04 -0.09 0.03 -0.07 -0.01 -0.04 -0.03 0.03 -0.01 0.07 -0.52 -0.00 -0.01 -0.00 0.00 0.57 -0.09 0.10 -0.00 0.00 -0.00 0.02 -0.03 0.01 0.00 0.00 -0.00 0.13 -0.08 -0.02 -0.02 -0.02 0.01 0.01 -0.00 -0.01 -0.17 0.15 0.18 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.06 -0.13 0.10 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.13 0.05 0.00 0.00 0.00 0.01 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 0.06 0.00 -0.05 0.04 0.02 -0.00 0.00 -0.00 0.04 -0.01 0.01 0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.05 -0.02 0.00 -0.01 0.00 -0.00 0.04 0.04 -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 0.03 -0.04 -0.05 -0.01 -0.03 0.00 -0.00 -0.00 -0.04 0.06 0.02 -0.02 -0.00 0.07 -0.01 0.05 0.03 0.48 -0.39 -0.10 -0.22 -0.42 -0.43 -0.00 -0.00 -0.00 0.01 0.04 -0.01 0.02 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.45 0.30 0.11 0.06 0.06 -0.02 0.01 -0.00 -0.00 -0.07 0.05 0.07 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.05 0.03 -0.00 0.00 0.00 0.02 -0.05 0.00 0.12 0.49 -0.15 -0.00 -0.01 -0.00 -0.04 0.11 0.03 0.00 -0.00 0.00 -0.00 -0.02 -0.04 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.02 -0.00 0.02 0.00 -0.00 0.00 -0.03 0.00 -0.00 0.00 0.01 -0.03 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.03 0.04 0.00 -0.01 0.00 -0.00 0.05 0.04 -0.02 0.07 -0.05 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.02 -0.02 0.00 0.03 0.03 0.03 -0.40 -0.10 -0.04 -0.00 -0.38 -0.00 0.01 0.01 0.11 -0.08 -0.02 -0.05 -0.09 -0.09 0.00 0.00 0.00 -0.01 -0.02 0.03 -0.02 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 -0.34 0.21 0.03 -0.03 -0.02 0.01 -0.00 0.00 0.00 0.03 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 0.02 -0.03 0.00 0.09 0.33 -0.11 -0.00 0.00 -0.00 0.03 -0.05 0.00 0.00 0.01 -0.01 -0.09 -0.09 0.08 -0.03 0.02 0.03 0.00 -0.01 0.00 0.01 0.09 -0.01 -0.06 0.03 0.00 -0.01 0.00 -0.00 0.09 -0.02 0.01 0.01 -0.03 0.07 0.00 -0.00 -0.00 -0.02 0.01 -0.02 0.00 -0.01 -0.07 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.05 -0.01 0.01 0.00 -0.03 -0.03 -0.08 0.50 0.13 0.05 0.01 0.48 -0.00 0.00 0.00 0.04 -0.02 -0.01 -0.01 -0.02 -0.04 0.01 0.02 -0.00 -0.08 -0.26 0.06 -0.13 -0.01 -0.08 -0.00 0.00 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 0.07 -0.08 0.04 0.00 0.00 -0.00 0.03 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.07 -0.03 -0.05 0.00 0.00 -0.01 -0.04 -0.06 0.08 0.02 0.03 -0.02 -0.04 0.04 0.04 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.03 0.04 -0.02 0.00 0.00 0.03 0.36 -0.07 -0.09 0.00 0.18 -0.03 0.01 -0.02 0.50 -0.13 0.07 0.05 -0.13 0.38 0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.42 -0.24 -0.27 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.11 -0.04 -0.01 -0.01 -0.10 0.00 -0.00 -0.00 -0.02 0.02 0.01 0.01 0.03 0.02 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.01 -0.00 0.00 0.08 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.02 0.00 0.01 -0.04 0.06 0.01 -0.22 -0.41 -0.10 0.49 -0.47 -0.21 -0.01 -0.00 0.00 0.07 -0.06 0.02 0.01 0.03 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.47 -0.00 0.04 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 -0.01 -0.00 -0.00 0.01 0.05 -0.00 0.05 0.01 0.08 -0.00 0.00 0.00 0.04 -0.03 -0.01 -0.03 -0.04 -0.04 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.03 0.00 -0.00 -0.00 -0.06 0.01 0.04 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.00 0.03 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.06 0.02 -0.07 0.32 -0.08 0.09 -0.07 0.14 0.00 -0.01 0.02 -0.16 -0.01 -0.04 -0.09 0.20 -0.22 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.30 0.68 -0.41 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.00 -0.02 -0.00 0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.10 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 -0.02 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.04 0.02 -0.03 -0.06 -0.04 0.01 0.25 -0.06 -0.23 0.59 0.68 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.05 -0.07 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.02 0.12 -0.00 0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.00 0.01 0.00 0.00 0.00 -0.00 -0.09 -0.01 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.03 0.19 0.86 -0.41 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.03 -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.07 -0.02 -0.06 0.05 0.06 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.02 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 -0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.06 -0.00 0.03 -0.00 0.00 -0.00 -0.00 0.03 0.05 0.04 -0.05 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.02 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.06 0.03 -0.06 -0.03 0.02 0.04 0.67 -0.17 -0.55 -0.25 -0.28 0.02 0.00 -0.00 -0.00 -0.01 -0.02 0.06 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.05 0.11 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.08 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.16 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.06 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.02 -0.01 -0.01 -0.00 0.00 0.09 0.05 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.02 -0.04 -0.00 0.00 0.00 0.04 -0.01 -0.03 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.02 -0.08 -0.02 0.10 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.05 0.01 -0.04 0.69 -0.10 0.67 0.01 0.06 -0.03 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.08 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.05 0.03 -0.00 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 0.11 0.07 -0.03 0.00 0.00 -0.00 0.02 -0.02 0.01 -0.35 0.18 -0.40 -0.00 0.00 0.00 0.06 -0.02 -0.05 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.03 0.09 -0.01 -0.00 0.00 0.02 -0.01 0.02 -0.01 0.01 0.04 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.03 -0.05 0.20 0.01 -0.06 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 -0.07 0.01 -0.06 0.00 -0.00 0.00 -0.00 -0.05 -0.00 -0.13 -0.03 -0.03 -0.00 0.00 -0.00 0.12 0.74 0.05 -0.00 0.00 -0.00 -0.09 -0.04 0.05 -0.00 0.00 -0.00 0.02 0.03 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.06 0.03 -0.00 0.00 0.00 0.04 -0.05 -0.03 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.11 -0.11 0.03 0.04 -0.02 0.04 0.01 0.01 -0.00 -0.02 0.00 0.02 -0.08 -0.10 -0.01 -0.00 -0.01 0.02 0.06 0.09 -0.29 -0.04 -0.01 0.01 -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 -0.01 0.01 -0.01 -0.05 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.01 0.01 -0.05 0.12 -0.23 0.83 -0.01 0.05 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.09 0.04 -0.01 -0.00 -0.00 -0.00 0.06 -0.01 0.06 0.00 0.00 -0.00 0.00 0.01 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.16 -0.01 0.00 -0.00 0.00 -0.11 -0.05 0.07 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.08 0.10 0.07 -0.00 0.00 -0.00 -0.01 -0.03 0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.00 0.06 -0.06 0.02 -0.05 0.02 -0.05 0.01 -0.00 -0.00 -0.08 0.02 0.07 -0.01 -0.01 -0.00 0.02 0.02 -0.05 -0.16 -0.25 0.81 -0.07 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 0.03 -0.01 0.00 0.01 0.02 0.01 -0.02 0.03 -0.02 -0.17 -0.26 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 -0.01 0.03 -0.06 0.20 -0.00 0.01 -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 0.02 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.23 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.04 -0.02 0.00 -0.00 -0.00 -0.03 0.04 0.02 -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 -0.08 -0.05 0.02 0.01 -0.00 -0.00 -0.07 0.06 -0.01 -0.36 0.19 -0.43 0.01 -0.00 -0.01 -0.11 0.03 0.09 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.01 0.27 0.02 -0.04 0.02 -0.01 0.02 -0.02 0.01 0.06 -0.01 0.02 -0.01 -0.00 -0.02 -0.03 -0.01 0.03 -0.05 0.03 0.29 0.44 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.06 -0.03 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.04 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 -0.00 0.00 -0.00 0.02 0.03 0.00 -0.19 -0.02 -0.04 -0.01 -0.00 -0.01 -0.07 -0.43 -0.03 -0.01 -0.00 0.00 -0.07 -0.03 0.04 -0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.04 -0.02 -0.00 0.00 0.00 0.02 -0.03 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.06 0.04 -0.02 0.00 -0.00 0.00 -0.05 0.05 -0.01 0.28 -0.14 0.33 -0.00 -0.00 0.00 0.04 -0.01 -0.03 0.01 0.01 0.00 -0.02 0.00 -0.02 -0.07 -0.10 0.31 0.37 0.03 -0.05 -0.02 0.01 -0.02 0.01 -0.01 -0.04 -0.02 0.03 -0.01 -0.00 -0.02 -0.03 -0.02 0.03 -0.05 0.03 0.32 0.50 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.02 0.08 -0.05 -0.00 0.00 -0.01 0.03 -0.06 0.22 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.02 0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.14 0.02 0.03 0.00 0.00 0.00 0.04 0.27 0.02 0.01 0.00 -0.00 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.14 0.05 -0.00 0.00 0.00 0.03 -0.04 -0.02 0.02 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.02 0.02 -0.00 0.00 -0.00 0.04 -0.03 0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.05 -0.01 0.01 -0.00 0.01 -0.06 0.86 0.08 -0.12 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.01 0.00 0.02 0.02 0.02 -0.03 0.05 -0.02 -0.23 -0.37 0.00 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.07 0.04 0.00 -0.00 0.00 -0.01 0.01 -0.05 -0.01 0.04 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 -0.00 0.06 -0.05 -0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 0.02 -0.01 -0.60 -0.28 0.20 -0.00 -0.00 0.00 -0.04 0.04 -0.01 0.04 -0.02 0.05 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.04 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.06 -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 -0.00 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 -0.04 -0.00 0.01 -0.02 0.02 -0.11 0.62 -0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.10 0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.20 -0.03 -0.04 -0.00 -0.00 -0.00 0.03 0.19 0.01 -0.01 -0.00 0.00 0.08 0.03 -0.04 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 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 -0.08 -0.03 0.03 0.00 0.00 -0.00 0.03 -0.02 0.00 -0.15 0.08 -0.18 0.01 -0.00 -0.00 -0.09 0.03 0.08 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 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 0.22 -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 -0.02 0.00 -0.02 0.00 0.00 -0.00 -0.06 -0.01 -0.01 0.89 0.15 0.18 0.02 0.00 0.01 -0.02 -0.00 -0.00 0.02 0.01 -0.00 -0.03 -0.01 0.01 0.00 0.00 0.00 -0.08 -0.14 0.06 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.06 -0.09 -0.05 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.06 0.02 0.02 0.01 0.01 -0.00 -0.18 -0.08 0.06 -0.01 0.04 -0.02 0.52 -0.45 0.09 0.03 -0.02 0.03 -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 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.05 -0.00 -0.02 0.01 -0.06 -0.02 -0.01 0.09 0.38 -0.20 -0.00 0.00 0.01 -0.02 0.05 -0.16 0.02 -0.12 0.00 0.00 0.00 0.00 -0.04 -0.03 -0.05 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.00 0.00 -0.35 -0.14 0.17 0.00 0.00 0.00 -0.04 -0.07 0.03 -0.06 0.05 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.03 -0.02 0.01 0.55 0.26 -0.18 -0.00 0.01 -0.00 0.12 -0.10 0.02 0.02 -0.01 0.02 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 -0.00 0.03 0.12 -0.06 0.01 -0.04 0.01 -0.01 0.01 -0.08 -0.12 0.67 -0.01 0.01 -0.00 0.00 -0.01 -0.01 -0.02 -0.12 0.06 -0.00 0.01 -0.00 0.01 -0.11 0.03 -0.11 0.01 0.02 -0.01 0.01 0.01 0.00 -0.11 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 -0.07 -0.00 -0.00 -0.00 -0.00 -0.04 -0.01 0.02 -0.00 -0.00 -0.00 0.03 0.05 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.02 -0.02 -0.32 0.46 0.25 0.00 -0.00 -0.00 -0.02 -0.08 0.03 0.00 -0.00 0.00 -0.05 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.04 -0.01 0.01 0.11 -0.11 0.03 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 0.03 0.04 -0.13 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.04 -0.00 -0.02 0.01 -0.07 -0.02 -0.01 0.09 0.38 -0.20 -0.00 0.01 -0.00 0.01 -0.01 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 -0.06 -0.05 -0.07 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.48 0.21 -0.25 -0.00 0.00 -0.00 0.04 0.06 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 0.02 0.01 0.28 -0.39 -0.21 0.00 -0.00 -0.00 0.02 0.08 -0.03 0.00 -0.00 0.00 -0.07 0.02 0.02 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.01 -0.02 0.01 -0.31 0.27 -0.05 -0.05 0.03 -0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.06 -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 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.09 -0.16 -0.00 -0.03 0.02 -0.11 -0.04 -0.02 0.13 0.56 -0.29 -0.00 0.00 -0.00 0.01 -0.01 0.03 0.00 -0.01 0.00 0.00 0.01 0.01 -0.11 -0.09 -0.12 0.06 -0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.11 0.04 -0.05 -0.00 0.00 -0.00 0.03 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.02 0.02 0.01 0.26 -0.37 -0.20 -0.00 0.01 0.00 0.03 0.09 -0.03 -0.00 -0.00 0.00 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.05 0.00 0.01 0.29 -0.27 0.06 -0.09 0.04 -0.11 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.05 0.09 -0.00 0.01 -0.01 0.04 0.01 0.01 -0.04 -0.15 0.08 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.06 0.00 0.01 -0.01 -0.01 0.15 0.11 0.17 -0.26 0.12 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.50 0.22 -0.26 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 0.06 -0.02 -0.01 0.01 0.00 0.08 -0.12 -0.06 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.01 0.00 0.00 0.08 -0.02 -0.03 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.02 0.00 0.00 0.15 -0.14 0.03 -0.02 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.02 0.03 0.00 0.01 -0.01 0.03 0.01 0.00 -0.05 -0.21 0.11 0.00 -0.01 -0.00 0.01 -0.02 0.06 -0.02 0.12 -0.00 -0.02 0.03 0.02 -0.31 -0.24 -0.36 0.65 -0.30 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.16 0.07 -0.08 -0.00 0.00 -0.00 -0.32 -0.51 0.23 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.04 -0.00 0.55 -0.15 -0.19 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.00 -0.01 0.00 -0.06 0.05 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 0.02 -0.09 -0.00 0.03 0.00 0.01 -0.17 -0.15 -0.21 -0.26 0.13 0.00 0.00 0.00 0.00 -0.05 0.01 -0.05 -0.00 -0.02 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.09 0.04 -0.05 -0.00 -0.00 0.00 -0.25 -0.44 0.19 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 0.00 0.00 0.00 0.00 -0.00 0.02 0.03 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -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 -0.01 0.00 0.00 -0.00 0.00 0.03 0.11 -0.06 0.00 -0.00 -0.01 0.02 -0.04 0.11 -0.01 0.07 -0.00 -0.05 -0.01 -0.03 0.35 0.31 0.44 0.44 -0.22 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.08 0.03 -0.04 -0.00 -0.00 -0.00 0.21 0.40 -0.16 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.01 0.03 0.71 -0.24 -0.24 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.06 -0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.04 0.14 -0.08 0.00 -0.00 0.00 -0.00 0.01 -0.03 -0.01 0.04 -0.00 -0.02 -0.00 -0.01 0.16 0.14 0.20 0.14 -0.07 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.02 0.03 -0.05 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.01 0.22 -0.00 0.69 -0.00 -0.00 -0.00 0.51 0.16 -0.44 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.04 -0.03 0.02 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.53 0.67 0.48 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.04 -0.10 0.12 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.07 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 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 0.03 -0.18 0.40 -0.50 0.00 -0.05 -0.05 -0.04 -0.02 -0.01 0.69 0.18 0.13 -0.00 0.08 -0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -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 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.08 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.06 -0.03 0.04 -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 0.02 -0.01 -0.06 -0.37 0.27 0.87 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 -0.05 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 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 0.06 -0.08 -0.06 0.01 0.01 -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 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.05 -0.00 0.00 -0.00 -0.01 0.02 -0.04 0.19 -0.44 0.54 -0.00 0.05 0.04 -0.04 -0.02 -0.00 0.63 0.16 0.12 0.01 0.10 -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 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.05 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.05 -0.06 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 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 -0.04 -0.02 -0.03 0.13 0.88 -0.44 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.06 0.02 -0.09 0.09 0.07 -0.00 0.00 0.00 0.34 0.86 -0.33 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 -0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.61 0.71 0.32 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.04 -0.02 -0.08 -0.07 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 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.07 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.24 0.00 0.65 -0.00 -0.00 0.00 -0.56 -0.17 0.42 -0.00 -0.00 0.00 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 271.16630 0.99999 -0.00429 3.3E-4 0.00429 0.99995 -0.00858 -3.0E-4 0.00858 0.99996 asymmetric 1 0.01624 0.01069 0.00847 0.33834 0.22284 0.17653 1032032.1 40.14 43.24 50.02 60.64 71.05 86.86 94.63 94.86 102.07 107.44 107.57 111.89 118.74 123.37 135.98 146.00 148.10 161.10 214.84 216.39 225.17 240.01 241.71 251.82 271.65 276.93 281.93 294.12 300.76 308.69 330.64 367.74 373.23 380.01 400.82 410.43 417.49 427.62 443.03 450.61 472.86 475.70 488.26 507.97 522.87 533.51 554.09 591.83 629.93 650.96 668.25 687.56 692.23 711.09 734.23 759.19 774.48 809.09 883.93 909.23 927.13 952.94 966.94 975.67 987.92 1012.67 1044.15 1052.97 1067.46 1102.78 1132.27 1179.14 1210.20 1225.28 1251.90 1317.98 1324.18 1346.48 1365.12 1428.90 1452.88 1495.03 1525.15 1630.38 1992.07 2309.92 2343.88 2353.58 2356.01 2366.83 2373.88 2386.92 2401.55 2411.29 2420.92 2436.11 2454.67 2457.61 2488.26 2539.51 2597.66 2680.36 4196.43 4362.08 4469.38 4585.35 4754.68 4840.61 4861.38 4898.27 4913.34 5021.13 5032.79 5066.72 5089.11 5113.02 5133.57 5165.49 5213.03 5225.47 5268.65 5286.31 5343.41 5490.60 5544.92 5555.89 5558.41 5560.18 5563.86 5582.14 5590.64 5629.84 0.393080 0.429100 0.430044 0.325534 -1147.162298 -1147.126278 -1147.125334 -1147.229844 269.264 123.404 219.960 0.000 0.000 0.000 0.889 2.981 42.692 0.889 2.981 34.445 267.487 117.443 142.823 1 0.593 1.984 5.973 2 0.594 1.984 5.826 3 0.594 1.983 5.537 4 0.595 1.980 5.155 5 0.595 1.978 4.842 6 0.597 1.973 4.445 7 0.597 1.971 4.276 8 0.597 1.971 4.271 9 0.598 1.968 4.127 10 0.599 1.966 4.026 11 0.599 1.966 4.024 12 0.599 1.964 3.946 13 0.600 1.961 3.830 14 0.601 1.959 3.755 15 0.603 1.953 3.564 16 0.604 1.948 3.426 17 0.605 1.947 3.398 18 0.607 1.940 3.234 19 0.618 1.903 2.681 20 0.618 1.902 2.667 21 0.620 1.895 2.592 22 0.624 1.883 2.471 23 0.625 1.882 2.458 24 0.627 1.873 2.381 25 0.633 1.855 2.240 26 0.634 1.850 2.204 27 0.636 1.846 2.171 28 0.640 1.834 2.093 29 0.642 1.827 2.052 30 0.644 1.819 2.005 31 0.652 1.795 1.880 32 0.666 1.753 1.692 33 0.668 1.747 1.666 34 0.671 1.739 1.634 35 0.679 1.713 1.542 36 0.683 1.701 1.502 37 0.686 1.692 1.473 38 0.691 1.679 1.433 39 0.698 1.659 1.373 40 0.701 1.649 1.345 41 0.712 1.618 1.267 42 0.713 1.614 1.257 43 0.719 1.597 1.215 44 0.729 1.569 1.153 45 0.737 1.548 1.107 46 0.743 1.532 1.076 47 0.754 1.502 1.019 48 0.775 1.446 0.922 49 0.798 1.388 0.833 50 0.811 1.355 0.788 51 0.822 1.329 0.753 52 0.834 1.299 0.716 53 0.837 1.292 0.707 54 0.850 1.263 0.673 55 0.865 1.227 0.633 56 0.883 1.189 0.592 57 0.893 1.165 0.569 58 0.918 1.113 0.519 59 0.974 1.001 0.426 0.117226e+32 31.069025 71.539074 0.887832e+16 15.948331 36.722389 0.100000e+01 0.000000 0.000000 0.175512e+09 8.244307 18.983219 0.752293e+07 6.876387 15.833466 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.2846 -1.2226 3.0098 5.3769 -5.4625 -60.6168 -86.2486 -6.7017 2.6923 -11.5039 45.3134 -9.8409 -35.4726 -6.7017 2.6923 -11.5039 -230.2501 27.7869 46.8433 2.9903 -34.8355 13.6983 -34.5502 -30.8363 -1.0777 5.6101 -787.3115 -1587.6048 -986.2669 164.0138 373.5316 -158.2463 -232.5852 -2.3701 -69.6855 -809.3039 -655.9099 -500.6683 46.9799 -126.7406 -52.8040 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1147.5553783 7.894E-10 5.114E-6 0.3930803 0.4291001 -1147.1262782 -1147.125334 -1147.2298441 12.2911178,8.7341387,-21.0252565,17.5029141,18.956667,6.6022291 C01 [X(H31O15)] -0.9754702 -1.7604748 0.6513589 -0.6920244 -0.0177776 -0.0494177 -0.0227679 -0.6685956 -0.0818311 -0.0520886 -0.0805408 -0.5503404 0.2774666 -0.0855693 -0.0489186 -0.120167 0.5535555 0.0553267 -0.0377064 0.0543675 0.3105773 0.2664471 0.0276426 0.0221956 0.0695247 0.2518967 -0.0132054 0.0218627 -0.0092681 0.346848 -0.7576744 0.111045 -0.0317942 0.1510839 -0.9759008 -0.0611138 -0.0789509 -0.054152 -0.7637806 0.5417037 -0.4160582 0.0786211 -0.4108266 0.7882782 -0.0839767 0.0925105 -0.1015433 0.2844791 -0.7741597 0.1091442 -0.0021275 0.055138 -0.5767679 0.0510108 0.0264024 0.0842642 -0.7677548 0.701751 -0.1590412 -0.0189874 -0.1439566 0.2969045 0.0422043 -0.0355731 0.0369997 0.2706935 0.3055911 -0.0014149 -0.0001334 -0.0458596 0.2713036 0.0362035 0.0339497 0.0214488 0.2839491 0.3134477 -0.0565175 0.0470484 -0.0092476 0.2444815 0.0346398 0.026992 0.0389957 0.3090386 -0.7562326 -0.0223635 -0.1316214 -0.0202012 -0.7201319 -0.078292 -0.1350116 -0.0929059 -0.7784348 0.540177 0.0639379 -0.0058135 0.1095264 0.3332456 0.0473362 -0.0271752 0.0393241 0.2699767 -0.6531191 -0.0362703 -0.027492 -0.0763473 -0.944341 -0.0477897 -0.0086281 -0.0473496 -0.6280261 0.3803445 0.2657954 0.0331024 0.2749338 0.7045265 0.0176556 0.0199397 -0.0053112 0.2828863 -0.8316147 -0.1240504 -0.0391944 -0.0966793 -0.9083363 0.0126624 -0.0415834 -0.0149556 -0.7641008 0.7278598 0.1317253 0.0996283 0.1306217 0.2673968 0.0648194 0.0879882 0.0608591 0.2845263 0.3467118 -0.0342985 0.2644998 -0.0274362 0.2901816 -0.0436492 0.3041565 -0.0426678 0.7778976 -1.2828252 0.0374016 -0.0978694 0.0199188 -0.9758202 -0.0667623 -0.1006891 -0.00227 -0.6138784 0.8815058 0.3331312 -0.2215345 0.3489241 0.4166079 -0.0860583 -0.3007145 -0.1205503 0.3904342 0.235345 -0.0872318 -0.0337041 -0.0712225 1.0896915 0.3193324 -0.0196428 0.2970777 0.4230273 -1.1156331 -0.0179868 -0.1280466 -0.0165776 -0.8760474 0.1336669 -0.159201 0.1776928 -0.765005 0.2609482 0.0328455 -0.1188479 0.0106078 0.5262269 -0.2967782 -0.0985745 -0.3298269 0.6840121 0.4946164 0.2850196 0.0237886 0.30151 0.671696 0.1145913 0.0049888 0.0931478 0.2550074 -0.7200506 0.0240968 -0.1597715 0.017004 -0.8155142 0.0099423 -0.142744 0.0319804 -0.7833218 0.220934 -0.0293353 0.0268609 -0.0177477 0.3247773 -0.0045847 -0.020188 -0.0206883 0.3184993 1.3993948 -0.3058911 0.4338827 -0.3447954 0.3273771 -0.0925309 0.4981035 -0.0939498 0.4770992 -0.7326215 -0.070723 0.0702473 -0.0854371 -0.7205447 -0.0911402 0.0191666 -0.0617424 -0.7857474 0.262797 0.0519868 -0.0086418 0.0564824 0.2926404 0.0310878 0.0340528 0.0014458 0.3162946 0.303492 0.0066948 -0.1784203 0.0173591 0.2733161 0.0663424 -0.1725949 0.0842377 0.7644549 -0.6836994 0.0625749 0.1036485 0.0404968 -0.7629106 -0.0381155 0.113157 -0.0107384 -0.6448545 0.2700984 -0.0250714 -0.050599 0.0139599 0.3331577 0.0130625 -0.0552062 -0.0243428 0.2718486 0.2989244 -0.1274859 -0.020947 -0.1234185 0.6489277 -0.0214521 -0.0201761 -0.0312745 0.2644395 -0.8688121 0.0561865 -0.0360221 0.044013 -1.0354611 -0.0701272 -0.0543989 -0.061087 -0.7830289 0.2781257 -0.0213173 0.125529 -0.0211786 0.3604556 -0.1885776 0.1068774 -0.1718587 0.6956222 0.6451153 -0.2431148 -0.0659808 -0.2434116 0.4295809 0.0463473 -0.0412433 0.0176767 0.2741559 -0.7688861 0.0474349 -0.0634601 0.0494403 -0.886572 0.0274172 -0.0700756 0.0182497 -0.6817386 0.2371977 0.0359066 0.00325 0.0161666 0.3642256 0.0907176 -0.0331215 0.1058539 0.5643365 0.5600272 0.1972569 0.0184267 0.2124807 0.3704125 -0.0341149 0.0442406 -0.026788 0.2889546 -0.9568308 -0.001082 -0.1326844 -0.0609079 -0.7012493 -0.0754359 -0.1533387 -0.0390365 -0.8018021 0.5962002 0.0189267 0.3463885 0.0202815 0.2200563 0.0436112 0.398371 0.0746772 0.7338346 0.3193337 -0.0095701 -0.0109006 0.0152712 0.2420614 -0.00446 0.0117779 -0.0536029 0.3047802 -0.9561488 -0.0859553 -0.0278869 -0.0924063 -1.0130467 -0.1231385 -0.0022842 -0.088248 -0.8844668 0.3956161 0.2386286 0.1524344 0.3019677 0.6827303 0.2848163 0.176765 0.2738201 0.4287747 0.347269 -0.0420636 -0.0191053 -0.04604 0.2917141 -0.0333431 -0.0135234 -0.0201474 0.2756199 0.453759 -0.3150295 -0.0712272 -0.3344047 0.7514338 0.110819 -0.0891535 0.1294536 0.2876719 0.3442561 -0.0539686 -0.0128483 -0.0555089 0.2755452 -0.0171837 -0.0273881 -0.0381285 0.2899387 0.3438764 0.2518063 -0.0355543 0.2098337 0.6868348 0.0000481 -0.0303266 0.0014021 0.2666019 136.2881735|1.8238747|135.3761616|4.7354324|2.6470251|119.7726622 -0.000003731 0.000000773 0.000001429 -0.000003649 -0.000009089 0.000000405 0.000001279 0.000000200 0.000000958 -0.000001748 0.000007991 -0.000009119 0.000002070 -0.000001175 0.000003270 0.000001058 0.000005706 0.000005343 -0.000006201 0.000000090 -0.000007066 0.000000457 -0.000005545 0.000001956 0.000005023 -0.000000526 -0.000003807 0.000006896 0.000007983 -0.000011961 -0.000006070 -0.000002656 0.000002150 0.000003474 0.000005528 -0.000002126 -0.000004593 0.000000598 0.000001812 -0.000003553 0.000005595 0.000001582 -0.000004373 -0.000002601 -0.000006083 0.000005611 -0.000000844 0.000000685 -0.000003065 0.000002740 0.000004063 0.000005791 -0.000006409 -0.000002975 0.000007874 -0.000013467 -0.000006053 -0.000014348 0.000007286 -0.000009447 0.000004355 -0.000006274 0.000009294 0.000010897 -0.000009388 0.000004897 -0.000006185 0.000002515 0.000005863 0.000000219 -0.000000302 -0.000000767 -0.000004157 0.000007645 0.000000566 0.000004902 -0.000004699 -0.000006485 -0.000003421 -0.000001286 0.000000683 -0.000000536 0.000006279 0.000008360 0.000008577 0.000003714 -0.000000825 -0.000001251 -0.000000842 -0.000000600 0.000001431 0.000000827 0.000004183 0.000000814 0.000005135 -0.000000746 -0.000000403 -0.000003546 0.000007349 -0.000004844 0.000003729 -0.000002170 -0.000007778 0.000004226 0.000001393 0.000000800 -0.000002813 -0.000000695 0.000003347 -0.000001831 -0.000005761 0.000009721 0.000004591 -0.000003586 -0.000005763 -0.000003636 0.000012580 -0.000001005 -0.000001238 -0.000002418 -0.000008671 0.000005446 0.000008126 0.000003591 -0.000003177 -0.000008355 0.000001236 0.000002038 -0.000000670 -0.000001328 -0.000006903 -0.000000690 0.000002092 -0.000001625 0.000001630 0.000005157 -0.000000763 0.000003828 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0574,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0575,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF58/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2OH3O CONF58 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1456.9985386634 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0481319734 0.000000 7.763846 0.000000 4.748621 4.709589 0.000000 8.579200 5.282482 8.226828 0.000000 8.643706 4.887644 7.876886 1.005803 0.000000 6.273923 5.581053 7.125617 4.303683 4.962987 0.000000 5.691268 5.149078 6.345642 4.860789 5.380386 0.976627 0.000000 9.297002 6.198499 9.148312 0.963774 1.586618 4.923981 5.587471 0.000000 6.556131 6.485624 7.848690 5.008088 5.752745 0.962216 1.564035 5.516149 0.000000 8.351705 0.973019 4.908596 5.735026 5.195462 6.495730 6.091373 6.608989 7.414414 0.000000 8.982925 1.527017 5.783510 5.264962 4.671817 6.602757 6.333361 6.074289 7.527031 0.972369 0.000000 4.536870 4.080955 0.961574 7.275177 6.934915 6.331478 5.607878 8.192819 7.096557 4.358736 5.168944 0.000000 5.390242 3.533931 1.561207 6.980162 6.525739 6.599022 5.949802 7.893533 7.435950 3.638645 4.427024 0.980149 0.000000 6.693764 1.927718 4.931261 4.055009 3.958957 3.680033 3.314704 5.010429 4.606384 2.820104 3.038662 4.111416 3.902477 0.000000 7.403948 2.429386 5.909112 3.463315 3.494706 3.437723 3.294590 4.379994 4.340917 3.259838 3.211112 5.083168 4.853635 0.978006 0.000000 3.945743 4.508909 4.062790 5.949048 6.104632 3.257173 2.401867 6.818443 3.847752 5.343291 5.898531 3.420905 3.986123 3.148464 3.781642 0.000000 4.510870 5.148081 5.073488 4.323350 4.238730 4.215306 4.110103 5.026845 4.950576 5.666591 5.877156 4.175283 4.280406 3.843417 4.272956 3.436884 0.000000 3.650387 5.075964 4.383245 5.048859 5.013118 4.102621 3.785857 5.811510 4.798164 5.660215 6.022289 3.533523 3.840873 3.777343 4.353173 2.644275 1.003992 0.000000 5.133572 4.399584 4.731365 4.089699 3.796146 4.603335 4.457357 4.862133 5.442946 4.814882 4.997175 3.796769 3.684289 3.358299 3.843583 3.671579 1.012511 1.600962 0.000000 6.109309 5.611676 6.983071 2.759155 3.244317 2.685682 3.154370 3.317480 3.329941 6.294545 6.246085 6.055051 6.120965 3.860508 3.719311 4.067117 2.447498 2.976009 2.873925 0.000000 6.071644 5.527563 6.994908 3.159453 3.768468 1.704145 2.263952 3.755161 2.361177 6.314471 6.319111 6.100387 6.248538 3.646181 3.446051 3.628788 2.992089 3.239276 3.430262 0.987292 0.000000 6.988572 5.413133 7.391997 1.781476 2.336207 3.123682 3.669769 2.357358 3.813293 6.029878 5.835456 6.440525 6.364585 3.783427 3.461688 4.698054 2.983429 3.643731 3.122244 0.982970 1.588253 0.000000 4.869974 4.264275 4.687942 5.742609 5.979788 2.762825 1.825441 6.611572 3.354105 5.180275 5.677125 4.057160 4.503006 2.807166 3.285588 0.987332 4.009313 3.372023 4.164495 4.122796 3.511663 4.642770 0.000000 5.111400 4.574504 4.719272 6.615191 6.845660 3.453603 2.483589 7.487622 3.894539 5.477512 6.059974 4.254329 4.773065 3.401188 3.894629 1.569599 4.895976 4.182208 5.023164 5.072250 4.417379 5.581336 0.963286 0.000000 5.121152 5.250221 5.886038 3.527188 3.658544 3.399545 3.506895 4.194633 4.119018 5.861277 5.955080 4.964448 5.055669 3.680721 3.875099 3.526078 1.093396 1.734446 1.687459 1.355199 1.975057 1.984582 3.876423 4.826415 0.000000 8.975447 3.704642 7.681023 2.726472 2.920024 4.070480 4.321201 3.415121 4.830706 4.288119 3.826775 6.836602 6.514265 2.781977 1.833067 5.440907 5.390650 5.716473 4.981528 4.158235 3.954878 3.530612 4.876597 5.484380 4.753267 0.000000 9.480696 4.362542 8.343821 3.309320 3.686834 4.091468 4.406639 3.850409 4.713207 4.988924 4.553506 7.527358 7.267555 3.417564 2.444404 5.829634 6.108594 6.377419 5.793737 4.639654 4.278910 4.057812 5.144156 5.664394 5.390037 0.963386 0.000000 8.857925 4.307103 7.952269 1.777600 2.140912 3.927934 4.347413 2.440572 4.671530 4.858237 4.374019 7.055484 6.750457 3.179249 2.308363 5.579714 5.004894 5.469635 4.667343 3.534052 3.473551 2.773578 5.119417 5.843667 4.265548 0.985390 1.567812 0.000000 9.938679 3.039596 7.432883 4.105630 3.523662 6.473645 6.496477 4.728677 7.353907 2.907328 1.987071 6.687890 6.009185 3.607929 3.241496 6.728519 6.186373 6.581684 5.379757 5.894008 6.029487 5.217100 6.395986 6.931449 5.969827 2.813496 3.526489 3.206980 0.000000 10.895412 3.783509 8.253269 4.755998 4.191752 7.275720 7.329569 5.256414 8.123834 3.532683 2.574783 7.547671 6.835100 4.500892 4.081774 7.641241 7.133185 7.543913 6.322289 6.755765 6.880239 6.027683 7.265083 7.756911 6.895773 3.403463 3.953936 3.821824 0.963543 0.000000 9.729696 3.104236 7.570419 3.594240 3.231180 5.725751 5.810924 4.236523 6.566257 3.266073 2.490130 6.788334 6.223236 3.224787 2.634423 6.335704 6.004481 6.376949 5.311690 5.384646 5.408028 4.698917 5.901129 6.444902 5.639628 1.882458 2.550456 2.391359 0.977510 1.558774 0.000000 6.301967 3.183026 4.590194 3.993500 3.426677 5.194724 5.001762 4.840566 6.129841 3.410783 3.518081 3.675129 3.190083 2.729770 3.241582 4.223837 2.568782 2.947090 1.578788 3.783225 4.230634 3.678354 4.508479 5.266284 2.957792 4.344737 5.254435 4.220341 4.048957 4.973511 4.169050 0.000000 6.344593 2.432734 4.527390 3.813151 3.392039 4.552888 4.302937 4.741141 5.508165 2.886306 3.041555 3.607719 3.195750 1.743240 2.311552 3.670282 2.841495 3.038597 2.023809 3.621262 3.851411 3.513406 3.781685 4.510843 3.006183 3.622470 4.487771 3.654682 3.635782 4.592743 3.601065 0.988279 0.000000 6.420689 3.075348 4.031782 4.906378 4.265875 5.981364 5.676795 5.743961 6.916985 3.091024 3.348029 3.201914 2.529341 3.161728 3.812582 4.559237 3.226337 3.430880 2.246894 4.725139 5.134171 4.657405 4.905787 5.549105 3.803535 5.015123 5.924844 5.012808 4.274188 5.145422 4.563460 0.980540 1.564216 0.000000 8.822033 4.335053 7.312717 2.608640 1.615139 6.044180 6.250962 3.127061 6.925739 4.356278 3.776848 6.424926 5.826312 4.021965 3.815357 6.428563 4.466667 5.206781 3.715636 4.326073 4.898613 3.594189 6.411261 7.218637 4.267515 3.598016 4.506265 3.176953 2.848550 3.516457 3.031431 2.810826 3.019104 3.377875 0.000000 9.297461 3.857812 7.358378 3.066575 2.169672 6.295826 6.443425 3.617749 7.193852 3.780337 3.060162 6.513232 5.847393 3.876531 3.616894 6.618633 5.103494 5.732007 4.292661 4.935159 5.366870 4.196085 6.502581 7.230608 4.915431 3.288906 4.183781 3.104977 1.925518 2.557022 2.270897 3.128639 3.135211 3.542573 0.973765 0.000000 7.989490 3.891973 6.402334 3.021934 2.129002 5.821736 5.906123 3.687898 6.737558 3.929122 3.540949 5.515346 4.921686 3.583988 3.610336 5.765439 3.739936 4.431024 2.891632 4.074240 4.665578 3.526726 5.858199 6.662146 3.732642 3.871139 4.823391 3.539931 3.157330 3.953735 3.379420 1.884135 2.268829 2.439540 0.974440 1.543662 0.000000 6.963994 2.973184 3.265568 6.503668 5.845928 7.176631 6.690778 7.368333 8.100016 2.642533 3.239786 2.770528 1.798070 3.914515 4.698959 5.189053 4.768604 4.691405 3.885630 6.365810 6.629427 6.337997 5.515055 5.898467 5.429633 6.039904 6.885067 6.280557 4.823863 5.554277 5.275793 2.737751 2.901609 1.813815 4.789320 4.662899 3.960487 0.000000 7.539793 2.152633 3.802991 6.241236 5.597961 6.986331 6.518018 7.118631 7.920730 1.671989 2.317079 3.297624 2.388682 3.466453 4.169626 5.251423 5.132241 5.082962 4.228043 6.387937 6.567665 6.263073 5.398491 5.743903 5.625301 5.425446 6.234244 5.784142 4.061148 4.749555 4.525797 2.882289 2.775133 2.139977 4.555235 4.243942 3.851967 0.997553 0.000000 7.597302 3.732315 3.715678 7.211834 6.477190 8.125548 7.650709 8.034388 9.051744 3.209140 3.722567 3.405028 2.441333 4.838449 5.582884 6.107314 5.518764 5.483635 4.622188 7.199965 7.521062 7.138371 6.461466 6.817062 6.232518 6.819615 7.679506 7.050733 5.298150 5.929580 5.874970 3.477785 3.770396 2.509633 5.261708 5.110077 4.470697 0.962890 1.585249 0.000000 2.735686 5.081596 3.346201 6.308588 6.296120 4.435160 3.786741 7.143608 5.040297 5.719475 6.302555 2.680457 3.350733 3.978300 4.735068 1.744034 2.632629 1.640300 2.955290 4.244085 4.181211 4.947745 2.711849 3.230658 3.218087 6.378818 6.947400 6.355620 7.232862 8.185047 7.021795 3.841233 3.695516 4.037079 6.397345 6.748706 5.581117 4.726233 5.114751 5.532745 0.000000 1.755176 6.033209 3.666214 7.102036 7.123751 5.002988 4.365737 7.893047 5.476704 6.650466 7.258850 3.195057 3.983031 4.948031 5.685183 2.396557 3.192323 2.211677 3.673478 4.837740 4.779180 5.630787 3.376801 3.765127 3.808413 7.302515 7.842262 7.242228 8.206096 9.159940 7.995056 4.703001 4.642472 4.860606 7.258399 7.661062 6.431728 5.478943 5.952959 6.216542 0.981523 0.000000 0.963184 8.363429 5.250315 8.886091 8.915867 6.892622 6.396190 9.552969 7.175966 8.896440 9.493859 5.041311 5.827209 7.312633 8.011855 4.744796 4.693144 3.962150 5.345939 6.411417 6.497567 7.285230 5.687123 6.002479 5.367823 9.525369 10.074904 9.332771 10.401394 11.361138 10.234966 6.597791 6.771941 6.706114 9.060338 9.606426 8.219700 7.315086 7.972729 7.879235 3.364088 2.434159 0.000000 3.189872 4.643446 2.378008 6.626618 6.479611 5.121304 4.426311 7.504004 5.800467 5.175211 5.846918 1.697397 2.425461 3.909713 4.785715 2.200415 3.048743 2.172736 3.065938 4.872669 4.866110 5.454231 3.081613 3.470844 3.778072 6.514136 7.142000 6.581091 7.001397 7.934609 6.904184 3.611912 3.505348 3.570715 6.341236 6.608573 5.465612 3.945992 4.398710 4.710267 0.990490 1.592555 3.773852 0.000000 0.962859 8.382436 5.266045 9.312065 9.432457 6.648248 6.026867 10.029426 6.822179 9.006572 9.672009 5.163448 6.073460 7.300748 7.997257 4.356608 5.373318 4.487573 6.012518 6.785289 6.644376 7.692212 5.204622 5.301258 5.898307 9.583077 10.023394 9.505333 10.662208 11.613357 10.412165 7.149665 7.116978 7.266246 9.668497 10.114832 8.850745 7.720956 8.258651 8.361203 3.433684 2.475541 1.543387 3.882318 0.000000 6.058928 2.611062 4.709837 4.562107 4.619586 3.131166 2.568228 5.500959 4.004170 3.551465 3.913028 3.930735 3.957938 0.976840 1.581858 2.295240 3.785322 3.504918 3.522925 3.804902 3.408161 3.951140 1.841731 2.442266 3.613128 3.366495 3.828738 3.730398 4.560334 5.433189 4.110689 3.276817 2.354593 3.701531 4.855741 4.799544 4.372301 4.383825 4.049953 5.339172 3.424927 4.349343 6.752520 3.476304 6.585434 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.7367,-.3275,-.6364;1.339,1.9676,1.5874;-3.047,3.3807,.6144;2.5856,-2.3261,-1.2258;2.7802,-1.4232,-1.6241;-.6157,-3.2591,1.495;-1.1395,-2.5356,1.8897;3.1112,-2.9726,-1.7104;-.9677,-4.089,1.8315;1.7798,2.7745,1.2691;2.6506,2.4557,.9764;-2.4698,2.6767,.3049;-1.6269,3.0957,.0318;.6508,.1905,1.2973;1.3733,-.4561,1.4252;-2.4071,-.539,1.4704;-1.4026,-.7623,-1.8088;-2.1291,-.5212,-1.1592;-.7371,-.0011,-1.7548;-.1401,-2.734,-1.0956;-.3101,-3.0094,-.1628;.8327,-2.6431,-1.2032;-1.7991,-.8583,2.1797;-2.1765,-.5836,3.0223;-.8682,-1.6635,-1.4962;2.9707,-1.3449,1.2886;3.2259,-1.9442,1.9984;2.9145,-1.8801,.4632;4.0338,1.1253,.4615;4.9519,1.348,.6507;3.8508,.275,.9077;.3871,1.0071,-1.2941;.5092,.7493,-.3479;.223,1.9737,-1.2783;2.9685,.1388,-1.9893;3.4895,.603,-1.3101;2.0914,.5625,-1.9632;.0107,3.6031,-.5104;.7288,3.4671,.1685;.1568,4.4579,-.9288;-3.1102,.0913,.004;-4.0615,-.0486,-.1928;-6.0684,-.3332,-1.5406;-2.9565,1.0675,.0706;-6.4824,-.5514,-.0699;-.1551,-.1699,1.7156; 0.3383362 0.2228400 0.1765309 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.28D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 522 519 520 522 522 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55537826097 -1147.55537826 1 1.143862810291e+03 -5.610685343976e+03 1.862316748734e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT137.800S Tue Nov 5 12:32:46 2024 -19.28015 -19.26302 -19.25942 -19.25779 -19.25020 -19.24831 -19.24663 -19.24559 -19.24411 -19.24214 -19.23984 -19.23937 -19.23769 -19.22012 -19.21834 -1.18830 -1.15492 -1.15223 -1.14999 -1.14390 -1.13928 -1.13643 -1.13525 -1.13210 -1.12730 -1.12370 -1.11985 -1.11880 -1.10548 -1.10439 -0.69175 -0.68378 -0.67822 -0.67635 -0.67274 -0.66706 -0.66482 -0.66266 -0.66082 -0.65588 -0.65417 -0.65346 -0.65242 -0.65167 -0.63178 -0.62637 -0.57093 -0.56482 -0.55421 -0.54658 -0.54218 -0.53091 -0.52556 -0.51851 -0.51588 -0.51028 -0.50630 -0.49709 -0.49136 -0.48844 -0.47605 -0.45836 -0.45545 -0.45455 -0.45405 -0.44830 -0.44652 -0.44265 -0.44256 -0.44128 -0.43832 -0.43708 -0.43247 -0.41869 -0.41579 -0.11863 -0.10060 -0.08566 -0.08431 -0.06747 -0.05841 -0.05529 -0.04718 -0.04066 -0.02735 -0.01972 -0.01220 -0.00322 0.00040 0.00118 0.00706 0.01056 0.01423 0.01790 0.02346 0.02557 0.03491 0.03810 0.04244 0.04482 0.05382 0.05882 0.06056 0.06313 0.06916 0.07102 0.07613 0.07724 0.08098 0.08483 0.08625 0.09373 0.09909 0.10351 0.10825 0.11333 0.11414 0.11810 0.12054 0.12349 0.12364 0.13013 0.13325 0.13842 0.14263 0.14320 0.14562 0.15025 0.15310 0.15611 0.16019 0.16098 0.16307 0.16728 0.17201 0.17406 0.17631 0.17966 0.18132 0.18492 0.19391 0.19439 0.19868 0.20763 0.21504 0.21745 0.22970 0.23562 0.24511 0.25323 0.25920 0.26796 0.27322 0.28216 0.31103 0.31593 0.32540 0.33198 0.33845 0.34355 0.34860 0.35632 0.36255 0.37285 0.38364 0.39654 0.40361 0.40712 0.41850 0.41957 0.42660 0.43465 0.44107 0.44376 0.44674 0.45644 0.46238 0.46640 0.47771 0.48039 0.49250 0.49431 0.50242 0.50967 0.51298 0.51576 0.52819 0.53573 0.54551 0.55232 0.55911 0.56909 0.57917 0.58633 0.59290 0.60254 0.62783 0.80261 0.82157 0.82496 0.83107 0.83592 0.85481 0.85699 0.86448 0.87062 0.87226 0.88091 0.88405 0.89687 0.90077 0.90649 0.91154 0.91262 0.91650 0.92432 0.92955 0.93805 0.94087 0.94224 0.95137 0.95566 0.96099 0.96680 0.97192 0.97609 0.98139 0.98473 0.98869 0.99258 0.99614 1.00362 1.00929 1.01757 1.02510 1.04129 1.04186 1.05650 1.06131 1.07049 1.09469 1.11248 1.11376 1.12924 1.13828 1.14880 1.15675 1.16787 1.17220 1.17803 1.18498 1.19430 1.19625 1.20415 1.21153 1.21533 1.22738 1.23302 1.23623 1.23673 1.24417 1.25342 1.25886 1.26988 1.28324 1.28971 1.29813 1.30386 1.31364 1.32685 1.33132 1.33819 1.35305 1.36608 1.37733 1.37870 1.38410 1.38986 1.39815 1.40665 1.41784 1.42021 1.43152 1.44571 1.44812 1.45579 1.46597 1.47454 1.47865 1.47989 1.49459 1.50871 1.51369 1.51736 1.52866 1.54007 1.55337 1.55701 1.56889 1.58060 1.58261 1.60565 1.61089 1.62288 1.64358 1.65657 1.66662 1.67075 1.68195 1.70027 1.71010 1.71441 1.72991 1.73888 1.75383 1.77541 1.79170 1.81745 1.85519 1.91261 1.91690 1.91860 1.92558 1.92862 1.92925 1.94097 1.95906 2.05000 2.07275 2.09738 2.09838 2.11220 2.12790 2.14922 2.15665 2.17254 2.17662 2.18685 2.20212 2.20471 2.21103 2.22686 2.23503 2.25333 2.25752 2.26507 2.27029 2.28806 2.31817 2.33068 2.34016 2.36655 2.38279 2.40907 2.42296 2.42887 2.44523 2.44686 2.45850 2.48652 2.52623 2.53489 2.54475 2.56073 2.56973 2.58587 2.60406 2.61000 2.62104 2.63145 2.65699 2.66888 2.67732 2.70250 2.70864 2.72107 2.73767 2.75387 2.77734 2.78143 2.83728 2.94382 2.95021 2.96135 2.96963 2.97358 2.97525 2.98263 2.99269 3.00076 3.00801 3.00875 3.01054 3.01405 3.02625 3.02913 3.03298 3.03408 3.03759 3.04746 3.04956 3.05783 3.06058 3.06659 3.07833 3.08452 3.11383 3.11800 3.15954 3.16604 3.17311 3.18284 3.18668 3.19310 3.19863 3.19899 3.20455 3.21077 3.22013 3.23049 3.23494 3.23826 3.24889 3.26714 3.28052 3.47970 3.56165 3.56765 3.57846 3.58225 3.59142 3.60310 3.60984 3.61653 3.63020 3.63896 3.64186 3.65235 3.66001 3.67803 3.73677 3.75964 3.76490 3.77468 3.78642 3.79596 3.79925 3.80710 3.81682 3.81967 3.82698 3.83182 3.84063 3.84898 3.86823 3.88003 4.80746 4.85168 4.86832 4.88793 4.90541 4.91216 4.92199 4.92257 4.93061 4.93739 4.94663 4.95761 4.99117 5.02902 5.06874 5.24383 5.25767 5.26331 5.28915 5.30082 5.30857 5.32502 5.32859 5.34463 5.35536 5.37788 5.38548 5.39574 5.42517 5.49510 5.52770 5.53548 5.54029 5.54526 5.55523 5.56156 5.56912 5.57422 5.58516 5.60022 5.60637 5.62040 5.62796 5.64873 5.77143 49.73566 49.76171 49.76785 49.77585 49.78865 49.79102 49.79309 49.79678 49.82161 49.82350 49.82534 49.84049 49.84901 49.85606 49.87024 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.627007 0.295496 0.317409 -0.759726 0.419003 -0.677532 0.369565 0.321917 0.314368 -0.582329 0.336835 -0.727770 0.421402 -0.751792 0.361418 0.383520 -0.611424 0.419664 0.429851 -0.660203 0.394273 0.378163 -0.709004 0.313476 0.497154 -0.677034 0.317937 0.357165 -0.680460 0.318398 0.353258 -0.835978 0.421190 0.428870 -0.628057 0.332712 0.353767 -0.774672 0.411554 0.328939 -0.903728 0.531988 0.305173 0.453738 0.308027 0.410487 1.00000 -4.2846 -1.2226 3.0098 5.3769 -5.4625 -60.6168 -86.2486 -6.7017 2.6923 -11.5039 45.3134 -9.8409 -35.4726 -6.7017 2.6923 -11.5039 -230.2501 27.7869 46.8433 2.9903 -34.8355 13.6983 -34.5502 -30.8363 -1.0777 5.6101 -787.3115 -1587.6049 -986.2669 164.0138 373.5316 -158.2464 -232.5851 -2.3701 -69.6855 -809.3039 -655.9099 -500.6683 46.9799 -126.7406 -52.8040 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF58 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5553783 RMSD=8.890e-10 Dipole=-0.9754706,-1.7604748,0.6513593 Quadrupole=12.2911202,8.7341381,-21.0252583,17.5029131,18.9566678,6.6022297 PG=C01 [X(H31O15)] 0 -3.4642694708 -4.0750895852 -2.2347674416 0 -0.8320829688 1.9176951589 1.9408076251 0 -4.5982577054 0.0574499593 -0.188897305 0 3.612296994 0.4596588808 -0.5140300085 0 3.1541857573 1.3013878096 -0.8194266216 0 1.6912665494 -3.0011462424 1.1753941039 0 0.7481401239 -2.9556731234 1.4248837836 0 4.5161667339 0.4880071601 -0.8473108145 0 2.0027253119 -3.8884785892 1.3790947743 0 -1.071078611 2.846907032 1.7789063717 0 -0.2103300625 3.2970756898 1.7346159501 0 -3.648913175 0.0435580932 -0.3411364341 0 -3.3469623655 0.9759126189 -0.3563849947 0 0.0555761554 0.2858728249 1.4257209274 0 0.9827985514 0.3158533503 1.7353272446 0 -1.4717853351 -2.374205258 0.7158065242 0 -0.0682018231 -1.1072315876 -2.1541942858 0 -0.8393215866 -1.5893342087 -1.7288113203 0 -0.1901847372 -0.1355705781 -1.8969526111 0 2.0786937358 -1.7400322078 -1.1639177405 0 2.0028754854 -2.2524582788 -0.3234314267 0 2.6765342049 -0.9789517805 -0.9919469566 0 -0.9605518363 -2.3275258125 1.5591842919 0 -1.5584768636 -2.5868632297 2.2685143872 0 0.8871402385 -1.4231198045 -1.726350142 0 2.7127525134 0.8451173886 2.0307474695 0 3.1936611136 0.4549062272 2.7687002485 0 3.2097049629 0.6212598612 1.2098217481 0 1.7653298649 3.4583920068 1.59606686 0 2.178990376 4.2064502112 2.0407115291 0 2.1844676132 2.650211553 1.9520073778 0 -0.2590836431 1.2340500468 -1.1146719373 0 -0.1564310897 0.933425674 -0.1788395888 0 -1.0740339782 1.7792681481 -1.1218809003 0 2.2064666525 2.5833113543 -1.0786053721 0 2.0950777489 3.11334763 -0.2693631966 0 1.3119143789 2.2594358969 -1.2893538869 0 -2.5351943063 2.5795832879 -0.4046426503 0 -2.0790424937 2.8349525701 0.4449597981 0 -2.9869553585 3.3592263584 -0.7440927915 0 -2.1395004642 -2.1067116487 -0.8729848797 0 -2.6341020246 -2.8193669919 -1.3322008639 0 -3.5215371921 -4.1098148593 -3.1956206731 0 -2.7596187717 -1.3455510252 -0.7419939597 0 -3.8951831705 -4.8708935457 -1.9059727662 0 -0.2899300385 -0.612546493 1.5921083878 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0575,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF58/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2OH3O CONF58 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 531 A 516 A 516 788 531 75 75 1456.9985386634 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0481319734 0.000000 7.763846 0.000000 4.748621 4.709589 0.000000 8.579200 5.282482 8.226828 0.000000 8.643706 4.887644 7.876886 1.005803 0.000000 6.273923 5.581053 7.125617 4.303683 4.962987 0.000000 5.691268 5.149078 6.345642 4.860789 5.380386 0.976627 0.000000 9.297002 6.198499 9.148312 0.963774 1.586618 4.923981 5.587471 0.000000 6.556131 6.485624 7.848690 5.008088 5.752745 0.962216 1.564035 5.516149 0.000000 8.351705 0.973019 4.908596 5.735026 5.195462 6.495730 6.091373 6.608989 7.414414 0.000000 8.982925 1.527017 5.783510 5.264962 4.671817 6.602757 6.333361 6.074289 7.527031 0.972369 0.000000 4.536870 4.080955 0.961574 7.275177 6.934915 6.331478 5.607878 8.192819 7.096557 4.358736 5.168944 0.000000 5.390242 3.533931 1.561207 6.980162 6.525739 6.599022 5.949802 7.893533 7.435950 3.638645 4.427024 0.980149 0.000000 6.693764 1.927718 4.931261 4.055009 3.958957 3.680033 3.314704 5.010429 4.606384 2.820104 3.038662 4.111416 3.902477 0.000000 7.403948 2.429386 5.909112 3.463315 3.494706 3.437723 3.294590 4.379994 4.340917 3.259838 3.211112 5.083168 4.853635 0.978006 0.000000 3.945743 4.508909 4.062790 5.949048 6.104632 3.257173 2.401867 6.818443 3.847752 5.343291 5.898531 3.420905 3.986123 3.148464 3.781642 0.000000 4.510870 5.148081 5.073488 4.323350 4.238730 4.215306 4.110103 5.026845 4.950576 5.666591 5.877156 4.175283 4.280406 3.843417 4.272956 3.436884 0.000000 3.650387 5.075964 4.383245 5.048859 5.013118 4.102621 3.785857 5.811510 4.798164 5.660215 6.022289 3.533523 3.840873 3.777343 4.353173 2.644275 1.003992 0.000000 5.133572 4.399584 4.731365 4.089699 3.796146 4.603335 4.457357 4.862133 5.442946 4.814882 4.997175 3.796769 3.684289 3.358299 3.843583 3.671579 1.012511 1.600962 0.000000 6.109309 5.611676 6.983071 2.759155 3.244317 2.685682 3.154370 3.317480 3.329941 6.294545 6.246085 6.055051 6.120965 3.860508 3.719311 4.067117 2.447498 2.976009 2.873925 0.000000 6.071644 5.527563 6.994908 3.159453 3.768468 1.704145 2.263952 3.755161 2.361177 6.314471 6.319111 6.100387 6.248538 3.646181 3.446051 3.628788 2.992089 3.239276 3.430262 0.987292 0.000000 6.988572 5.413133 7.391997 1.781476 2.336207 3.123682 3.669769 2.357358 3.813293 6.029878 5.835456 6.440525 6.364585 3.783427 3.461688 4.698054 2.983429 3.643731 3.122244 0.982970 1.588253 0.000000 4.869974 4.264275 4.687942 5.742609 5.979788 2.762825 1.825441 6.611572 3.354105 5.180275 5.677125 4.057160 4.503006 2.807166 3.285588 0.987332 4.009313 3.372023 4.164495 4.122796 3.511663 4.642770 0.000000 5.111400 4.574504 4.719272 6.615191 6.845660 3.453603 2.483589 7.487622 3.894539 5.477512 6.059974 4.254329 4.773065 3.401188 3.894629 1.569599 4.895976 4.182208 5.023164 5.072250 4.417379 5.581336 0.963286 0.000000 5.121152 5.250221 5.886038 3.527188 3.658544 3.399545 3.506895 4.194633 4.119018 5.861277 5.955080 4.964448 5.055669 3.680721 3.875099 3.526078 1.093396 1.734446 1.687459 1.355199 1.975057 1.984582 3.876423 4.826415 0.000000 8.975447 3.704642 7.681023 2.726472 2.920024 4.070480 4.321201 3.415121 4.830706 4.288119 3.826775 6.836602 6.514265 2.781977 1.833067 5.440907 5.390650 5.716473 4.981528 4.158235 3.954878 3.530612 4.876597 5.484380 4.753267 0.000000 9.480696 4.362542 8.343821 3.309320 3.686834 4.091468 4.406639 3.850409 4.713207 4.988924 4.553506 7.527358 7.267555 3.417564 2.444404 5.829634 6.108594 6.377419 5.793737 4.639654 4.278910 4.057812 5.144156 5.664394 5.390037 0.963386 0.000000 8.857925 4.307103 7.952269 1.777600 2.140912 3.927934 4.347413 2.440572 4.671530 4.858237 4.374019 7.055484 6.750457 3.179249 2.308363 5.579714 5.004894 5.469635 4.667343 3.534052 3.473551 2.773578 5.119417 5.843667 4.265548 0.985390 1.567812 0.000000 9.938679 3.039596 7.432883 4.105630 3.523662 6.473645 6.496477 4.728677 7.353907 2.907328 1.987071 6.687890 6.009185 3.607929 3.241496 6.728519 6.186373 6.581684 5.379757 5.894008 6.029487 5.217100 6.395986 6.931449 5.969827 2.813496 3.526489 3.206980 0.000000 10.895412 3.783509 8.253269 4.755998 4.191752 7.275720 7.329569 5.256414 8.123834 3.532683 2.574783 7.547671 6.835100 4.500892 4.081774 7.641241 7.133185 7.543913 6.322289 6.755765 6.880239 6.027683 7.265083 7.756911 6.895773 3.403463 3.953936 3.821824 0.963543 0.000000 9.729696 3.104236 7.570419 3.594240 3.231180 5.725751 5.810924 4.236523 6.566257 3.266073 2.490130 6.788334 6.223236 3.224787 2.634423 6.335704 6.004481 6.376949 5.311690 5.384646 5.408028 4.698917 5.901129 6.444902 5.639628 1.882458 2.550456 2.391359 0.977510 1.558774 0.000000 6.301967 3.183026 4.590194 3.993500 3.426677 5.194724 5.001762 4.840566 6.129841 3.410783 3.518081 3.675129 3.190083 2.729770 3.241582 4.223837 2.568782 2.947090 1.578788 3.783225 4.230634 3.678354 4.508479 5.266284 2.957792 4.344737 5.254435 4.220341 4.048957 4.973511 4.169050 0.000000 6.344593 2.432734 4.527390 3.813151 3.392039 4.552888 4.302937 4.741141 5.508165 2.886306 3.041555 3.607719 3.195750 1.743240 2.311552 3.670282 2.841495 3.038597 2.023809 3.621262 3.851411 3.513406 3.781685 4.510843 3.006183 3.622470 4.487771 3.654682 3.635782 4.592743 3.601065 0.988279 0.000000 6.420689 3.075348 4.031782 4.906378 4.265875 5.981364 5.676795 5.743961 6.916985 3.091024 3.348029 3.201914 2.529341 3.161728 3.812582 4.559237 3.226337 3.430880 2.246894 4.725139 5.134171 4.657405 4.905787 5.549105 3.803535 5.015123 5.924844 5.012808 4.274188 5.145422 4.563460 0.980540 1.564216 0.000000 8.822033 4.335053 7.312717 2.608640 1.615139 6.044180 6.250962 3.127061 6.925739 4.356278 3.776848 6.424926 5.826312 4.021965 3.815357 6.428563 4.466667 5.206781 3.715636 4.326073 4.898613 3.594189 6.411261 7.218637 4.267515 3.598016 4.506265 3.176953 2.848550 3.516457 3.031431 2.810826 3.019104 3.377875 0.000000 9.297461 3.857812 7.358378 3.066575 2.169672 6.295826 6.443425 3.617749 7.193852 3.780337 3.060162 6.513232 5.847393 3.876531 3.616894 6.618633 5.103494 5.732007 4.292661 4.935159 5.366870 4.196085 6.502581 7.230608 4.915431 3.288906 4.183781 3.104977 1.925518 2.557022 2.270897 3.128639 3.135211 3.542573 0.973765 0.000000 7.989490 3.891973 6.402334 3.021934 2.129002 5.821736 5.906123 3.687898 6.737558 3.929122 3.540949 5.515346 4.921686 3.583988 3.610336 5.765439 3.739936 4.431024 2.891632 4.074240 4.665578 3.526726 5.858199 6.662146 3.732642 3.871139 4.823391 3.539931 3.157330 3.953735 3.379420 1.884135 2.268829 2.439540 0.974440 1.543662 0.000000 6.963994 2.973184 3.265568 6.503668 5.845928 7.176631 6.690778 7.368333 8.100016 2.642533 3.239786 2.770528 1.798070 3.914515 4.698959 5.189053 4.768604 4.691405 3.885630 6.365810 6.629427 6.337997 5.515055 5.898467 5.429633 6.039904 6.885067 6.280557 4.823863 5.554277 5.275793 2.737751 2.901609 1.813815 4.789320 4.662899 3.960487 0.000000 7.539793 2.152633 3.802991 6.241236 5.597961 6.986331 6.518018 7.118631 7.920730 1.671989 2.317079 3.297624 2.388682 3.466453 4.169626 5.251423 5.132241 5.082962 4.228043 6.387937 6.567665 6.263073 5.398491 5.743903 5.625301 5.425446 6.234244 5.784142 4.061148 4.749555 4.525797 2.882289 2.775133 2.139977 4.555235 4.243942 3.851967 0.997553 0.000000 7.597302 3.732315 3.715678 7.211834 6.477190 8.125548 7.650709 8.034388 9.051744 3.209140 3.722567 3.405028 2.441333 4.838449 5.582884 6.107314 5.518764 5.483635 4.622188 7.199965 7.521062 7.138371 6.461466 6.817062 6.232518 6.819615 7.679506 7.050733 5.298150 5.929580 5.874970 3.477785 3.770396 2.509633 5.261708 5.110077 4.470697 0.962890 1.585249 0.000000 2.735686 5.081596 3.346201 6.308588 6.296120 4.435160 3.786741 7.143608 5.040297 5.719475 6.302555 2.680457 3.350733 3.978300 4.735068 1.744034 2.632629 1.640300 2.955290 4.244085 4.181211 4.947745 2.711849 3.230658 3.218087 6.378818 6.947400 6.355620 7.232862 8.185047 7.021795 3.841233 3.695516 4.037079 6.397345 6.748706 5.581117 4.726233 5.114751 5.532745 0.000000 1.755176 6.033209 3.666214 7.102036 7.123751 5.002988 4.365737 7.893047 5.476704 6.650466 7.258850 3.195057 3.983031 4.948031 5.685183 2.396557 3.192323 2.211677 3.673478 4.837740 4.779180 5.630787 3.376801 3.765127 3.808413 7.302515 7.842262 7.242228 8.206096 9.159940 7.995056 4.703001 4.642472 4.860606 7.258399 7.661062 6.431728 5.478943 5.952959 6.216542 0.981523 0.000000 0.963184 8.363429 5.250315 8.886091 8.915867 6.892622 6.396190 9.552969 7.175966 8.896440 9.493859 5.041311 5.827209 7.312633 8.011855 4.744796 4.693144 3.962150 5.345939 6.411417 6.497567 7.285230 5.687123 6.002479 5.367823 9.525369 10.074904 9.332771 10.401394 11.361138 10.234966 6.597791 6.771941 6.706114 9.060338 9.606426 8.219700 7.315086 7.972729 7.879235 3.364088 2.434159 0.000000 3.189872 4.643446 2.378008 6.626618 6.479611 5.121304 4.426311 7.504004 5.800467 5.175211 5.846918 1.697397 2.425461 3.909713 4.785715 2.200415 3.048743 2.172736 3.065938 4.872669 4.866110 5.454231 3.081613 3.470844 3.778072 6.514136 7.142000 6.581091 7.001397 7.934609 6.904184 3.611912 3.505348 3.570715 6.341236 6.608573 5.465612 3.945992 4.398710 4.710267 0.990490 1.592555 3.773852 0.000000 0.962859 8.382436 5.266045 9.312065 9.432457 6.648248 6.026867 10.029426 6.822179 9.006572 9.672009 5.163448 6.073460 7.300748 7.997257 4.356608 5.373318 4.487573 6.012518 6.785289 6.644376 7.692212 5.204622 5.301258 5.898307 9.583077 10.023394 9.505333 10.662208 11.613357 10.412165 7.149665 7.116978 7.266246 9.668497 10.114832 8.850745 7.720956 8.258651 8.361203 3.433684 2.475541 1.543387 3.882318 0.000000 6.058928 2.611062 4.709837 4.562107 4.619586 3.131166 2.568228 5.500959 4.004170 3.551465 3.913028 3.930735 3.957938 0.976840 1.581858 2.295240 3.785322 3.504918 3.522925 3.804902 3.408161 3.951140 1.841731 2.442266 3.613128 3.366495 3.828738 3.730398 4.560334 5.433189 4.110689 3.276817 2.354593 3.701531 4.855741 4.799544 4.372301 4.383825 4.049953 5.339172 3.424927 4.349343 6.752520 3.476304 6.585434 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.7367,-.3275,-.6364;1.339,1.9676,1.5874;-3.047,3.3807,.6144;2.5856,-2.3261,-1.2258;2.7802,-1.4232,-1.6241;-.6157,-3.2591,1.495;-1.1395,-2.5356,1.8897;3.1112,-2.9726,-1.7104;-.9677,-4.089,1.8315;1.7798,2.7745,1.2691;2.6506,2.4557,.9764;-2.4698,2.6767,.3049;-1.6269,3.0957,.0318;.6508,.1905,1.2973;1.3733,-.4561,1.4252;-2.4071,-.539,1.4704;-1.4026,-.7623,-1.8088;-2.1291,-.5212,-1.1592;-.7371,-.0011,-1.7548;-.1401,-2.734,-1.0956;-.3101,-3.0094,-.1628;.8327,-2.6431,-1.2032;-1.7991,-.8583,2.1797;-2.1765,-.5836,3.0223;-.8682,-1.6635,-1.4962;2.9707,-1.3449,1.2886;3.2259,-1.9442,1.9984;2.9145,-1.8801,.4632;4.0338,1.1253,.4615;4.9519,1.348,.6507;3.8508,.275,.9077;.3871,1.0071,-1.2941;.5092,.7493,-.3479;.223,1.9737,-1.2783;2.9685,.1388,-1.9893;3.4895,.603,-1.3101;2.0914,.5625,-1.9632;.0107,3.6031,-.5104;.7288,3.4671,.1685;.1568,4.4579,-.9288;-3.1102,.0913,.004;-4.0615,-.0486,-.1928;-6.0684,-.3332,-1.5406;-2.9565,1.0675,.0706;-6.4824,-.5514,-.0699;-.1551,-.1699,1.7156; 0.3383362 0.2228400 0.1765309 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 516 RedAO= T EigKep= 1.28D-04 NBF= 516 NBsUse= 516 1.00D-06 EigRej= -1.00D+00 NBFU= 516 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 522 519 520 522 522 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.55537826097 -1147.55537826 1 1.143862810291e+03 -5.610685343976e+03 1.862316748734e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324046064 LenY= 11323763572 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT16969S Tue Nov 5 13:13:15 2024 -19.28015 -19.26302 -19.25942 -19.25779 -19.25020 -19.24831 -19.24663 -19.24559 -19.24411 -19.24214 -19.23984 -19.23937 -19.23769 -19.22012 -19.21834 -1.18830 -1.15492 -1.15223 -1.14999 -1.14390 -1.13928 -1.13643 -1.13525 -1.13210 -1.12730 -1.12370 -1.11985 -1.11880 -1.10548 -1.10439 -0.69175 -0.68378 -0.67822 -0.67635 -0.67274 -0.66706 -0.66482 -0.66266 -0.66082 -0.65588 -0.65417 -0.65346 -0.65242 -0.65167 -0.63178 -0.62637 -0.57093 -0.56482 -0.55421 -0.54658 -0.54218 -0.53091 -0.52556 -0.51851 -0.51588 -0.51028 -0.50630 -0.49709 -0.49136 -0.48844 -0.47605 -0.45836 -0.45545 -0.45455 -0.45405 -0.44830 -0.44652 -0.44265 -0.44256 -0.44128 -0.43832 -0.43708 -0.43247 -0.41869 -0.41579 -0.11863 -0.10060 -0.08566 -0.08431 -0.06747 -0.05841 -0.05529 -0.04718 -0.04066 -0.02735 -0.01972 -0.01220 -0.00322 0.00040 0.00118 0.00706 0.01056 0.01423 0.01790 0.02346 0.02557 0.03491 0.03810 0.04244 0.04482 0.05382 0.05882 0.06056 0.06313 0.06916 0.07102 0.07613 0.07724 0.08098 0.08483 0.08625 0.09373 0.09909 0.10351 0.10825 0.11333 0.11414 0.11810 0.12054 0.12349 0.12364 0.13013 0.13325 0.13842 0.14263 0.14320 0.14562 0.15025 0.15310 0.15611 0.16019 0.16098 0.16307 0.16728 0.17201 0.17406 0.17631 0.17966 0.18132 0.18492 0.19391 0.19439 0.19868 0.20763 0.21504 0.21745 0.22970 0.23562 0.24511 0.25323 0.25920 0.26796 0.27322 0.28216 0.31103 0.31593 0.32540 0.33198 0.33845 0.34355 0.34860 0.35632 0.36255 0.37285 0.38364 0.39654 0.40361 0.40712 0.41850 0.41957 0.42660 0.43465 0.44107 0.44376 0.44674 0.45644 0.46238 0.46640 0.47771 0.48039 0.49250 0.49431 0.50242 0.50967 0.51298 0.51576 0.52819 0.53573 0.54551 0.55232 0.55911 0.56909 0.57917 0.58633 0.59290 0.60254 0.62783 0.80261 0.82157 0.82496 0.83107 0.83592 0.85481 0.85699 0.86448 0.87062 0.87226 0.88091 0.88405 0.89687 0.90077 0.90649 0.91154 0.91262 0.91650 0.92432 0.92955 0.93805 0.94087 0.94224 0.95137 0.95566 0.96099 0.96680 0.97192 0.97609 0.98139 0.98473 0.98869 0.99258 0.99614 1.00362 1.00929 1.01757 1.02510 1.04129 1.04186 1.05650 1.06131 1.07049 1.09469 1.11248 1.11376 1.12924 1.13828 1.14880 1.15675 1.16787 1.17220 1.17803 1.18498 1.19430 1.19625 1.20415 1.21153 1.21533 1.22738 1.23302 1.23623 1.23673 1.24417 1.25342 1.25886 1.26988 1.28324 1.28971 1.29813 1.30386 1.31364 1.32685 1.33132 1.33819 1.35305 1.36608 1.37733 1.37870 1.38410 1.38986 1.39815 1.40665 1.41784 1.42021 1.43152 1.44571 1.44812 1.45579 1.46597 1.47454 1.47865 1.47989 1.49459 1.50871 1.51369 1.51736 1.52866 1.54007 1.55337 1.55701 1.56889 1.58060 1.58261 1.60565 1.61089 1.62288 1.64358 1.65657 1.66662 1.67075 1.68195 1.70027 1.71010 1.71441 1.72991 1.73888 1.75383 1.77541 1.79170 1.81745 1.85519 1.91261 1.91690 1.91860 1.92558 1.92862 1.92925 1.94097 1.95906 2.05000 2.07275 2.09738 2.09838 2.11220 2.12790 2.14922 2.15665 2.17254 2.17662 2.18685 2.20212 2.20471 2.21103 2.22686 2.23503 2.25333 2.25752 2.26507 2.27029 2.28806 2.31817 2.33068 2.34016 2.36655 2.38279 2.40907 2.42296 2.42887 2.44523 2.44686 2.45850 2.48652 2.52623 2.53489 2.54475 2.56073 2.56973 2.58587 2.60406 2.61000 2.62104 2.63145 2.65699 2.66888 2.67732 2.70250 2.70864 2.72107 2.73767 2.75387 2.77734 2.78143 2.83728 2.94382 2.95021 2.96135 2.96963 2.97358 2.97525 2.98263 2.99269 3.00076 3.00801 3.00875 3.01054 3.01405 3.02625 3.02913 3.03298 3.03408 3.03759 3.04746 3.04956 3.05783 3.06058 3.06659 3.07833 3.08452 3.11383 3.11800 3.15954 3.16604 3.17311 3.18284 3.18668 3.19310 3.19863 3.19899 3.20455 3.21077 3.22013 3.23049 3.23494 3.23826 3.24889 3.26714 3.28052 3.47970 3.56165 3.56765 3.57846 3.58225 3.59142 3.60310 3.60984 3.61653 3.63020 3.63896 3.64186 3.65235 3.66001 3.67803 3.73677 3.75964 3.76490 3.77468 3.78642 3.79596 3.79925 3.80710 3.81682 3.81967 3.82698 3.83182 3.84063 3.84898 3.86823 3.88003 4.80746 4.85168 4.86832 4.88793 4.90541 4.91216 4.92199 4.92257 4.93061 4.93739 4.94663 4.95761 4.99117 5.02902 5.06874 5.24383 5.25767 5.26331 5.28915 5.30082 5.30857 5.32502 5.32859 5.34463 5.35536 5.37788 5.38548 5.39574 5.42517 5.49510 5.52770 5.53548 5.54029 5.54526 5.55523 5.56156 5.56912 5.57422 5.58516 5.60022 5.60637 5.62040 5.62796 5.64873 5.77143 49.73566 49.76171 49.76785 49.77585 49.78865 49.79102 49.79309 49.79678 49.82161 49.82350 49.82534 49.84049 49.84901 49.85606 49.87024 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.627007 0.295496 0.317409 -0.759726 0.419003 -0.677532 0.369565 0.321917 0.314368 -0.582329 0.336835 -0.727770 0.421402 -0.751792 0.361418 0.383520 -0.611424 0.419664 0.429851 -0.660203 0.394273 0.378163 -0.709004 0.313476 0.497154 -0.677034 0.317937 0.357165 -0.680460 0.318398 0.353258 -0.835978 0.421190 0.428870 -0.628057 0.332712 0.353767 -0.774672 0.411554 0.328939 -0.903728 0.531988 0.305173 0.453738 0.308027 0.410487 1.00000 -4.2846 -1.2226 3.0098 5.3769 -5.4625 -60.6168 -86.2486 -6.7017 2.6923 -11.5039 45.3134 -9.8409 -35.4726 -6.7017 2.6923 -11.5039 -230.2501 27.7869 46.8433 2.9903 -34.8355 13.6983 -34.5502 -30.8363 -1.0777 5.6101 -787.3115 -1587.6049 -986.2669 164.0138 373.5316 -158.2464 -232.5851 -2.3701 -69.6855 -809.3039 -655.9099 -500.6683 46.9799 -126.7406 -52.8040 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 05-Nov-2024 0 Wavefunction 14H2OH3O CONF58 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5553783 RMSD=8.892e-10 Dipole=-0.9754706,-1.7604748,0.6513593 Quadrupole=12.2911202,8.7341381,-21.0252583,17.5029131,18.9566678,6.6022297 PG=C01 [X(H31O15)] 0 -3.4642694708 -4.0750895852 -2.2347674416 0 -0.8320829688 1.9176951589 1.9408076251 0 -4.5982577054 0.0574499593 -0.188897305 0 3.612296994 0.4596588808 -0.5140300085 0 3.1541857573 1.3013878096 -0.8194266216 0 1.6912665494 -3.0011462424 1.1753941039 0 0.7481401239 -2.9556731234 1.4248837836 0 4.5161667339 0.4880071601 -0.8473108145 0 2.0027253119 -3.8884785892 1.3790947743 0 -1.071078611 2.846907032 1.7789063717 0 -0.2103300625 3.2970756898 1.7346159501 0 -3.648913175 0.0435580932 -0.3411364341 0 -3.3469623655 0.9759126189 -0.3563849947 0 0.0555761554 0.2858728249 1.4257209274 0 0.9827985514 0.3158533503 1.7353272446 0 -1.4717853351 -2.374205258 0.7158065242 0 -0.0682018231 -1.1072315876 -2.1541942858 0 -0.8393215866 -1.5893342087 -1.7288113203 0 -0.1901847372 -0.1355705781 -1.8969526111 0 2.0786937358 -1.7400322078 -1.1639177405 0 2.0028754854 -2.2524582788 -0.3234314267 0 2.6765342049 -0.9789517805 -0.9919469566 0 -0.9605518363 -2.3275258125 1.5591842919 0 -1.5584768636 -2.5868632297 2.2685143872 0 0.8871402385 -1.4231198045 -1.726350142 0 2.7127525134 0.8451173886 2.0307474695 0 3.1936611136 0.4549062272 2.7687002485 0 3.2097049629 0.6212598612 1.2098217481 0 1.7653298649 3.4583920068 1.59606686 0 2.178990376 4.2064502112 2.0407115291 0 2.1844676132 2.650211553 1.9520073778 0 -0.2590836431 1.2340500468 -1.1146719373 0 -0.1564310897 0.933425674 -0.1788395888 0 -1.0740339782 1.7792681481 -1.1218809003 0 2.2064666525 2.5833113543 -1.0786053721 0 2.0950777489 3.11334763 -0.2693631966 0 1.3119143789 2.2594358969 -1.2893538869 0 -2.5351943063 2.5795832879 -0.4046426503 0 -2.0790424937 2.8349525701 0.4449597981 0 -2.9869553585 3.3592263584 -0.7440927915 0 -2.1395004642 -2.1067116487 -0.8729848797 0 -2.6341020246 -2.8193669919 -1.3322008639 0 -3.5215371921 -4.1098148593 -3.1956206731 0 -2.7596187717 -1.3455510252 -0.7419939597 0 -3.8951831705 -4.8708935457 -1.9059727662 0 -0.2899300385 -0.612546493 1.5921083878 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(H31O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.4643,-4.0751,-2.2348;-.8321,1.9177,1.9408;-4.5983,.0575,-.1889;3.6123,.4597,-.514;3.1542,1.3014,-.8194;1.6913,-3.0011,1.1754;.7481,-2.9557,1.4249;4.5162,.488,-.8473;2.0027,-3.8885,1.3791;-1.0711,2.8469,1.7789;-.2103,3.2971,1.7346;-3.6489,.0436,-.3411;-3.347,.9759,-.3564;.0556,.2859,1.4257;.9828,.3159,1.7353;-1.4718,-2.3742,.7158;-.0682,-1.1072,-2.1542;-.8393,-1.5893,-1.7288;-.1902,-.1356,-1.897;2.0787,-1.74,-1.1639;2.0029,-2.2525,-.3234;2.6765,-.979,-.9919;-.9606,-2.3275,1.5592;-1.5585,-2.5869,2.2685;.8871,-1.4231,-1.7264;2.7128,.8451,2.0307;3.1937,.4549,2.7687;3.2097,.6213,1.2098;1.7653,3.4584,1.5961;2.179,4.2065,2.0407;2.1845,2.6502,1.952;-.2591,1.2341,-1.1147;-.1564,.9334,-.1788;-1.074,1.7793,-1.1219;2.2065,2.5833,-1.0786;2.0951,3.1133,-.2694;1.3119,2.2594,-1.2894;-2.5352,2.5796,-.4046;-2.079,2.835,.445;-2.987,3.3592,-.7441;-2.1395,-2.1067,-.873;-2.6341,-2.8194,-1.3322;-3.5215,-4.1098,-3.1956;-2.7596,-1.3456,-.742;-3.8952,-4.8709,-1.906;-.2899,-.6125,1.5921; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2OH3O/gas/CONF58/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 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=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2OH3O CONF58 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 954 A 864 A 864 1211 954 75 75 1456.9985386634 46 46 46 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0481319734 0.000000 7.763846 0.000000 4.748621 4.709589 0.000000 8.579200 5.282482 8.226828 0.000000 8.643706 4.887644 7.876886 1.005803 0.000000 6.273923 5.581053 7.125617 4.303683 4.962987 0.000000 5.691268 5.149078 6.345642 4.860789 5.380386 0.976627 0.000000 9.297002 6.198499 9.148312 0.963774 1.586618 4.923981 5.587471 0.000000 6.556131 6.485624 7.848690 5.008088 5.752745 0.962216 1.564035 5.516149 0.000000 8.351705 0.973019 4.908596 5.735026 5.195462 6.495730 6.091373 6.608989 7.414414 0.000000 8.982925 1.527017 5.783510 5.264962 4.671817 6.602757 6.333361 6.074289 7.527031 0.972369 0.000000 4.536870 4.080955 0.961574 7.275177 6.934915 6.331478 5.607878 8.192819 7.096557 4.358736 5.168944 0.000000 5.390242 3.533931 1.561207 6.980162 6.525739 6.599022 5.949802 7.893533 7.435950 3.638645 4.427024 0.980149 0.000000 6.693764 1.927718 4.931261 4.055009 3.958957 3.680033 3.314704 5.010429 4.606384 2.820104 3.038662 4.111416 3.902477 0.000000 7.403948 2.429386 5.909112 3.463315 3.494706 3.437723 3.294590 4.379994 4.340917 3.259838 3.211112 5.083168 4.853635 0.978006 0.000000 3.945743 4.508909 4.062790 5.949048 6.104632 3.257173 2.401867 6.818443 3.847752 5.343291 5.898531 3.420905 3.986123 3.148464 3.781642 0.000000 4.510870 5.148081 5.073488 4.323350 4.238730 4.215306 4.110103 5.026845 4.950576 5.666591 5.877156 4.175283 4.280406 3.843417 4.272956 3.436884 0.000000 3.650387 5.075964 4.383245 5.048859 5.013118 4.102621 3.785857 5.811510 4.798164 5.660215 6.022289 3.533523 3.840873 3.777343 4.353173 2.644275 1.003992 0.000000 5.133572 4.399584 4.731365 4.089699 3.796146 4.603335 4.457357 4.862133 5.442946 4.814882 4.997175 3.796769 3.684289 3.358299 3.843583 3.671579 1.012511 1.600962 0.000000 6.109309 5.611676 6.983071 2.759155 3.244317 2.685682 3.154370 3.317480 3.329941 6.294545 6.246085 6.055051 6.120965 3.860508 3.719311 4.067117 2.447498 2.976009 2.873925 0.000000 6.071644 5.527563 6.994908 3.159453 3.768468 1.704145 2.263952 3.755161 2.361177 6.314471 6.319111 6.100387 6.248538 3.646181 3.446051 3.628788 2.992089 3.239276 3.430262 0.987292 0.000000 6.988572 5.413133 7.391997 1.781476 2.336207 3.123682 3.669769 2.357358 3.813293 6.029878 5.835456 6.440525 6.364585 3.783427 3.461688 4.698054 2.983429 3.643731 3.122244 0.982970 1.588253 0.000000 4.869974 4.264275 4.687942 5.742609 5.979788 2.762825 1.825441 6.611572 3.354105 5.180275 5.677125 4.057160 4.503006 2.807166 3.285588 0.987332 4.009313 3.372023 4.164495 4.122796 3.511663 4.642770 0.000000 5.111400 4.574504 4.719272 6.615191 6.845660 3.453603 2.483589 7.487622 3.894539 5.477512 6.059974 4.254329 4.773065 3.401188 3.894629 1.569599 4.895976 4.182208 5.023164 5.072250 4.417379 5.581336 0.963286 0.000000 5.121152 5.250221 5.886038 3.527188 3.658544 3.399545 3.506895 4.194633 4.119018 5.861277 5.955080 4.964448 5.055669 3.680721 3.875099 3.526078 1.093396 1.734446 1.687459 1.355199 1.975057 1.984582 3.876423 4.826415 0.000000 8.975447 3.704642 7.681023 2.726472 2.920024 4.070480 4.321201 3.415121 4.830706 4.288119 3.826775 6.836602 6.514265 2.781977 1.833067 5.440907 5.390650 5.716473 4.981528 4.158235 3.954878 3.530612 4.876597 5.484380 4.753267 0.000000 9.480696 4.362542 8.343821 3.309320 3.686834 4.091468 4.406639 3.850409 4.713207 4.988924 4.553506 7.527358 7.267555 3.417564 2.444404 5.829634 6.108594 6.377419 5.793737 4.639654 4.278910 4.057812 5.144156 5.664394 5.390037 0.963386 0.000000 8.857925 4.307103 7.952269 1.777600 2.140912 3.927934 4.347413 2.440572 4.671530 4.858237 4.374019 7.055484 6.750457 3.179249 2.308363 5.579714 5.004894 5.469635 4.667343 3.534052 3.473551 2.773578 5.119417 5.843667 4.265548 0.985390 1.567812 0.000000 9.938679 3.039596 7.432883 4.105630 3.523662 6.473645 6.496477 4.728677 7.353907 2.907328 1.987071 6.687890 6.009185 3.607929 3.241496 6.728519 6.186373 6.581684 5.379757 5.894008 6.029487 5.217100 6.395986 6.931449 5.969827 2.813496 3.526489 3.206980 0.000000 10.895412 3.783509 8.253269 4.755998 4.191752 7.275720 7.329569 5.256414 8.123834 3.532683 2.574783 7.547671 6.835100 4.500892 4.081774 7.641241 7.133185 7.543913 6.322289 6.755765 6.880239 6.027683 7.265083 7.756911 6.895773 3.403463 3.953936 3.821824 0.963543 0.000000 9.729696 3.104236 7.570419 3.594240 3.231180 5.725751 5.810924 4.236523 6.566257 3.266073 2.490130 6.788334 6.223236 3.224787 2.634423 6.335704 6.004481 6.376949 5.311690 5.384646 5.408028 4.698917 5.901129 6.444902 5.639628 1.882458 2.550456 2.391359 0.977510 1.558774 0.000000 6.301967 3.183026 4.590194 3.993500 3.426677 5.194724 5.001762 4.840566 6.129841 3.410783 3.518081 3.675129 3.190083 2.729770 3.241582 4.223837 2.568782 2.947090 1.578788 3.783225 4.230634 3.678354 4.508479 5.266284 2.957792 4.344737 5.254435 4.220341 4.048957 4.973511 4.169050 0.000000 6.344593 2.432734 4.527390 3.813151 3.392039 4.552888 4.302937 4.741141 5.508165 2.886306 3.041555 3.607719 3.195750 1.743240 2.311552 3.670282 2.841495 3.038597 2.023809 3.621262 3.851411 3.513406 3.781685 4.510843 3.006183 3.622470 4.487771 3.654682 3.635782 4.592743 3.601065 0.988279 0.000000 6.420689 3.075348 4.031782 4.906378 4.265875 5.981364 5.676795 5.743961 6.916985 3.091024 3.348029 3.201914 2.529341 3.161728 3.812582 4.559237 3.226337 3.430880 2.246894 4.725139 5.134171 4.657405 4.905787 5.549105 3.803535 5.015123 5.924844 5.012808 4.274188 5.145422 4.563460 0.980540 1.564216 0.000000 8.822033 4.335053 7.312717 2.608640 1.615139 6.044180 6.250962 3.127061 6.925739 4.356278 3.776848 6.424926 5.826312 4.021965 3.815357 6.428563 4.466667 5.206781 3.715636 4.326073 4.898613 3.594189 6.411261 7.218637 4.267515 3.598016 4.506265 3.176953 2.848550 3.516457 3.031431 2.810826 3.019104 3.377875 0.000000 9.297461 3.857812 7.358378 3.066575 2.169672 6.295826 6.443425 3.617749 7.193852 3.780337 3.060162 6.513232 5.847393 3.876531 3.616894 6.618633 5.103494 5.732007 4.292661 4.935159 5.366870 4.196085 6.502581 7.230608 4.915431 3.288906 4.183781 3.104977 1.925518 2.557022 2.270897 3.128639 3.135211 3.542573 0.973765 0.000000 7.989490 3.891973 6.402334 3.021934 2.129002 5.821736 5.906123 3.687898 6.737558 3.929122 3.540949 5.515346 4.921686 3.583988 3.610336 5.765439 3.739936 4.431024 2.891632 4.074240 4.665578 3.526726 5.858199 6.662146 3.732642 3.871139 4.823391 3.539931 3.157330 3.953735 3.379420 1.884135 2.268829 2.439540 0.974440 1.543662 0.000000 6.963994 2.973184 3.265568 6.503668 5.845928 7.176631 6.690778 7.368333 8.100016 2.642533 3.239786 2.770528 1.798070 3.914515 4.698959 5.189053 4.768604 4.691405 3.885630 6.365810 6.629427 6.337997 5.515055 5.898467 5.429633 6.039904 6.885067 6.280557 4.823863 5.554277 5.275793 2.737751 2.901609 1.813815 4.789320 4.662899 3.960487 0.000000 7.539793 2.152633 3.802991 6.241236 5.597961 6.986331 6.518018 7.118631 7.920730 1.671989 2.317079 3.297624 2.388682 3.466453 4.169626 5.251423 5.132241 5.082962 4.228043 6.387937 6.567665 6.263073 5.398491 5.743903 5.625301 5.425446 6.234244 5.784142 4.061148 4.749555 4.525797 2.882289 2.775133 2.139977 4.555235 4.243942 3.851967 0.997553 0.000000 7.597302 3.732315 3.715678 7.211834 6.477190 8.125548 7.650709 8.034388 9.051744 3.209140 3.722567 3.405028 2.441333 4.838449 5.582884 6.107314 5.518764 5.483635 4.622188 7.199965 7.521062 7.138371 6.461466 6.817062 6.232518 6.819615 7.679506 7.050733 5.298150 5.929580 5.874970 3.477785 3.770396 2.509633 5.261708 5.110077 4.470697 0.962890 1.585249 0.000000 2.735686 5.081596 3.346201 6.308588 6.296120 4.435160 3.786741 7.143608 5.040297 5.719475 6.302555 2.680457 3.350733 3.978300 4.735068 1.744034 2.632629 1.640300 2.955290 4.244085 4.181211 4.947745 2.711849 3.230658 3.218087 6.378818 6.947400 6.355620 7.232862 8.185047 7.021795 3.841233 3.695516 4.037079 6.397345 6.748706 5.581117 4.726233 5.114751 5.532745 0.000000 1.755176 6.033209 3.666214 7.102036 7.123751 5.002988 4.365737 7.893047 5.476704 6.650466 7.258850 3.195057 3.983031 4.948031 5.685183 2.396557 3.192323 2.211677 3.673478 4.837740 4.779180 5.630787 3.376801 3.765127 3.808413 7.302515 7.842262 7.242228 8.206096 9.159940 7.995056 4.703001 4.642472 4.860606 7.258399 7.661062 6.431728 5.478943 5.952959 6.216542 0.981523 0.000000 0.963184 8.363429 5.250315 8.886091 8.915867 6.892622 6.396190 9.552969 7.175966 8.896440 9.493859 5.041311 5.827209 7.312633 8.011855 4.744796 4.693144 3.962150 5.345939 6.411417 6.497567 7.285230 5.687123 6.002479 5.367823 9.525369 10.074904 9.332771 10.401394 11.361138 10.234966 6.597791 6.771941 6.706114 9.060338 9.606426 8.219700 7.315086 7.972729 7.879235 3.364088 2.434159 0.000000 3.189872 4.643446 2.378008 6.626618 6.479611 5.121304 4.426311 7.504004 5.800467 5.175211 5.846918 1.697397 2.425461 3.909713 4.785715 2.200415 3.048743 2.172736 3.065938 4.872669 4.866110 5.454231 3.081613 3.470844 3.778072 6.514136 7.142000 6.581091 7.001397 7.934609 6.904184 3.611912 3.505348 3.570715 6.341236 6.608573 5.465612 3.945992 4.398710 4.710267 0.990490 1.592555 3.773852 0.000000 0.962859 8.382436 5.266045 9.312065 9.432457 6.648248 6.026867 10.029426 6.822179 9.006572 9.672009 5.163448 6.073460 7.300748 7.997257 4.356608 5.373318 4.487573 6.012518 6.785289 6.644376 7.692212 5.204622 5.301258 5.898307 9.583077 10.023394 9.505333 10.662208 11.613357 10.412165 7.149665 7.116978 7.266246 9.668497 10.114832 8.850745 7.720956 8.258651 8.361203 3.433684 2.475541 1.543387 3.882318 0.000000 6.058928 2.611062 4.709837 4.562107 4.619586 3.131166 2.568228 5.500959 4.004170 3.551465 3.913028 3.930735 3.957938 0.976840 1.581858 2.295240 3.785322 3.504918 3.522925 3.804902 3.408161 3.951140 1.841731 2.442266 3.613128 3.366495 3.828738 3.730398 4.560334 5.433189 4.110689 3.276817 2.354593 3.701531 4.855741 4.799544 4.372301 4.383825 4.049953 5.339172 3.424927 4.349343 6.752520 3.476304 6.585434 0.000000 H31O15(1+) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45;46/rA:46nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.7367,-.3275,-.6364;1.339,1.9676,1.5874;-3.047,3.3807,.6144;2.5856,-2.3261,-1.2258;2.7802,-1.4232,-1.6241;-.6157,-3.2591,1.495;-1.1395,-2.5356,1.8897;3.1112,-2.9726,-1.7104;-.9677,-4.089,1.8315;1.7798,2.7745,1.2691;2.6506,2.4557,.9764;-2.4698,2.6767,.3049;-1.6269,3.0957,.0318;.6508,.1905,1.2973;1.3733,-.4561,1.4252;-2.4071,-.539,1.4704;-1.4026,-.7623,-1.8088;-2.1291,-.5212,-1.1592;-.7371,-.0011,-1.7548;-.1401,-2.734,-1.0956;-.3101,-3.0094,-.1628;.8327,-2.6431,-1.2032;-1.7991,-.8583,2.1797;-2.1765,-.5836,3.0223;-.8682,-1.6635,-1.4962;2.9707,-1.3449,1.2886;3.2259,-1.9442,1.9984;2.9145,-1.8801,.4632;4.0338,1.1253,.4615;4.9519,1.348,.6507;3.8508,.275,.9077;.3871,1.0071,-1.2941;.5092,.7493,-.3479;.223,1.9737,-1.2783;2.9685,.1388,-1.9893;3.4895,.603,-1.3101;2.0914,.5625,-1.9632;.0107,3.6031,-.5104;.7288,3.4671,.1685;.1568,4.4579,-.9288;-3.1102,.0913,.004;-4.0615,-.0486,-.1928;-6.0684,-.3332,-1.5406;-2.9565,1.0675,.0706;-6.4824,-.5514,-.0699;-.1551,-.1699,1.7156; 0.3383362 0.2228400 0.1765309 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 864 RedAO= T EigKep= 6.61D-05 NBF= 864 NBsUse= 864 1.00D-06 EigRej= -1.00D+00 NBFU= 864 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 912 912 912 912 912 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1147.56806593963 -1147.59805820736 -0.029992267734 -1147.59819887230 -0.000140664934 -1147.59827281322 -0.000073940921 -1147.59828871948 -0.000015906259 -1147.59828912506 -0.000000405582 -1147.59828920077 -0.000000075707 -1147.59828920643 -0.000000005666 -1147.59828920648 -0.000000000043 -1147.59828921 9 1.143750386972e+03 -5.610761668969e+03 1.862462586101e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11322783408 LenY= 11321872338 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT4180.100S Tue Nov 5 13:22:00 2024 -19.28028 -19.26238 -19.25853 -19.25663 -19.24994 -19.24725 -19.24579 -19.24462 -19.24319 -19.24169 -19.24010 -19.23820 -19.23728 -19.22048 -19.21875 -1.18728 -1.15355 -1.15052 -1.14835 -1.14234 -1.13803 -1.13517 -1.13331 -1.13064 -1.12584 -1.12218 -1.11858 -1.11747 -1.10438 -1.10331 -0.69074 -0.68278 -0.67659 -0.67470 -0.67100 -0.66601 -0.66309 -0.66089 -0.65950 -0.65447 -0.65263 -0.65174 -0.65095 -0.65003 -0.63087 -0.62551 -0.57075 -0.56432 -0.55384 -0.54628 -0.54161 -0.53063 -0.52536 -0.51806 -0.51607 -0.50983 -0.50587 -0.49716 -0.49153 -0.48875 -0.47625 -0.45817 -0.45497 -0.45474 -0.45404 -0.44787 -0.44617 -0.44282 -0.44214 -0.44095 -0.43854 -0.43721 -0.43297 -0.41955 -0.41661 -0.11914 -0.10112 -0.08673 -0.08465 -0.06858 -0.05920 -0.05633 -0.04798 -0.04163 -0.02810 -0.02100 -0.01347 -0.00368 -0.00035 0.00060 0.00650 0.01017 0.01315 0.01721 0.02261 0.02453 0.03378 0.03695 0.04124 0.04256 0.05173 0.05647 0.05854 0.06128 0.06741 0.06926 0.07277 0.07503 0.07871 0.08228 0.08331 0.09092 0.09605 0.09969 0.10572 0.10943 0.10962 0.11383 0.11768 0.11926 0.12005 0.12742 0.13103 0.13479 0.13863 0.14006 0.14272 0.14692 0.14792 0.15278 0.15645 0.15824 0.16033 0.16419 0.16811 0.16993 0.17163 0.17476 0.17728 0.18154 0.19012 0.19101 0.19442 0.20112 0.20926 0.20953 0.22087 0.22840 0.23468 0.24502 0.25089 0.25675 0.26166 0.27112 0.29354 0.29911 0.30540 0.31857 0.32221 0.33306 0.33400 0.34238 0.34500 0.35269 0.35905 0.36403 0.37472 0.38030 0.38455 0.38740 0.39358 0.40125 0.40316 0.40695 0.41372 0.41917 0.42501 0.42749 0.43641 0.43877 0.44553 0.44881 0.44997 0.45783 0.46259 0.46477 0.47244 0.47541 0.48175 0.49021 0.49852 0.50180 0.50381 0.51282 0.51428 0.52028 0.52659 0.53432 0.54512 0.54712 0.55576 0.55745 0.55944 0.56474 0.57009 0.58332 0.58800 0.59995 0.60263 0.61460 0.61578 0.62323 0.62873 0.63206 0.63858 0.65176 0.65844 0.66503 0.66600 0.67166 0.67492 0.68921 0.69491 0.69931 0.70840 0.71134 0.71780 0.72307 0.72578 0.73523 0.73897 0.74621 0.75129 0.75610 0.75835 0.76643 0.77040 0.77225 0.77690 0.78221 0.79109 0.79651 0.79689 0.80303 0.80918 0.81629 0.81675 0.82384 0.82515 0.83360 0.83568 0.83870 0.84196 0.84385 0.85121 0.85639 0.85764 0.86355 0.86608 0.86725 0.87603 0.87726 0.88555 0.89271 0.89331 0.89726 0.89937 0.90539 0.91040 0.91345 0.92239 0.92428 0.93454 0.93488 0.93779 0.95185 0.95468 0.95806 0.96568 0.97136 0.97506 0.98021 0.98456 0.98756 0.99403 0.99831 1.00317 1.00565 1.00700 1.01442 1.02046 1.02391 1.03217 1.03374 1.03767 1.03957 1.04338 1.04888 1.05173 1.05829 1.06028 1.06880 1.07775 1.08135 1.09256 1.09498 1.09525 1.10458 1.10952 1.11372 1.11779 1.13216 1.13301 1.14063 1.14556 1.15089 1.15911 1.16414 1.16551 1.17268 1.17970 1.18782 1.19429 1.19914 1.20886 1.21473 1.21850 1.22836 1.23034 1.23754 1.24447 1.25359 1.25837 1.26247 1.27041 1.27945 1.28324 1.28844 1.29537 1.31106 1.31449 1.31798 1.32478 1.33449 1.34115 1.34698 1.35338 1.36560 1.36957 1.38500 1.39451 1.39693 1.40262 1.40675 1.41086 1.41372 1.41725 1.42573 1.43685 1.44192 1.44907 1.46071 1.46484 1.47342 1.47831 1.48145 1.49302 1.50028 1.50945 1.51098 1.51926 1.53639 1.54789 1.54906 1.56291 1.57239 1.58342 1.58826 1.59300 1.60819 1.62038 1.63090 1.64692 1.66317 1.67645 1.67926 1.69762 1.71049 1.72801 1.74996 1.76748 1.78596 1.79427 1.79648 1.81970 1.83329 1.84700 1.86159 1.87679 1.89346 1.90553 1.92405 1.93601 1.96764 1.97717 1.98359 1.99022 2.01466 2.02320 2.05878 2.08836 2.08975 2.10192 2.11018 2.11838 2.12679 2.14158 2.14499 2.15570 2.17583 2.20094 2.21950 2.24090 2.24894 2.27572 2.56730 2.59821 2.61146 2.62345 2.62993 2.63251 2.64244 2.65457 2.66164 2.67252 2.67627 2.68368 2.69523 2.70703 2.71977 2.73467 2.74816 2.76045 2.77917 2.78517 2.79937 2.80716 2.81723 2.85465 2.87447 2.89714 2.91265 2.92390 2.92947 2.93307 2.95623 2.97188 3.00619 3.03745 3.04473 3.05871 3.06666 3.07650 3.08290 3.09756 3.10393 3.11749 3.12069 3.12710 3.14538 3.14665 3.15581 3.16267 3.16517 3.16994 3.17310 3.18336 3.19128 3.19652 3.20917 3.21831 3.22533 3.22790 3.23146 3.23626 3.25105 3.26216 3.26443 3.27160 3.27631 3.28376 3.28642 3.29072 3.29579 3.30168 3.30586 3.31241 3.32245 3.32619 3.33675 3.33922 3.34836 3.35525 3.36242 3.36431 3.37088 3.37613 3.38489 3.38807 3.39643 3.40032 3.40476 3.40728 3.41373 3.41780 3.42587 3.43320 3.44139 3.44527 3.45028 3.45697 3.46163 3.46991 3.48706 3.49156 3.50925 3.51876 3.53603 3.56742 3.57428 3.58378 3.61391 3.67709 3.68947 3.69648 3.71901 3.72498 3.74410 3.75505 3.77994 3.78964 3.79859 3.83728 3.84897 3.86065 3.87005 3.87613 3.88309 3.89191 3.90652 3.91248 3.91609 3.92526 3.93937 3.95557 3.96384 3.98155 3.99248 4.00258 4.01699 4.02432 4.03444 4.04324 4.04396 4.06362 4.07773 4.08447 4.09247 4.09679 4.10432 4.11344 4.12635 4.14247 4.16174 4.16598 4.17931 4.19912 4.21665 4.22402 4.23690 4.24220 4.24954 4.26027 4.26712 4.27801 4.29127 4.29503 4.29954 4.31195 4.31903 4.32318 4.34534 4.38903 4.44373 4.45494 4.51517 4.52470 4.53041 4.53167 4.53487 4.53712 4.55335 4.59656 4.61592 4.63006 4.64019 4.65703 4.66137 4.68454 4.69482 4.71542 4.72673 4.73461 4.74241 4.75019 4.76109 4.76225 4.77446 4.77658 4.78592 4.79802 4.81440 4.82040 4.82847 4.85787 4.92632 4.95206 4.96814 4.98053 5.00282 5.00551 5.01203 5.02323 5.02764 5.03700 5.04983 5.06367 5.07106 5.07359 5.09026 5.09460 5.10807 5.11243 5.11323 5.11984 5.12302 5.13118 5.13541 5.13934 5.15066 5.15618 5.15724 5.16204 5.16839 5.17371 5.18078 5.18882 5.19258 5.20083 5.20585 5.20914 5.21175 5.21593 5.22527 5.23783 5.24593 5.24964 5.25873 5.26133 5.26409 5.27428 5.27744 5.28556 5.29228 5.29412 5.30839 5.31719 5.32610 5.33307 5.33670 5.33903 5.34192 5.35458 5.35748 5.36368 5.37496 5.38300 5.39371 5.39685 5.40137 5.40910 5.41448 5.41868 5.42795 5.43255 5.43562 5.44150 5.45219 5.45491 5.45741 5.45755 5.46143 5.46701 5.47193 5.47323 5.48222 5.48320 5.48598 5.49264 5.50150 5.50967 5.51368 5.51539 5.52974 5.54918 5.56028 5.56678 5.56977 5.58778 5.60046 5.61303 5.62307 5.63221 5.63371 5.64377 5.65037 5.65314 5.66371 5.67149 5.68061 5.68484 5.68970 5.70574 5.71134 5.72842 5.74176 5.75387 5.76344 5.78806 5.80852 5.81927 5.83446 5.85885 6.55445 6.71672 6.78472 6.80814 6.82129 6.84413 6.85506 6.85952 6.86821 6.86952 6.88284 6.88609 6.89396 6.89590 6.90588 6.90809 6.91622 6.91957 6.92636 6.93445 6.93749 6.95374 6.95697 6.96448 6.98995 7.00071 7.00512 7.01149 7.02743 7.04490 7.07939 14.20326 14.21533 14.23944 14.24416 14.25049 14.25807 14.26055 14.26198 14.26331 14.26746 14.27521 14.27934 14.28712 14.29498 14.29649 14.29862 14.30250 14.31127 14.31155 14.31841 14.32174 14.32406 14.32599 14.33067 14.33490 14.34240 14.34387 14.34637 14.35098 14.35665 14.35920 14.36621 14.37063 14.37458 14.38084 14.38400 14.38609 14.39262 14.39949 14.40414 14.41654 14.42462 14.44475 14.44919 14.45756 14.54549 14.54857 14.56019 14.56222 14.56976 14.57230 14.57520 14.57648 14.58278 14.58323 14.59124 14.59240 14.60290 14.63165 14.68717 14.82877 14.90647 14.90985 14.92231 14.92706 14.92923 14.93335 14.94129 14.94997 14.95897 14.96068 14.96996 14.98677 14.99139 15.00333 49.85228 49.88603 49.89170 49.90077 49.90623 49.91585 49.92455 49.93958 49.94194 49.95245 49.96189 49.96858 49.97414 49.99115 50.01872 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H H -0.505949 0.306215 0.245498 -0.801624 0.511250 -0.657944 0.386919 0.278681 0.260556 -0.629481 0.327263 -0.659673 0.415774 -0.741807 0.357182 0.448045 -0.798671 0.493417 0.513290 -0.758066 0.433383 0.409055 -0.713187 0.265104 0.627280 -0.652692 0.275990 0.396153 -0.628088 0.280398 0.352026 -0.908880 0.527143 0.406251 -0.656870 0.321380 0.343693 -0.740664 0.463249 0.269107 -0.931500 0.494294 0.248449 0.475746 0.249930 0.402375 1.00000 -4.1579 -1.2239 2.7877 5.1534 -6.8643 -60.2311 -85.2868 -6.3565 2.5691 -10.9244 43.9298 -9.4371 -34.4927 -6.3565 2.5691 -10.9244 -222.5313 26.4016 44.1224 4.6120 -32.8753 12.6443 -33.2764 -30.3618 -1.1540 5.4056 -865.6271 -1584.8426 -978.3548 162.0769 355.6689 -152.1242 -223.6202 -3.3212 -66.4225 -810.1389 -653.4127 -497.1395 46.8811 -121.2736 -51.6987 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GANDULLAS LAMSABHI 05-Nov-2024 0 Single Point 14H2OH3O CONF58 gas 1 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.5982892 RMSD=7.071e-09 Dipole=-0.9267327,-1.7069841,0.5815055 Quadrupole=11.903667,8.5572323,-20.4608993,16.9369107,18.232632,6.5323342 PG=C01 [X(H31O15)] 0 -3.4642694708 -4.0750895852 -2.2347674416 0 -0.8320829688 1.9176951589 1.9408076251 0 -4.5982577054 0.0574499593 -0.188897305 0 3.612296994 0.4596588808 -0.5140300085 0 3.1541857573 1.3013878096 -0.8194266216 0 1.6912665494 -3.0011462424 1.1753941039 0 0.7481401239 -2.9556731234 1.4248837836 0 4.5161667339 0.4880071601 -0.8473108145 0 2.0027253119 -3.8884785892 1.3790947743 0 -1.071078611 2.846907032 1.7789063717 0 -0.2103300625 3.2970756898 1.7346159501 0 -3.648913175 0.0435580932 -0.3411364341 0 -3.3469623655 0.9759126189 -0.3563849947 0 0.0555761554 0.2858728249 1.4257209274 0 0.9827985514 0.3158533503 1.7353272446 0 -1.4717853351 -2.374205258 0.7158065242 0 -0.0682018231 -1.1072315876 -2.1541942858 0 -0.8393215866 -1.5893342087 -1.7288113203 0 -0.1901847372 -0.1355705781 -1.8969526111 0 2.0786937358 -1.7400322078 -1.1639177405 0 2.0028754854 -2.2524582788 -0.3234314267 0 2.6765342049 -0.9789517805 -0.9919469566 0 -0.9605518363 -2.3275258125 1.5591842919 0 -1.5584768636 -2.5868632297 2.2685143872 0 0.8871402385 -1.4231198045 -1.726350142 0 2.7127525134 0.8451173886 2.0307474695 0 3.1936611136 0.4549062272 2.7687002485 0 3.2097049629 0.6212598612 1.2098217481 0 1.7653298649 3.4583920068 1.59606686 0 2.178990376 4.2064502112 2.0407115291 0 2.1844676132 2.650211553 1.9520073778 0 -0.2590836431 1.2340500468 -1.1146719373 0 -0.1564310897 0.933425674 -0.1788395888 0 -1.0740339782 1.7792681481 -1.1218809003 0 2.2064666525 2.5833113543 -1.0786053721 0 2.0950777489 3.11334763 -0.2693631966 0 1.3119143789 2.2594358969 -1.2893538869 0 -2.5351943063 2.5795832879 -0.4046426503 0 -2.0790424937 2.8349525701 0.4449597981 0 -2.9869553585 3.3592263584 -0.7440927915 0 -2.1395004642 -2.1067116487 -0.8729848797 0 -2.6341020246 -2.8193669919 -1.3322008639 0 -3.5215371921 -4.1098148593 -3.1956206731 0 -2.7596187717 -1.3455510252 -0.7419939597 0 -3.8951831705 -4.8708935457 -1.9059727662 0 -0.2899300385 -0.612546493 1.5921083878