Gaussian 16 GINC-GALAPAGAR LAMSABHI Optimization 14H2O CONF2 water EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2095,-1.0977,-1.035;1.6671,-1.8845,1.4087;1.9312,-1.1215,-1.6697;-2.2358,-2.2738,-1.414;-2.3375,-3.1506,-1.7972;.9669,.8087,2.7056;1.1055,.8343,3.6578;-2.3062,-2.3931,-.4368;1.851,.9965,2.2975;.7284,-1.7095,1.6052;.7417,-.8382,2.0522;2.8883,-.9553,-1.7633;2.9529,.0118,-1.6699;3.3453,1.1322,1.5167;3.5187,.1864,1.3567;3.1392,1.4811,.6283;-3.6917,.1923,-1.4739;-3.2881,-.6769,-1.6323;-3.5272,.3424,-.522;3.4291,-1.6053,.8184;3.3062,-1.428,-.1442;4.1648,-2.222,.8817;-3.0449,.353,1.2305;-3.7379,.6439,1.8314;-2.3062,1.0139,1.3258;-2.1134,1.9817,-2.7661;-2.7057,1.3354,-2.3133;-2.476,2.8429,-2.5366;-1.0718,2.1052,1.3655;-.383,1.7133,1.9366;-.7098,1.991,.4585;-2.2449,-2.289,1.2989;-1.2908,-2.2564,1.4522;-2.5333,-1.3559,1.3763;2.6806,1.8131,-1.1186;3.0159,2.5723,-1.605;1.7012,1.8564,-1.187;-.022,1.5902,-1.0984;.0043,.6042,-1.0668;-.6097,-1.5665,-1.2978;-.7189,1.8005,-1.7639;.338,-1.3118,-.0847; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520731/Gau-213955.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520731/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2O CONF2 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 29 29 31 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 41 30 31 38 33 34 36 37 38 39 41 1.8351 1.7146 0.9798 0.9825 0.975 1.879 0.9759 0.9622 0.9869 1.9248 1.7771 0.9625 0.9917 1.786 1.7978 1.74 1.6914 0.9794 1.7794 0.9737 1.7376 1.9033 0.9748 0.9765 1.873 1.8363 0.9714 0.9776 1.7272 1.8177 0.9865 0.9621 0.9622 0.9957 1.7898 1.6481 0.9867 0.9622 1.7268 0.9768 0.9832 1.7487 0.9669 0.9797 0.962 0.9828 1.7459 0.9868 0.9863 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 11 3 3 13 12 9 9 15 18 18 19 4 2 2 2 15 15 21 19 19 19 24 24 25 27 27 28 25 25 30 8 8 33 13 13 13 16 16 36 31 31 31 37 37 39 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 13 14 14 14 17 17 17 18 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 42 42 13 21 21 35 15 16 16 19 27 27 17 15 21 22 21 22 22 24 25 34 25 34 34 28 41 41 30 31 31 33 34 34 16 36 37 36 37 37 37 39 41 39 41 41 96.8188 133.2721 102.0646 111.7079 104.4725 105.3393 159.967 161.9962 106.0639 130.7653 119.0371 99.9959 92.7853 100.2231 105.8872 113.8654 121.1932 97.8411 113.4553 102.2857 103.8043 93.4368 103.7491 103.0085 95.7532 99.4907 163.3724 98.9226 105.1995 103.5919 103.0779 106.0107 105.9995 161.9938 95.5513 102.5016 126.9503 96.5729 123.8926 105.9462 114.3743 107.0368 98.5555 105.8972 116.3347 114.4506 104.5153 98.6145 105.0615 106.0574 100.1724 103.4835 101.2371 97.2028 104.2308 93.9433 123.4114 99.449 122.4496 108.8473 106.1016 113.4815 102.1785 105.8942 97.3379 129.1007 104.6865 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 1 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 1 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 42 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 42 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 10 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 10 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 8 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 8 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 169.8466 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 174.4988 171.9515 169.8136 171.6031 171.7467 174.3806 177.293 178.0225 169.1603 173.3944 173.494 166.7744 179.4104 167.3606 171.7306 184.5075 173.3232 184.1724 177.2791 168.9843 186.8907 185.9251 186.9873 176.8774 181.2442 182.1646 178.002 186.6046 180.789 174.6292 184.3372 185.7685 177.3881 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 39 40 42 3 3 3 39 39 39 42 42 42 3 3 39 39 40 40 3 3 3 40 40 40 42 42 42 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 7 7 9 9 30 30 7 7 11 11 30 30 7 7 9 9 11 11 3 21 3 3 3 13 13 13 12 12 12 9 9 9 16 16 16 9 9 9 15 15 15 19 27 18 18 18 27 27 27 18 18 19 19 19 19 24 24 34 34 19 19 24 24 25 25 27 27 27 28 28 28 25 25 25 30 30 30 13 13 13 16 16 16 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 3 3 3 4 4 4 4 4 4 4 4 4 10 10 10 10 10 10 38 38 38 38 38 38 38 38 38 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 13 13 20 20 20 20 20 20 35 35 35 20 20 20 20 20 20 35 35 35 35 35 35 18 18 23 23 23 23 23 23 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 12 12 12 5 8 18 5 8 18 5 8 18 2 11 2 11 2 11 31 37 41 31 37 41 31 37 41 11 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 2 42 2 42 2 42 15 16 15 16 15 16 25 31 25 31 25 31 35 35 2 15 22 2 15 22 16 36 37 2 21 22 2 21 22 13 36 37 13 36 37 4 4 24 25 34 24 25 34 28 41 28 41 30 31 30 31 30 31 8 33 8 33 8 33 31 37 39 31 37 39 37 39 41 37 39 41 31 39 41 31 39 41 31 39 41 57.1724 -174.205 -49.2633 24.7947 133.1664 -126.9099 153.346 -98.2823 1.6414 -97.9996 10.3721 110.2958 -7.4741 97.1818 -107.0172 -2.3614 133.651 -121.6931 -132.9966 -17.6199 115.3042 85.0704 -159.5528 -26.6288 -29.1748 86.2019 -140.874 -47.2635 57.8028 36.3851 -61.6251 177.1158 -48.9443 52.2048 98.6884 -156.1661 -121.4161 -16.2705 -21.5135 83.632 156.9624 35.4336 -59.2657 -89.7425 174.8546 20.4824 -74.9205 135.9283 40.5254 97.7518 -156.2455 -18.7236 87.2791 -123.934 -17.9313 -90.274 167.2518 140.0893 37.6152 37.7267 -64.7475 37.0347 -61.1829 -4.2595 -100.343 131.1967 99.3987 3.3151 -125.1451 61.1723 -165.2148 -48.6887 7.9443 110.6244 -135.5145 -97.8938 4.7863 118.6474 -100.8229 125.9504 -0.707 0.2781 -132.9486 100.394 -15.4102 95.7542 -134.5125 106.3768 -11.3382 116.3877 -2.723 -120.438 -175.0368 -67.3171 -66.3162 41.4035 -136.8256 -29.8021 101.0961 -151.8804 -30.1114 76.9121 11.9566 113.9424 133.6867 -124.3275 -99.6292 2.3567 -58.2161 158.8788 46.88 48.4238 -94.4814 153.5198 -149.497 -47.0347 61.8188 -41.4129 61.0495 169.903 123.2202 18.6625 -94.8624 28.2636 -76.2942 170.181 -107.1687 148.2735 34.7487 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 476 A 728 490 1299.5466682947 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.29D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 25 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00054 0.00196 0.00322 0.00347 0.00411 0.00414 0.00436 0.00471 0.00520 0.00529 0.00644 0.00710 0.00763 0.00872 0.01021 0.01089 0.01240 0.01332 0.01479 0.01681 0.01856 0.01928 0.02017 0.02108 0.02339 0.02617 0.02714 0.02899 0.03011 0.03163 0.03238 0.03399 0.03537 0.03599 0.03704 0.03848 0.04047 0.04126 0.04254 0.04306 0.04364 0.04517 0.04561 0.04680 0.04706 0.04786 0.04908 0.05034 0.05109 0.05172 0.05286 0.05351 0.05387 0.05536 0.05662 0.05694 0.05773 0.05820 0.05922 0.05939 0.05996 0.06112 0.06240 0.06292 0.06333 0.06498 0.06670 0.06693 0.06717 0.06803 0.06913 0.07009 0.07092 0.07148 0.07321 0.07411 0.07537 0.07572 0.07848 0.07948 0.08330 0.08400 0.08827 0.08903 0.09331 0.09864 0.10586 0.10731 0.11814 0.12841 0.14823 0.15405 0.37589 0.38822 0.39505 0.42895 0.43702 0.45131 0.46695 0.47225 0.47477 0.47941 0.48391 0.48437 0.48771 0.49459 0.49732 0.50628 0.50965 0.51262 0.51384 0.51926 0.53457 0.54523 0.54980 0.55000 0.55012 0.55019 0.55056 0.63649 -2.36631814e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 3.44498 3.30986 1.84925 1.85592 1.84941 3.50381 1.85011 1.82328 1.86639 3.51834 3.45502 1.82356 1.87106 3.43647 3.39631 3.34384 3.27502 1.85270 3.43975 1.84785 3.34378 3.53694 1.84815 1.85031 3.52225 3.46275 1.84655 1.85261 3.31869 3.43464 1.86609 1.82332 1.82359 1.87565 3.42760 3.22722 1.86626 1.82340 3.38338 1.85141 1.85978 3.35591 1.84090 1.85398 1.82326 1.86016 3.34414 1.86376 1.85811 1.60868 2.37891 1.79897 1.95017 1.82156 1.83879 2.84020 2.85723 1.85954 2.24875 2.16875 1.74424 1.58684 1.70454 1.85712 2.10397 2.14096 1.67296 1.93977 1.69438 1.81974 1.61221 1.89891 1.80510 1.66517 1.77997 2.89329 1.74544 1.88002 1.81843 1.80667 1.89936 1.88693 2.88641 1.59914 1.83585 2.25638 1.64880 2.16073 1.85853 2.09615 1.87108 1.65093 1.85398 2.06397 1.91484 1.83741 1.71188 1.95340 1.87056 1.79001 1.82045 1.81500 1.72151 1.82652 1.55608 2.17190 1.71857 2.16532 1.94209 1.85681 1.90551 1.77598 1.84057 1.72848 2.30983 1.83057 2.94730 2.98659 2.98206 3.01059 3.03282 3.00199 3.01659 3.05297 3.06945 3.02151 3.08125 3.05259 2.87019 3.07712 2.90084 2.96419 3.23366 2.98293 3.20502 3.09997 2.97173 3.22299 3.20024 3.32792 3.10028 3.13113 3.15692 3.10454 3.23134 3.16731 3.07683 3.25311 3.21202 3.08961 1.15919 -2.93925 -0.67849 0.43808 2.32477 -2.22000 2.63451 -1.76199 -0.02357 -1.76326 0.12342 1.86184 -0.21733 1.61893 -1.87100 -0.03475 2.32539 -2.12154 -2.25830 -0.32121 2.09581 1.53298 -2.81312 -0.39609 -0.44886 1.48823 -2.37794 -0.96621 0.95504 0.70897 -0.95042 3.11608 -0.95132 0.85878 1.85513 -2.57635 -2.02900 -0.17729 -0.33186 1.51984 2.56722 0.45862 -1.15220 -1.57997 3.04242 0.36557 -1.29523 2.31551 0.65471 1.80343 -2.60895 -0.34229 1.52851 -2.04468 -0.17388 -1.56630 2.85828 2.47287 0.61427 0.76017 -1.09843 0.50848 -1.21259 -0.17515 -1.77156 2.29297 1.64114 0.04472 -2.17393 1.19544 -2.78390 -0.74864 0.19822 2.03370 -2.28237 -1.70599 0.12949 2.09661 -1.84066 2.14898 -0.13373 -0.03132 -2.32486 1.67562 -0.20323 1.80073 -2.33295 1.80484 -0.13721 1.97633 -0.16907 -2.11112 3.11361 -1.15709 -1.23089 0.78159 -2.34806 -0.44909 1.66924 -2.71497 -0.60529 1.29368 0.12042 1.96513 2.33894 -2.09954 -1.78508 0.05962 -0.97644 2.86130 0.84583 0.92200 -1.52345 2.74427 -2.67196 -0.86516 1.03503 -0.74013 1.06667 2.96686 2.10363 0.29256 -1.75263 0.54130 -1.26977 2.96822 -1.90775 2.56436 0.51917 0.00002 0.00001 -0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00002 0.00001 0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -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 0.00001 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 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 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 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00015 -0.00004 0.00001 -0.00001 -0.00004 0.00020 -0.00001 -0.00001 0.00000 -0.00049 -0.00029 -0.00001 0.00003 -0.00021 -0.00039 -0.00035 -0.00049 0.00000 -0.00012 0.00004 -0.00011 -0.00048 -0.00004 -0.00001 0.00033 -0.00020 0.00001 -0.00001 -0.00043 -0.00009 -0.00004 -0.00002 -0.00000 -0.00000 -0.00038 0.00006 0.00001 -0.00001 -0.00078 0.00001 0.00004 -0.00072 -0.00002 0.00001 -0.00001 0.00005 -0.00071 -0.00001 0.00002 0.00013 0.00005 0.00007 -0.00033 0.00006 0.00003 -0.00004 0.00005 0.00001 -0.00048 0.00028 0.00010 0.00001 0.00019 -0.00004 -0.00017 -0.00002 0.00007 0.00003 0.00016 -0.00006 0.00007 0.00004 -0.00025 0.00016 0.00016 0.00005 0.00024 0.00005 -0.00002 -0.00003 0.00002 0.00002 0.00005 0.00036 0.00001 -0.00018 -0.00023 -0.00007 0.00009 0.00018 -0.00007 0.00017 -0.00015 0.00006 -0.00020 -0.00005 0.00042 -0.00009 0.00016 0.00018 0.00001 0.00022 0.00032 -0.00002 -0.00013 -0.00010 0.00011 0.00011 0.00004 -0.00003 -0.00027 0.00010 0.00011 -0.00015 0.00015 0.00006 -0.00007 0.00013 -0.00018 -0.00081 0.00001 -0.00023 -0.00022 0.00032 -0.00022 -0.00024 -0.00005 -0.00026 0.00029 -0.00004 -0.00005 0.00001 0.00019 -0.00016 -0.00027 0.00008 -0.00016 -0.00023 -0.00010 -0.00003 0.00009 0.00032 -0.00020 -0.00053 0.00035 -0.00002 -0.00010 0.00019 0.00008 -0.00005 0.00009 -0.00023 -0.00001 -0.00017 -0.00015 -0.00007 -0.00021 -0.00019 -0.00010 -0.00025 -0.00023 -0.00014 -0.00004 -0.00010 -0.00018 -0.00024 0.00010 0.00004 0.00042 0.00011 0.00021 0.00046 0.00015 0.00026 0.00052 0.00021 0.00031 0.00030 0.00035 -0.00044 -0.00030 -0.00028 -0.00020 -0.00003 0.00035 0.00042 -0.00016 -0.00009 0.00002 0.00009 0.00008 0.00029 0.00023 0.00005 0.00002 -0.00001 -0.00004 0.00004 0.00001 -0.00037 -0.00027 -0.00028 -0.00018 -0.00054 -0.00044 -0.00011 -0.00029 -0.00017 -0.00035 -0.00027 -0.00045 0.00027 0.00012 0.00009 -0.00025 -0.00013 -0.00014 -0.00048 -0.00036 -0.00001 -0.00003 -0.00003 0.00018 0.00019 0.00019 0.00018 0.00019 0.00019 0.00010 0.00024 0.00020 0.00039 0.00052 0.00049 -0.00032 -0.00030 -0.00038 -0.00024 -0.00005 -0.00034 -0.00019 -0.00001 0.00032 0.00029 0.00025 0.00022 -0.00025 -0.00007 -0.00030 -0.00013 -0.00006 0.00012 0.00011 0.00036 0.00043 0.00069 0.00020 0.00046 -0.00044 -0.00031 -0.00029 -0.00032 -0.00019 -0.00017 0.00016 -0.00004 0.00002 0.00033 0.00013 0.00019 -0.00007 -0.00012 -0.00017 -0.00000 -0.00005 -0.00010 -0.00014 -0.00019 -0.00024 0.00035 0.00018 -0.00002 -0.00002 -0.00001 0.00030 -0.00002 0.00001 0.00003 0.00017 0.00029 0.00001 0.00001 0.00013 0.00030 -0.00014 0.00008 0.00000 0.00020 0.00001 0.00004 0.00019 0.00002 0.00002 -0.00022 -0.00018 0.00000 -0.00002 0.00013 0.00038 0.00001 0.00001 0.00000 0.00003 0.00008 -0.00018 0.00000 0.00001 0.00018 -0.00001 -0.00001 0.00033 0.00002 0.00001 0.00001 -0.00000 0.00018 -0.00001 0.00000 0.00010 0.00006 0.00001 -0.00015 0.00002 -0.00003 -0.00022 -0.00003 -0.00002 -0.00040 0.00009 0.00003 0.00016 0.00028 -0.00006 -0.00023 -0.00002 0.00002 0.00011 0.00020 -0.00004 0.00010 -0.00007 -0.00006 -0.00006 0.00002 -0.00006 -0.00031 -0.00012 0.00000 -0.00004 -0.00018 -0.00007 -0.00005 0.00018 -0.00024 -0.00008 0.00007 0.00010 -0.00003 -0.00005 0.00011 0.00011 0.00001 -0.00005 -0.00012 -0.00001 -0.00006 -0.00027 -0.00015 -0.00006 -0.00004 0.00002 -0.00036 0.00003 -0.00004 -0.00016 0.00015 0.00002 0.00007 -0.00001 0.00015 0.00012 -0.00012 -0.00009 0.00002 -0.00004 0.00003 0.00018 -0.00001 0.00020 0.00017 -0.00014 0.00032 0.00007 0.00010 -0.00013 -0.00014 0.00034 -0.00010 0.00010 -0.00025 0.00012 0.00014 0.00019 -0.00004 0.00002 -0.00006 -0.00009 0.00014 -0.00006 -0.00022 -0.00008 0.00003 0.00013 -0.00004 -0.00004 0.00004 0.00018 -0.00008 0.00010 -0.00018 -0.00025 -0.00023 -0.00010 -0.00004 -0.00002 0.00013 0.00018 0.00020 0.00002 0.00008 0.00010 0.00002 -0.00000 -0.00006 -0.00009 0.00010 0.00008 -0.00004 0.00014 0.00007 -0.00008 0.00010 0.00003 0.00001 0.00018 0.00011 0.00041 0.00036 -0.00040 -0.00051 -0.00010 -0.00001 -0.00002 0.00024 0.00020 -0.00020 -0.00025 0.00007 0.00003 0.00013 0.00040 0.00018 0.00024 0.00016 0.00011 0.00003 0.00025 0.00017 -0.00027 -0.00038 -0.00003 -0.00014 -0.00031 -0.00041 -0.00002 0.00013 -0.00006 0.00010 -0.00016 -0.00000 0.00039 0.00046 0.00023 0.00004 -0.00003 0.00018 -0.00001 -0.00009 -0.00026 -0.00037 -0.00034 -0.00002 -0.00025 -0.00025 0.00015 -0.00008 -0.00009 0.00008 0.00030 0.00024 -0.00024 -0.00002 -0.00007 -0.00033 -0.00050 0.00014 0.00001 0.00010 0.00041 0.00029 0.00038 0.00025 -0.00004 0.00011 -0.00018 -0.00013 -0.00023 -0.00007 -0.00017 -0.00000 -0.00009 0.00004 0.00002 0.00004 0.00002 -0.00014 -0.00016 0.00015 0.00009 0.00027 0.00008 0.00002 0.00019 0.00015 0.00011 0.00009 -0.00006 -0.00010 -0.00012 0.00009 -0.00001 0.00016 0.00010 -0.00000 0.00017 0.00001 -0.00009 0.00008 0.00020 0.00014 -0.00001 -0.00003 -0.00005 0.00050 -0.00002 -0.00001 0.00003 -0.00032 0.00000 -0.00000 0.00005 -0.00008 -0.00009 -0.00049 -0.00041 0.00001 0.00008 0.00004 -0.00007 -0.00029 -0.00002 0.00001 0.00011 -0.00039 0.00002 -0.00003 -0.00030 0.00028 -0.00003 -0.00002 0.00000 0.00002 -0.00030 -0.00012 0.00001 -0.00001 -0.00060 -0.00000 0.00003 -0.00040 -0.00000 0.00002 -0.00001 0.00005 -0.00054 -0.00002 0.00002 0.00023 0.00011 0.00008 -0.00047 0.00008 0.00000 -0.00026 0.00001 -0.00001 -0.00088 0.00037 0.00013 0.00018 0.00046 -0.00010 -0.00040 -0.00004 0.00010 0.00014 0.00036 -0.00010 0.00017 -0.00003 -0.00031 0.00010 0.00018 -0.00002 -0.00006 -0.00007 -0.00002 -0.00007 -0.00015 -0.00005 0.00000 0.00054 -0.00023 -0.00025 -0.00016 0.00002 0.00006 0.00012 0.00004 0.00028 -0.00014 0.00001 -0.00032 -0.00005 0.00036 -0.00036 0.00001 0.00012 -0.00003 0.00024 -0.00003 0.00000 -0.00017 -0.00026 0.00026 0.00014 0.00011 -0.00005 -0.00012 0.00022 -0.00001 -0.00024 0.00017 0.00002 -0.00004 0.00031 -0.00020 -0.00061 0.00018 -0.00037 0.00010 0.00039 -0.00012 -0.00037 -0.00019 0.00008 0.00019 0.00006 -0.00030 0.00013 0.00032 0.00003 -0.00032 0.00010 -0.00022 -0.00032 0.00004 -0.00009 -0.00013 0.00023 -0.00017 -0.00040 0.00030 -0.00006 -0.00005 0.00037 -0.00001 0.00005 -0.00009 -0.00049 -0.00024 -0.00027 -0.00019 -0.00009 -0.00008 -0.00001 0.00010 -0.00023 -0.00015 -0.00004 -0.00002 -0.00010 -0.00024 -0.00032 0.00020 0.00012 0.00039 0.00025 0.00028 0.00039 0.00025 0.00028 0.00053 0.00039 0.00042 0.00070 0.00071 -0.00085 -0.00081 -0.00038 -0.00022 -0.00006 0.00059 0.00062 -0.00037 -0.00034 0.00009 0.00012 0.00020 0.00069 0.00041 0.00029 0.00018 0.00011 -0.00001 0.00029 0.00018 -0.00063 -0.00064 -0.00031 -0.00032 -0.00084 -0.00085 -0.00013 -0.00016 -0.00022 -0.00025 -0.00043 -0.00046 0.00066 0.00059 0.00031 -0.00022 -0.00017 0.00004 -0.00049 -0.00045 -0.00027 -0.00039 -0.00036 0.00016 -0.00006 -0.00006 0.00034 0.00011 0.00011 0.00018 0.00054 0.00044 0.00015 0.00050 0.00041 -0.00064 -0.00080 -0.00024 -0.00022 0.00005 0.00008 0.00010 0.00037 0.00057 0.00025 0.00036 0.00004 -0.00038 -0.00030 -0.00037 -0.00029 -0.00006 0.00002 0.00015 0.00039 0.00047 0.00070 0.00006 0.00030 -0.00029 -0.00022 -0.00002 -0.00024 -0.00017 0.00002 0.00031 0.00008 0.00012 0.00027 0.00003 0.00007 0.00002 -0.00013 -0.00001 0.00010 -0.00005 0.00007 -0.00013 -0.00028 -0.00016 3.44518 3.31000 1.84924 1.85588 1.84936 3.50431 1.85009 1.82328 1.86641 3.51802 3.45503 1.82356 1.87110 3.43639 3.39623 3.34335 3.27461 1.85270 3.43983 1.84789 3.34371 3.53665 1.84813 1.85032 3.52236 3.46237 1.84657 1.85258 3.31839 3.43492 1.86606 1.82331 1.82359 1.87567 3.42730 3.22711 1.86626 1.82339 3.38279 1.85141 1.85980 3.35551 1.84090 1.85400 1.82325 1.86021 3.34360 1.86374 1.85813 1.60891 2.37902 1.79905 1.94970 1.82164 1.83879 2.83995 2.85724 1.85953 2.24786 2.16912 1.74437 1.58701 1.70501 1.85702 2.10357 2.14092 1.67306 1.93991 1.69474 1.81964 1.61238 1.89888 1.80479 1.66527 1.78015 2.89328 1.74538 1.87996 1.81841 1.80660 1.89920 1.88688 2.88642 1.59968 1.83562 2.25613 1.64864 2.16075 1.85859 2.09627 1.87112 1.65121 1.85384 2.06398 1.91452 1.83736 1.71223 1.95304 1.87057 1.79013 1.82043 1.81524 1.72147 1.82653 1.55591 2.17165 1.71883 2.16545 1.94220 1.85676 1.90539 1.77620 1.84056 1.72824 2.31000 1.83059 2.94726 2.98691 2.98186 3.00998 3.03300 3.00162 3.01670 3.05336 3.06933 3.02114 3.08106 3.05267 2.87038 3.07718 2.90054 2.96433 3.23398 2.98296 3.20471 3.10007 2.97151 3.22268 3.20028 3.32783 3.10015 3.13136 3.15675 3.10414 3.23165 3.16725 3.07678 3.25349 3.21201 3.08966 1.15909 -2.93974 -0.67874 0.43781 2.32458 -2.22009 2.63443 -1.76199 -0.02347 -1.76349 0.12328 1.86180 -0.21735 1.61882 -1.87124 -0.03507 2.32559 -2.12142 -2.25792 -0.32097 2.09609 1.53336 -2.81287 -0.39581 -0.44834 1.48861 -2.37752 -0.96550 0.95575 0.70812 -0.95123 3.11570 -0.95154 0.85873 1.85572 -2.57573 -2.02937 -0.17763 -0.33177 1.51996 2.56743 0.45931 -1.15179 -1.57967 3.04260 0.36568 -1.29524 2.31580 0.65489 1.80280 -2.60960 -0.34260 1.52819 -2.04552 -0.17473 -1.56643 2.85813 2.47265 0.61402 0.75974 -1.09889 0.50913 -1.21201 -0.17484 -1.77178 2.29280 1.64117 0.04423 -2.17437 1.19517 -2.78429 -0.74900 0.19839 2.03364 -2.28243 -1.70565 0.12961 2.09671 -1.84048 2.14951 -0.13328 -0.03117 -2.32436 1.67603 -0.20388 1.79994 -2.33319 1.80462 -0.13716 1.97640 -0.16897 -2.11075 3.11419 -1.15684 -1.23053 0.78162 -2.34844 -0.44939 1.66887 -2.71526 -0.60535 1.29370 0.12057 1.96551 2.33941 -2.09884 -1.78502 0.05992 -0.97673 2.86109 0.84581 0.92175 -1.52362 2.74429 -2.67165 -0.86508 1.03514 -0.73986 1.06671 2.96693 2.10365 0.29243 -1.75264 0.54140 -1.26982 2.96830 -1.90788 2.56408 0.51901 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000007 0.001384 0.000347 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.179896e-07 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 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 29 29 31 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 41 30 31 38 33 34 36 37 38 39 41 1.823 1.7515 0.9786 0.9821 0.9787 1.8541 0.979 0.9648 0.9876 1.8618 1.8283 0.965 0.9901 1.8185 1.7973 1.7695 1.7331 0.9804 1.8202 0.9778 1.7695 1.8717 0.978 0.9791 1.8639 1.8324 0.9772 0.9804 1.7562 1.8175 0.9875 0.9649 0.965 0.9925 1.8138 1.7078 0.9876 0.9649 1.7904 0.9797 0.9842 1.7759 0.9742 0.9811 0.9648 0.9844 1.7696 0.9863 0.9833 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 11 3 3 13 12 9 9 15 18 18 19 4 2 2 2 15 15 21 19 19 19 24 24 25 27 27 28 25 25 30 8 8 33 13 13 13 16 16 36 31 31 31 37 37 39 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 13 14 14 14 17 17 17 18 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 42 42 13 21 21 35 15 16 16 19 27 27 17 15 21 22 21 22 22 24 25 34 25 34 34 28 41 41 30 31 31 33 34 34 16 36 37 36 37 37 37 39 41 39 41 41 92.1706 136.3016 103.0736 111.7366 104.3675 105.355 162.7315 163.7072 106.5439 128.8437 124.26 99.9376 90.9192 97.6632 106.4051 120.5484 122.6679 95.8535 111.1404 97.081 104.2632 92.3729 108.7993 103.4245 95.4073 101.9847 165.7735 100.0064 107.7175 104.1882 103.5145 108.8251 108.1128 165.3794 91.6241 105.1866 129.281 94.4694 123.8008 106.4861 120.1006 107.205 94.5915 106.2253 118.2565 109.7124 105.2759 98.0834 111.9218 107.1755 102.5598 104.3043 103.992 98.635 104.6519 89.157 124.4409 98.4666 124.0635 111.2735 106.3873 109.1779 101.756 105.4569 99.0347 132.3437 104.8839 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 1 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 42 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 10 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 8 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 168.8681 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 171.1192 170.8593 172.4941 173.7679 172.0013 172.8381 174.9222 175.8665 173.1198 176.5427 174.9006 164.4498 176.3058 166.2059 169.8357 185.2752 170.9091 183.6343 177.6153 170.2677 184.6639 183.3604 190.6757 177.6329 179.4004 180.878 177.8771 185.1424 181.4735 176.2894 186.3897 184.0352 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 39 40 42 3 3 3 39 39 39 42 42 42 3 3 39 39 40 40 3 3 3 40 40 40 42 42 42 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 7 7 9 9 30 30 7 7 11 11 30 30 7 7 9 9 11 11 3 21 3 3 3 13 13 13 12 12 12 9 9 9 16 16 16 9 9 9 15 15 15 19 27 18 18 18 27 27 27 18 18 19 19 19 19 24 24 34 34 19 19 24 24 25 25 27 27 27 28 28 28 25 25 25 30 30 30 13 13 13 16 16 16 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 3 3 3 4 4 4 4 4 4 4 4 4 10 10 10 10 10 10 38 38 38 38 38 38 38 38 38 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 13 13 20 20 20 20 20 20 35 35 35 20 20 20 20 20 20 35 35 35 35 35 35 18 18 23 23 23 23 23 23 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 12 12 12 5 8 18 5 8 18 5 8 18 2 11 2 11 2 11 31 37 41 31 37 41 31 37 41 11 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 2 42 2 42 2 42 15 16 15 16 15 16 25 31 25 31 25 31 35 35 2 15 22 2 15 22 16 36 37 2 21 22 2 21 22 13 36 37 13 36 37 4 4 24 25 34 24 25 34 28 41 28 41 30 31 30 31 30 31 8 33 8 33 8 33 31 37 39 31 37 39 37 39 41 37 39 41 31 39 41 31 39 41 31 39 66.4165 -168.4066 -38.8749 25.1003 133.1994 -127.1966 150.9465 -100.9544 -1.3504 -101.0274 7.0717 106.6757 -12.4519 92.7577 -107.2006 -1.9909 133.2348 -121.5555 -129.3912 -18.4041 120.0811 87.8331 -161.1798 -22.6945 -25.718 85.269 -136.2457 -55.3596 54.7199 40.6208 -54.4551 178.538 -54.5068 49.2045 106.2912 -147.614 -116.253 -10.1582 -19.0143 87.0806 147.091 26.2768 -66.016 -90.5253 174.3179 20.9456 -74.2111 132.6691 37.5124 103.3292 -149.482 -19.6115 87.5773 -117.1513 -9.9625 -89.7424 163.7677 141.6851 35.1952 43.5546 -62.9354 29.1335 -69.4765 -10.0354 -101.5031 131.3776 94.0301 2.5623 -124.5569 68.4935 -159.5055 -42.8937 11.3573 116.5224 -130.7702 -97.7458 7.4193 120.1267 -105.4621 123.1274 -7.6619 -1.7943 -133.2049 96.0058 -11.6445 103.1744 -133.668 103.4098 -7.8616 113.2351 -9.687 -120.9584 178.397 -66.2964 -70.525 44.7817 -134.5341 -25.7309 95.6405 -155.5563 -34.6808 74.1223 6.8997 112.5934 134.0114 -120.2949 -102.2777 3.4159 -55.9459 163.9406 48.4625 52.8265 -87.287 157.235 -153.0921 -49.5699 59.3028 -42.4064 61.1159 169.9885 120.5291 16.7624 -100.4184 31.0143 -72.7524 170.0668 -109.3063 146.927 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0457110662 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2095,-1.0977,-1.035;1.6671,-1.8845,1.4087;1.9312,-1.1215,-1.6697;-2.2358,-2.2738,-1.414;-2.3375,-3.1506,-1.7972;.9669,.8087,2.7056;1.1055,.8343,3.6578;-2.3062,-2.3931,-.4368;1.851,.9965,2.2975;.7284,-1.7095,1.6052;.7417,-.8382,2.0522;2.8883,-.9553,-1.7633;2.9529,.0118,-1.6699;3.3453,1.1322,1.5167;3.5187,.1864,1.3567;3.1392,1.4812,.6283;-3.6917,.1923,-1.4739;-3.2881,-.6769,-1.6323;-3.5272,.3424,-.522;3.429,-1.6053,.8184;3.3062,-1.428,-.1442;4.1648,-2.222,.8817;-3.0449,.3531,1.2305;-3.7379,.6439,1.8314;-2.3062,1.0139,1.3258;-2.1134,1.9817,-2.7661;-2.7057,1.3354,-2.3133;-2.476,2.8429,-2.5366;-1.0718,2.1052,1.3655;-.383,1.7133,1.9366;-.7098,1.991,.4585;-2.2449,-2.289,1.2989;-1.2908,-2.2564,1.4522;-2.5333,-1.3559,1.3763;2.6806,1.8131,-1.1186;3.0159,2.5723,-1.605;1.7012,1.8564,-1.187;-.022,1.5902,-1.0985;.0043,.6042,-1.0668;-.6097,-1.5665,-1.2978;-.7189,1.8005,-1.7639;.338,-1.3118,-.0847; 0.000000 2.952144 0.000000 1.835123 3.182558 0.000000 2.739806 4.832396 4.330977 0.000000 3.358939 5.283728 4.728126 0.962240 0.000000 4.266180 3.070151 4.878477 6.060573 6.846206 0.000000 5.153359 3.572895 5.734895 6.822546 7.582213 0.962482 0.000000 2.892131 4.410430 4.592640 0.986883 1.557364 5.553342 6.230663 0.000000 4.264415 3.020588 4.497902 6.416498 7.176883 0.991673 1.559599 6.020579 0.000000 2.759314 0.974960 3.538027 4.268512 4.801313 2.758441 3.290270 3.720979 3.010251 0.000000 3.143447 1.537968 3.917655 4.789697 5.444883 1.786021 2.346749 4.231168 2.157903 0.979356 0.000000 2.779607 3.523617 0.975853 5.302502 5.668219 5.174395 5.980647 5.550549 4.623315 4.071888 4.379393 0.000000 3.026610 3.837607 1.525862 5.675600 6.164830 4.870826 5.698560 5.912857 4.233704 4.317144 4.412045 0.973745 0.000000 4.616971 3.453749 4.151154 7.165070 7.849701 2.678593 3.112776 6.941371 1.691449 3.864064 3.308713 3.914668 3.400565 0.000000 4.280185 2.778451 3.659283 6.844280 7.441638 2.952716 3.396757 6.618158 2.079097 3.382613 3.040581 3.381624 3.084052 0.974776 0.000000 4.242630 3.755503 3.676133 6.867398 7.571645 3.080000 3.705660 6.767272 2.163474 4.116600 3.626936 3.423274 2.734139 0.976494 1.533334 0.000000 4.132342 6.429570 5.777654 2.864418 3.621215 6.288939 7.053992 3.111144 6.752080 5.712630 5.757623 6.685512 6.649920 7.703600 7.746105 7.262273 0.000000 3.573156 5.938058 5.238363 1.924836 2.655122 6.255417 7.040780 2.310494 6.682343 5.261142 5.462718 6.184023 6.279030 7.562478 7.484170 7.146872 0.971376 0.000000 4.037353 5.972239 5.766674 3.050868 3.904141 5.552646 6.258914 2.996793 6.107505 5.181178 5.122864 6.662033 6.589297 7.211844 7.293745 6.860052 0.977611 1.526122 0.000000 3.749371 1.879033 2.944191 6.125434 6.517828 3.930819 4.405960 5.923593 3.383409 2.814888 3.054922 2.716580 3.005566 2.826410 1.872996 3.105879 7.693537 7.210272 7.347059 0.000000 3.239082 2.303554 2.076454 5.748159 6.127859 4.312360 4.941207 5.702232 3.735964 3.128043 3.427601 1.737645 2.127341 3.051976 2.214546 3.014579 7.305003 6.801696 7.069062 0.986462 0.000000 4.536708 2.574853 3.565090 6.800045 7.093556 4.768474 5.138722 6.606155 4.209148 3.548960 3.873297 3.198437 3.601316 3.510769 2.538408 3.850926 8.549957 8.015820 8.228791 0.962106 1.555714 0.000000 4.222377 5.219350 5.945366 3.814224 4.684319 4.298616 4.832066 3.296497 5.051902 4.316445 4.053711 6.773228 6.671034 6.443841 6.566933 6.314900 2.785321 3.052190 1.817682 6.776195 6.737785 7.663679 0.000000 5.179886 5.982130 6.892968 4.615335 5.433733 4.788186 5.179827 4.051863 5.619331 5.053401 4.723586 7.706128 7.577955 7.106946 7.286492 7.031533 3.336263 3.734146 2.381891 7.579582 7.603565 8.459762 0.962207 0.000000 4.044924 4.918894 5.611530 4.280242 5.205486 3.558027 4.136460 3.835938 4.269277 4.087006 3.639774 6.356321 6.134926 5.655967 5.883522 5.509751 3.229971 3.545919 2.314292 6.325448 6.294664 7.248627 0.995709 1.562734 0.000000 4.227967 6.831471 5.214491 4.466807 5.227697 6.387814 7.276246 4.959919 6.505890 6.388134 6.270516 5.886285 5.545251 6.990082 7.207065 6.273920 2.713370 3.119869 3.118016 7.512249 6.918959 8.390083 4.415078 5.056173 4.209185 0.000000 4.006642 6.583584 5.286961 3.749130 4.530528 6.241490 7.101476 4.193111 6.491395 6.034827 5.972231 6.069815 5.846904 7.164177 7.316675 6.545044 1.727229 2.202819 2.206778 7.489399 6.963077 8.370651 3.693115 4.326900 3.675110 0.986661 0.000000 4.999558 7.421577 5.990958 5.243890 6.040448 6.593436 7.431860 5.643830 6.745427 6.938773 6.705342 6.618136 6.183815 7.296825 7.625769 6.587990 3.103635 3.723746 3.378790 8.118646 7.576123 9.024339 4.551307 5.050463 4.276965 0.962154 1.541140 0.000000 4.202704 4.839548 5.351843 5.315641 6.263199 2.762799 3.407363 5.000636 3.261924 4.224851 3.524718 5.902341 5.458420 4.525473 4.975385 4.320308 4.311036 4.651806 3.563574 5.858713 5.824843 6.810306 2.642220 3.075792 1.648119 4.262673 4.098359 4.212251 0.000000 4.133172 4.174438 5.137826 5.527761 6.435709 1.797766 2.439402 5.117996 2.373731 3.613874 2.790750 5.613499 5.199079 3.796576 4.229775 3.764477 4.989189 5.185556 4.220171 5.176405 5.273248 6.105872 3.071551 3.522780 2.135654 5.018128 4.857992 5.066235 0.976798 0.000000 3.551901 4.644627 4.603509 4.901368 5.845786 3.042852 3.855990 4.750783 3.305834 4.132393 3.556843 5.153951 4.675815 4.277994 4.684451 3.886342 3.982550 4.258753 3.408334 5.494845 5.308571 6.456823 2.954888 3.587270 2.062857 3.516836 3.478036 3.579961 0.983211 1.539058 0.000000 3.590356 3.934467 5.255121 2.712956 3.215109 4.678740 5.152143 1.739970 5.344904 3.044708 3.404780 6.124167 6.412920 6.557631 6.273021 6.607017 3.992305 3.504157 3.447324 5.735201 5.799899 6.423645 2.761341 3.333805 3.303600 5.897484 5.137810 6.411012 4.548577 4.460017 4.623992 0.000000 3.127225 2.981565 4.627734 3.017976 3.528970 4.007912 4.489913 2.148971 4.600721 2.097545 2.550030 5.431080 5.735999 5.742834 5.395194 5.854326 4.508016 3.999750 3.956302 4.806541 4.936304 5.485466 3.151994 3.813609 3.426663 6.035876 5.392794 6.581642 4.367934 4.100876 4.400611 0.966899 0.000000 3.661164 4.233714 5.409745 2.952400 3.651071 4.324844 4.821109 2.101139 5.060064 3.288768 3.383906 6.277798 6.422532 6.384998 6.245501 6.386369 3.444176 3.175287 2.734117 5.993606 6.034628 6.771958 1.789819 2.378498 2.381213 5.336205 4.570154 5.739693 3.757032 3.789159 3.920359 0.979705 1.536376 0.000000 3.819167 4.592029 3.078489 6.400089 7.090809 4.309365 5.123745 6.559304 3.609002 4.861958 4.565370 2.850014 1.903333 2.801838 3.078298 1.836335 6.584755 6.487666 6.407477 3.999685 3.441684 4.741948 6.358582 7.160069 5.610932 5.072023 5.537912 5.446311 4.509631 4.327828 3.743552 6.850747 6.240357 6.591829 0.000000 4.655088 5.546596 3.850340 7.148561 7.838821 5.088221 5.862287 7.371833 4.366840 5.819915 5.493466 3.533484 2.562123 3.453575 3.836286 2.488608 7.118491 7.092178 6.996956 4.847253 4.268538 5.521699 7.049693 7.819248 6.272401 5.292167 5.896526 5.576964 5.074545 4.983274 4.298474 7.729258 7.156153 7.423788 0.961970 0.000000 3.312886 4.553424 3.025565 5.710547 6.461672 4.097534 4.987130 5.888960 3.592169 4.632316 4.321351 3.105967 2.280941 3.246176 3.544456 2.346057 5.651049 5.613319 5.483657 4.357843 3.801413 5.194492 5.534427 6.337536 4.804532 4.130421 4.578334 4.499298 3.777125 3.757835 2.922141 6.239911 5.730003 5.900911 0.982775 1.554230 0.000000 2.698601 4.605693 3.390353 4.464413 5.322069 4.007467 4.946122 4.639118 3.923353 4.331307 4.050527 3.923111 3.415814 4.288020 4.531562 3.603660 3.944815 4.011544 3.765082 5.078866 4.593069 5.998566 4.011563 4.825687 3.380378 2.703413 2.956948 3.108063 2.727361 3.058931 1.748704 5.073168 4.786636 4.594632 2.711840 3.232614 1.745853 0.000000 1.714568 3.884205 2.656045 3.663556 4.485062 3.898719 4.856674 3.836512 3.857795 3.607906 3.514635 3.351752 3.067405 4.256224 4.289448 3.670132 3.741062 3.577870 3.582859 4.490528 3.985385 5.393885 3.826028 4.733399 3.351291 3.044615 3.071289 3.650206 3.054043 3.225001 2.181709 4.361951 4.025657 4.031188 2.937120 3.637679 2.112320 0.986817 0.000000 0.979752 3.551052 2.606236 1.777113 2.396671 4.914732 5.767402 2.074251 5.054651 3.199681 3.684986 3.581297 3.914275 5.553901 5.211789 5.201139 3.552917 2.842064 3.571792 4.559695 4.084567 5.289169 4.000909 4.946017 4.052174 4.123941 3.721011 4.945773 4.559381 4.611896 3.968685 3.152615 2.915856 3.300828 4.720133 5.510808 4.131444 3.217102 2.267670 0.000000 3.129422 5.416481 3.945934 4.361607 5.209044 4.878792 5.801425 4.676171 4.872943 5.075960 4.864043 4.539419 4.085434 5.265614 5.504673 4.550766 3.392286 3.571540 3.399251 5.955968 5.408140 6.857898 4.058556 4.835057 3.561541 1.726796 2.113226 2.184270 3.163950 3.716739 2.230576 5.332345 5.208546 4.807904 3.460262 3.817041 2.488541 0.986310 1.562095 3.400904 0.000000 0.982524 2.079600 2.255384 3.052396 3.670442 3.560631 4.381864 2.878363 3.645817 1.779380 2.225687 3.073799 3.332040 4.192984 3.799887 4.019385 4.520043 3.993390 4.227006 3.233577 2.970996 4.050486 3.993214 4.910119 3.793513 4.903735 4.608599 5.585015 3.970712 3.709011 3.507382 3.088870 2.430528 3.221983 4.040001 4.956674 3.620921 3.094969 2.178787 1.560309 3.691011 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0223,-.0809,-1.5233;1.9027,-2.1012,-.5601;1.5276,.5553,-2.2721;-2.5105,-1.0086,-2.1978;-2.7036,-1.4049,-3.0532;1.5309,-1.0981,2.3177;1.8663,-1.6996,2.99;-2.3764,-1.7603,-1.5726;2.3126,-.5703,2.0114;1.0287,-2.2294,-.1475;1.1487,-1.8916,.7639;2.4463,.8659,-2.3812;2.5438,1.5177,-1.6644;3.6121,.2501,1.3048;3.7337,-.3099,.5163;3.2298,1.0734,.9447;-3.9087,.6388,-.3175;-3.5606,.1641,-1.0902;-3.5462,.1317,.4355;3.5059,-1.2684,-1.0767;3.1868,-.5097,-1.6204;4.2291,-1.6636,-1.5732;-2.7074,-.9721,1.6111;-3.2546,-1.2545,2.3505;-1.9551,-.4559,2.0101;-2.6091,3.0203,-.2715;-3.1032,2.1666,-.2945;-2.9024,3.4469,.5394;-.7232,.4772,2.5828;.0638,-.1007,2.6089;-.5611,1.0501,1.8003;-1.9513,-2.8404,-.2764;-.9859,-2.7932,-.3007;-2.2028,-2.2494,.4634;2.4206,2.4266,.0034;2.6581,3.3513,.1215;1.4493,2.3745,.1441;-.2209,1.8928,.3063;-.2036,1.1555,-.3493;-.8855,-.3552,-1.8971;-1.0385,2.4004,.0903;.2991,-.8575,-1.0144; 0.4061538 0.2511323 0.2360066 -19.12723 -19.12686 -19.12660 -19.12583 -19.12378 -19.12082 -19.11968 -19.11711 -19.11654 -19.11639 -19.11636 -19.11548 -19.11218 -19.11062 -1.03086 -1.02552 -1.02108 -1.02051 -1.01589 -1.01520 -1.01239 -1.00642 -1.00422 -1.00248 -1.00040 -0.99409 -0.99119 -0.98601 -0.54529 -0.54298 -0.53975 -0.53752 -0.53489 -0.53195 -0.53004 -0.52961 -0.52588 -0.52478 -0.52255 -0.52133 -0.51974 -0.51840 -0.44820 -0.43997 -0.43645 -0.42097 -0.41662 -0.41433 -0.40306 -0.40034 -0.39750 -0.39198 -0.38397 -0.38131 -0.37501 -0.36238 -0.32896 -0.32852 -0.32665 -0.32627 -0.32477 -0.32239 -0.32179 -0.32004 -0.31915 -0.31841 -0.31771 -0.31588 -0.31539 -0.31121 0.00112 0.02732 0.03884 0.04284 0.05859 0.06317 0.07424 0.08092 0.09053 0.10234 0.10498 0.10754 0.10967 0.11260 0.11988 0.12589 0.13482 0.13834 0.14112 0.14563 0.15042 0.15244 0.15642 0.16499 0.17111 0.17419 0.17658 0.18492 0.19129 0.19327 0.19495 0.20119 0.20618 0.20882 0.21173 0.21592 0.21711 0.22173 0.22895 0.23211 0.23722 0.24014 0.24414 0.24942 0.25413 0.25513 0.26117 0.26523 0.26532 0.27049 0.27361 0.27643 0.28040 0.28085 0.28601 0.28719 0.28932 0.29273 0.29849 0.30184 0.30613 0.30878 0.31213 0.31424 0.31988 0.32643 0.33982 0.35007 0.35318 0.37520 0.38604 0.40510 0.42512 0.44750 0.46146 0.46436 0.46840 0.47572 0.48467 0.49135 0.49658 0.49800 0.52090 0.52475 0.53254 0.54345 0.54921 0.55531 0.56115 0.56765 0.57446 0.57816 0.58297 0.58602 0.59164 0.59685 0.60348 0.60930 0.61807 0.62059 0.63010 0.65265 0.65468 0.65994 0.66613 0.67052 0.69073 0.69365 0.70331 0.71378 0.72505 0.73092 0.94749 0.95006 0.95746 0.96330 0.97506 0.97730 0.98482 0.98967 0.99224 1.00571 1.01659 1.02120 1.02527 1.03025 1.03958 1.04244 1.04409 1.04986 1.05568 1.06208 1.06724 1.07198 1.07448 1.08374 1.08764 1.09220 1.09928 1.10884 1.11165 1.11444 1.11713 1.12141 1.13170 1.13602 1.14508 1.14837 1.16713 1.17028 1.17557 1.19152 1.20181 1.22146 1.23090 1.24968 1.25588 1.26450 1.27808 1.28249 1.29628 1.29968 1.30684 1.31465 1.31678 1.32622 1.32906 1.33986 1.34190 1.35032 1.35400 1.38030 1.38727 1.39790 1.40171 1.40483 1.41349 1.43334 1.44105 1.44940 1.45515 1.46339 1.47156 1.47828 1.48408 1.49440 1.50600 1.51420 1.52359 1.53303 1.54321 1.55679 1.56101 1.56978 1.58146 1.58672 1.59509 1.60090 1.61762 1.61904 1.62783 1.64347 1.65021 1.66394 1.67075 1.67934 1.69196 1.70139 1.70399 1.72607 1.74103 1.75391 1.76051 1.76847 1.77803 1.78175 1.79687 1.81315 1.82152 1.83469 1.84527 1.86604 1.87686 1.90452 2.03120 2.04845 2.04970 2.05359 2.05610 2.05878 2.18002 2.21317 2.22113 2.24129 2.27480 2.29598 2.29769 2.31366 2.31639 2.32762 2.33251 2.33830 2.35259 2.37661 2.40144 2.41926 2.42747 2.44728 2.45214 2.46486 2.49538 2.52356 2.54262 2.55552 2.57618 2.60996 2.61718 2.64496 2.68246 2.69507 2.70193 2.70526 2.71071 2.72095 2.73154 2.73957 2.74774 2.76550 2.77710 2.78598 2.79816 2.81462 2.82865 2.83944 2.85225 2.86434 2.87060 2.90009 2.91656 2.94072 3.07220 3.07726 3.08018 3.08335 3.09069 3.09659 3.09936 3.10665 3.10886 3.11404 3.11553 3.11784 3.12713 3.12893 3.13348 3.14520 3.15214 3.15830 3.16200 3.16765 3.16861 3.17135 3.17708 3.18799 3.19066 3.19615 3.21090 3.21998 3.30493 3.30767 3.31736 3.31898 3.32254 3.33204 3.33750 3.34996 3.36407 3.37027 3.37815 3.38039 3.38946 3.41434 3.68383 3.68784 3.69181 3.70427 3.70958 3.73250 3.73932 3.74312 3.75034 3.76454 3.76805 3.77234 3.78164 3.80090 3.90603 3.91760 3.92443 3.92913 3.93409 3.93629 3.94411 3.94967 3.95622 3.97097 3.97513 3.99449 4.01439 4.02110 5.01150 5.01880 5.02414 5.02936 5.03256 5.03438 5.04200 5.04985 5.05212 5.06723 5.06980 5.08463 5.12864 5.16122 5.39772 5.41473 5.42276 5.43758 5.44713 5.45778 5.46746 5.47500 5.48039 5.49826 5.51171 5.52274 5.53766 5.58505 5.66877 5.67546 5.68010 5.68426 5.69153 5.69565 5.70290 5.70395 5.71392 5.72985 5.74187 5.75961 5.77194 5.80099 49.88672 49.90777 49.91812 49.92332 49.92603 49.92727 49.93165 49.93708 49.94554 49.95182 49.96682 49.97027 49.97947 50.00411 1-A. 2.5347 -1.7597 1.3668 3.3748 -100.8271 -94.2597 -92.9525 -0.7380 -5.3721 5.3465 -4.8141 1.7534 3.0606 -0.7380 -5.3721 5.3465 62.9974 80.4978 -0.3483 57.3519 -43.1166 1.3093 -46.0196 -72.2254 33.0123 -10.3341 -3678.0411 -1666.4285 -1321.9298 -51.3775 -320.1474 12.6380 85.0935 156.9564 -13.0801 -724.0379 -683.9446 -436.9589 97.2734 -51.5418 -14.3587 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.8519,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4459;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; 0.000000 2.969563 0.000000 1.823007 3.213868 0.000000 2.784717 4.847100 4.411799 0.000000 3.463844 5.373871 4.907612 0.964841 0.000000 4.450792 3.105130 4.976250 6.221814 7.040377 0.000000 5.366681 3.696016 5.867001 7.014595 7.809935 0.964988 0.000000 2.892606 4.364113 4.611600 0.987649 1.564947 5.660620 6.378991 0.000000 4.412893 3.018967 4.567350 6.547420 7.349990 0.990120 1.565641 6.087827 0.000000 2.798805 0.978666 3.575048 4.294323 4.893360 2.790271 3.409148 3.692242 3.004366 0.000000 3.253425 1.546536 3.984790 4.868419 5.572606 1.818503 2.453976 4.254683 2.157439 0.980406 0.000000 2.776346 3.550750 0.979036 5.385020 5.851433 5.249448 6.088927 5.566879 4.673416 4.101865 4.432712 0.000000 3.055881 3.840552 1.535971 5.778900 6.359669 4.919439 5.764970 5.942752 4.264826 4.320375 4.439882 0.977842 0.000000 4.608326 3.356222 4.056609 7.176320 7.914006 2.714357 3.189236 6.891050 1.733065 3.781041 3.265475 3.800986 3.281280 0.000000 4.240366 2.666048 3.568654 6.814289 7.471841 2.997010 3.503203 6.523133 2.132841 3.287586 2.992046 3.285693 2.998365 0.977997 0.000000 4.239029 3.678277 3.574128 6.897285 7.656714 3.139745 3.783123 6.735683 2.234963 4.048999 3.606696 3.300047 2.599990 0.979142 1.544223 0.000000 4.087215 6.326542 5.726902 2.818149 3.547083 6.349265 7.118508 3.073124 6.795820 5.604773 5.710917 6.645321 6.634867 7.662405 7.659528 7.236821 0.000000 3.511406 5.824049 5.190293 1.861824 2.578887 6.311656 7.109775 2.253111 6.715779 5.147299 5.411886 6.145761 6.268412 7.496027 7.371037 7.100114 0.977153 0.000000 4.049681 5.897411 5.757108 3.049389 3.870066 5.627081 6.335212 2.992242 6.168935 5.095967 5.093743 6.658886 6.603569 7.205156 7.243293 6.869987 0.980361 1.537423 0.000000 3.738568 1.854135 2.954754 6.106554 6.568936 4.035145 4.580209 5.837247 3.480730 2.803778 3.091272 2.741278 3.052096 2.827512 1.863893 3.128150 7.614751 7.104411 7.307180 0.000000 3.251434 2.317809 2.101422 5.778620 6.235121 4.440016 5.120020 5.666460 3.848568 3.155503 3.499974 1.769454 2.192194 3.026541 2.176258 3.010912 7.268109 6.742466 7.073341 0.987493 0.000000 4.537690 2.575669 3.610878 6.787596 7.154867 4.851288 5.292451 6.523645 4.282673 3.554297 3.906554 3.263565 3.679158 3.503340 2.531004 3.870196 8.477397 7.916861 8.192587 0.964861 1.564249 0.000000 4.343468 5.228037 6.011281 3.922385 4.767680 4.383859 4.920173 3.407662 5.124710 4.313937 4.079275 6.833623 6.723041 6.478683 6.573882 6.360362 2.790599 3.085622 1.817533 6.818488 6.821574 7.707029 0.000000 5.298509 5.963383 6.951979 4.734771 5.520207 4.823634 5.208883 4.174186 5.651019 5.023754 4.710972 7.756026 7.617565 7.123109 7.272795 7.063484 3.411467 3.821095 2.448245 7.597764 7.668130 8.475086 0.965000 0.000000 4.144269 4.907211 5.642188 4.363414 5.277456 3.642107 4.217911 3.907001 4.341162 4.060840 3.649132 6.382839 6.154271 5.693168 5.892778 5.553333 3.222273 3.552916 2.314259 6.365576 6.367599 7.288658 0.992550 1.565770 0.000000 4.294053 6.872160 5.250000 4.535628 5.292425 6.576322 7.447461 5.018141 6.694379 6.417505 6.363817 5.938705 5.631005 7.098120 7.286085 6.387341 2.742078 3.175693 3.183776 7.608407 7.036886 8.498075 4.482456 5.158566 4.276184 0.000000 4.055293 6.590388 5.310003 3.812019 4.581510 6.388521 7.237023 4.247025 6.631967 6.032216 6.028484 6.105751 5.908206 7.221974 7.343694 6.610324 1.756176 2.268581 2.261807 7.539151 7.042633 8.431821 3.740216 4.414699 3.713474 0.987580 0.000000 5.132782 7.548923 6.078657 5.338021 6.110931 6.892813 7.708869 5.748157 7.048349 7.053992 6.894002 6.723264 6.325724 7.527722 7.819986 6.817885 3.171263 3.808933 3.504226 8.309814 7.777748 9.222688 4.690386 5.226745 4.440527 0.964901 1.551926 0.000000 4.199283 4.727901 5.239679 5.359508 6.314316 2.772333 3.419191 5.022247 3.247850 4.109973 3.447498 5.779818 5.323128 4.472983 4.897730 4.260146 4.321680 4.647524 3.605671 5.810844 5.789102 6.761968 2.697333 3.155336 1.707774 4.320027 4.130533 4.411286 0.000000 4.156101 4.069556 5.049438 5.584332 6.507374 1.797252 2.456336 5.143948 2.343932 3.506935 2.709769 5.509986 5.078475 3.744607 4.156910 3.709439 4.997473 5.177853 4.257554 5.138876 5.248477 6.064538 3.135062 3.587141 2.205564 5.102909 4.911942 5.286894 0.979725 0.000000 3.537351 4.537837 4.478379 4.947310 5.904887 3.103949 3.912026 4.768222 3.338488 4.026241 3.506422 5.023386 4.540216 4.233419 4.611684 3.833586 4.002217 4.260808 3.468534 5.449581 5.272943 6.413883 3.035506 3.689534 2.148491 3.596473 3.530244 3.804544 0.984152 1.550763 0.000000 3.520110 3.760572 5.170675 2.737517 3.271073 4.610689 5.147313 1.769483 5.232321 2.874808 3.261519 6.026401 6.302272 6.359355 6.038220 6.427778 3.927726 3.435118 3.387156 5.534828 5.654120 6.231770 2.789929 3.380784 3.263608 5.889250 5.127382 6.472697 4.447322 4.348839 4.517023 0.000000 3.054404 2.794677 4.528547 3.084491 3.653601 3.911749 4.474316 2.216672 4.450483 1.909761 2.383797 5.313395 5.593924 5.501399 5.124771 5.629799 4.437297 3.930221 3.898321 4.591696 4.773350 5.288849 3.187580 3.853049 3.383645 6.014500 5.370938 6.635169 4.219836 3.942517 4.244476 0.974164 0.000000 3.645215 4.123190 5.362746 2.987811 3.693461 4.307178 4.852973 2.148226 5.006544 3.176510 3.295920 6.220987 6.353154 6.261578 6.089668 6.275544 3.378254 3.112790 2.668545 5.876385 5.963728 6.661177 1.813808 2.424542 2.342975 5.334600 4.559253 5.812908 3.692199 3.724893 3.855332 0.981082 1.547584 0.000000 3.907134 4.620396 3.077339 6.536906 7.291531 4.407779 5.211327 6.632784 3.709021 4.888517 4.628990 2.829744 1.871669 2.805824 3.119946 1.832410 6.630059 6.533444 6.483383 4.113052 3.554147 4.861839 6.450639 7.241484 5.682662 5.212367 5.645395 5.664702 4.439636 4.276703 3.683577 6.773877 6.121959 6.559424 0.000000 4.756516 5.574508 3.857512 7.312949 8.064872 5.180988 5.932659 7.470693 4.460687 5.848945 5.557360 3.517611 2.544924 3.467122 3.884865 2.503823 7.210821 7.183355 7.114463 4.957350 4.374779 5.638180 7.163595 7.925125 6.366111 5.477842 6.046758 5.835564 5.032562 4.953501 4.274958 7.672325 7.052150 7.411693 0.964828 0.000000 3.414149 4.602208 3.012241 5.857871 6.661124 4.250766 5.124744 5.984533 3.742694 4.682613 4.420713 3.074222 2.239334 3.284729 3.598436 2.373931 5.706953 5.672270 5.578039 4.472106 3.913547 5.312954 5.653982 6.452825 4.905925 4.255949 4.679572 4.705065 3.741902 3.753946 2.889651 6.199363 5.650032 5.900826 0.984354 1.560686 0.000000 2.735127 4.620615 3.312397 4.551321 5.435410 4.205818 5.133153 4.699632 4.101459 4.353171 4.146395 3.848051 3.351393 4.337684 4.559377 3.640257 3.964930 4.029080 3.844810 5.134762 4.647602 6.059475 4.144043 4.970780 3.507855 2.762142 3.001860 3.273204 2.758441 3.128712 1.775870 5.035027 4.715504 4.596398 2.730538 3.275805 1.769642 0.000000 1.751501 3.924346 2.575457 3.748865 4.602476 4.130547 5.090319 3.899981 4.055716 3.664924 3.652086 3.279898 3.013392 4.295450 4.305111 3.693908 3.737149 3.569826 3.650700 4.539183 4.033053 5.448007 3.986854 4.899975 3.500723 3.080748 3.102502 3.779525 3.091237 3.304386 2.200029 4.344097 3.984738 4.058217 2.970131 3.685511 2.156962 0.986259 0.000000 0.978582 3.571974 2.619263 1.828320 2.501959 5.095063 5.980404 2.091922 5.194963 3.244468 3.791661 3.597053 3.956650 5.542988 5.166250 5.196885 3.505748 2.777947 3.586278 4.536828 4.090835 5.277557 4.135029 5.083098 4.156503 4.173550 3.763529 5.048328 4.572255 4.648333 3.970139 3.132376 2.911487 3.321379 4.807634 5.616214 4.229838 3.252612 2.301064 0.000000 3.182214 5.432253 3.917047 4.461431 5.328169 5.044187 5.951940 4.747883 5.026766 5.090064 4.941407 4.516768 4.081098 5.316271 5.535669 4.597543 3.427814 3.618231 3.481767 6.019980 5.483605 6.931467 4.159217 4.955942 3.649173 1.790410 2.162901 2.329495 3.172564 3.760551 2.247507 5.304054 5.151447 4.803470 3.514859 3.904160 2.538217 0.983270 1.561318 3.452436 0.000000 0.982109 2.102037 2.257848 3.066749 3.752088 3.717121 4.582228 2.845272 3.762855 1.820236 2.329082 3.080750 3.345867 4.167364 3.749085 3.996387 4.423319 3.881295 4.177801 3.229941 2.994286 4.061912 4.061425 4.969503 3.840303 4.932428 4.612087 5.692508 3.919045 3.687047 3.444141 2.968106 2.307861 3.158894 4.101536 5.027055 3.696058 3.110765 2.210425 1.559212 3.708189 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0481,.036,-1.5823;1.8792,-2.0278,-.6634;1.5027,.7716,-2.1965;-2.5617,-.9427,-2.2742;-2.8453,-1.3082,-3.1209;1.6018,-1.2778,2.337;1.9374,-1.8614,3.0284;-2.35,-1.7122,-1.6924;2.3738,-.743,2.0234;1.0112,-2.178,-.2372;1.1591,-1.9406,.7025;2.4257,1.088,-2.2761;2.5365,1.6639,-1.4936;3.6167,.1491,1.2092;3.6866,-.3713,.3841;3.232,1.0027,.9228;-3.8892,.5418,-.2803;-3.5221,.1108,-1.0767;-3.5472,-.0079,.4559;3.451,-1.2377,-1.2493;3.1675,-.4223,-1.7287;4.1726,-1.6205,-1.7628;-2.7233,-1.1123,1.6412;-3.2173,-1.4801,2.384;-1.9652,-.6071,2.0352;-2.7426,3.0249,-.0839;-3.1924,2.147,-.1325;-3.1223,3.4628,.6875;-.6421,.3343,2.564;.1466,-.2469,2.5596;-.498,.9456,1.8064;-1.7956,-2.7794,-.3945;-.8278,-2.6682,-.3953;-2.1054,-2.2518,.3725;2.434,2.4795,.1879;2.7042,3.3873,.3714;1.4568,2.4519,.3031;-.2386,1.9484,.3638;-.2245,1.2704,-.3523;-.9113,-.2186,-1.9667;-1.0803,2.4388,.2308;.2611,-.7558,-1.0904; 0.3999848 0.2499287 0.2346102 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= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.55D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 488 488 488 489 MxSgAt= 42 MxSgA2= 42. 1 9.97234861e-01 -6.92325407e-01 5.37740667e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 0.001637727 -0.000168584 -0.001252716 0.002578600 -0.000005647 -0.000316065 -0.003530933 -0.000552608 0.000285595 -0.001072437 0.002262830 -0.001335972 -0.000493378 -0.002432979 -0.001512163 -0.001918582 0.000003309 -0.000674760 0.000111215 0.000304736 0.002825125 -0.000269012 -0.000318714 0.000975459 0.000542937 0.000299525 0.000321002 -0.003604810 -0.002619551 -0.000705172 -0.000109302 0.001917288 0.001406989 0.002107533 -0.001500383 -0.001269237 0.000379460 0.003647559 0.000484356 0.000954531 0.001776185 0.001510047 0.000461747 -0.003401074 -0.000268674 -0.000333033 0.001018019 -0.003108634 -0.001684884 0.001406570 -0.002109316 0.001748604 -0.003852146 -0.000650292 0.000451204 0.000116152 0.003510829 -0.001434551 0.001022318 0.002294526 0.000235700 -0.000209022 -0.001683921 0.002197105 -0.001752141 0.000579057 -0.000401406 -0.001755888 -0.001621728 -0.002272645 0.000609833 0.001881999 -0.000237042 0.000461633 0.000297580 0.001118180 -0.000229251 -0.002412678 -0.001511026 -0.001202149 0.000730542 -0.001189556 0.003333477 -0.000239319 -0.001304599 0.002537137 0.000908286 0.002229436 -0.001146682 0.001543348 0.001197884 -0.000100748 -0.002289913 -0.001562811 -0.002060392 0.000282036 0.004970659 0.000197150 0.000863551 -0.001079342 0.002761254 -0.000148904 0.002390370 -0.002204811 0.001565002 0.001207931 0.002282914 -0.001444776 -0.002825268 0.000171745 -0.000369440 0.000869724 0.001583407 0.000260755 0.000369951 -0.001119287 -0.000597447 -0.000988332 0.000026058 -0.000333280 0.000297119 -0.000064795 0.000359986 -0.000234669 -0.001042248 0.001458334 0.004970659 0.001630966 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.74649268852 -1070.74649510094 -0.000002412421 -1070.74649510304 -0.000000002096 -1070.74649512904 -0.000000026001 -1070.74649512967 -0.000000000635 -1070.74649512968 -0.000000000008 -1070.74649513 6 1.067094417312e+03 -5.118729033170e+03 1.687146395934e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT25579.400S Tue Nov 5 05:48:12 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.827917 0.379022 0.361163 -0.765704 0.348923 -0.789331 0.345044 0.393386 0.422094 -0.773011 0.403333 -0.692990 0.353422 -0.722008 0.363260 0.383204 -0.715169 0.353392 0.370339 -0.777037 0.398943 0.350067 -0.794275 0.334360 0.460730 -0.752610 0.426586 0.311787 -0.795127 0.389505 0.396718 -0.713336 0.354506 0.388977 -0.758124 0.353128 0.391896 -0.890703 0.429319 0.430513 0.479699 0.394026 -0.00000 -19.12931 -19.12871 -19.12835 -19.12829 -19.12645 -19.12085 -19.12029 -19.11946 -19.11617 -19.11605 -19.11600 -19.11522 -19.11349 -19.11064 -1.02973 -1.02377 -1.02057 -1.01944 -1.01567 -1.01344 -1.01138 -1.00585 -1.00266 -0.99987 -0.99905 -0.99238 -0.99130 -0.98790 -0.54660 -0.54520 -0.54210 -0.53927 -0.53604 -0.53215 -0.53005 -0.52911 -0.52564 -0.52466 -0.52155 -0.52096 -0.51892 -0.51760 -0.44882 -0.43833 -0.43541 -0.42059 -0.41549 -0.41236 -0.40159 -0.39853 -0.39519 -0.39060 -0.38053 -0.38038 -0.37388 -0.36161 -0.33040 -0.32942 -0.32783 -0.32755 -0.32551 -0.32395 -0.32348 -0.32104 -0.31872 -0.31760 -0.31739 -0.31565 -0.31461 -0.31238 0.00020 0.02685 0.03848 0.04179 0.05737 0.06189 0.07413 0.08182 0.08992 0.10187 0.10378 0.10754 0.10987 0.11238 0.11704 0.12512 0.13371 0.13822 0.13969 0.14571 0.15134 0.15178 0.15422 0.16573 0.17076 0.17328 0.17710 0.17996 0.18957 0.19164 0.19375 0.19957 0.20588 0.20862 0.21044 0.21619 0.21714 0.22212 0.23002 0.23363 0.23527 0.23907 0.24294 0.24980 0.25155 0.25484 0.26149 0.26428 0.26569 0.26779 0.27026 0.27280 0.27539 0.27926 0.28199 0.28462 0.28864 0.29064 0.29269 0.29504 0.30102 0.30174 0.30504 0.31055 0.31792 0.32051 0.33494 0.34099 0.34913 0.36416 0.37646 0.39148 0.41576 0.44820 0.45285 0.45470 0.46615 0.47319 0.47879 0.49015 0.49523 0.49863 0.51984 0.52108 0.53260 0.53914 0.54654 0.55336 0.56402 0.56621 0.57013 0.57798 0.58493 0.59063 0.59331 0.59794 0.60294 0.61077 0.61748 0.62686 0.63200 0.64607 0.64920 0.66137 0.66577 0.67423 0.67994 0.68520 0.69818 0.70833 0.71690 0.72461 0.94768 0.95323 0.96061 0.96927 0.97647 0.97749 0.98215 0.98999 0.99310 1.00896 1.01904 1.02307 1.02845 1.03423 1.03833 1.04262 1.04463 1.04642 1.05706 1.06154 1.06328 1.07227 1.07381 1.07673 1.08143 1.09349 1.09790 1.10165 1.10793 1.10895 1.11470 1.12066 1.12675 1.13031 1.13417 1.14356 1.15813 1.16943 1.17210 1.17580 1.20150 1.20864 1.23827 1.25625 1.26497 1.27223 1.28326 1.28547 1.29236 1.29811 1.30554 1.31263 1.31518 1.32279 1.32578 1.33220 1.34930 1.35010 1.35858 1.37608 1.38266 1.38814 1.40052 1.40438 1.41075 1.42522 1.43324 1.44116 1.44597 1.45725 1.46523 1.47321 1.47869 1.48994 1.49681 1.51746 1.51873 1.52239 1.54670 1.55260 1.55823 1.56501 1.57386 1.58340 1.59466 1.60464 1.61858 1.62497 1.63004 1.63561 1.65226 1.65801 1.66639 1.68665 1.69247 1.70133 1.71032 1.72063 1.73882 1.76178 1.76493 1.76892 1.77404 1.78520 1.79592 1.81563 1.81878 1.83084 1.84449 1.86083 1.87779 1.89571 2.03189 2.04616 2.04787 2.05189 2.05369 2.05420 2.18903 2.20589 2.20816 2.24732 2.26315 2.27106 2.28844 2.29691 2.33389 2.33867 2.34731 2.34955 2.35546 2.37452 2.38182 2.39297 2.40824 2.42650 2.43404 2.44548 2.47161 2.50022 2.53437 2.54471 2.55143 2.57666 2.58730 2.59679 2.66607 2.67331 2.68490 2.69477 2.69873 2.70818 2.73549 2.73893 2.74217 2.75010 2.76598 2.77636 2.78615 2.79456 2.81764 2.83506 2.84494 2.85516 2.86459 2.88853 2.90336 2.92862 3.07102 3.07419 3.07848 3.08525 3.08978 3.09391 3.09890 3.10260 3.10645 3.10932 3.11294 3.11768 3.12380 3.12979 3.13244 3.13722 3.15117 3.15455 3.15872 3.16333 3.16411 3.16902 3.17661 3.18300 3.18655 3.19057 3.19814 3.21656 3.30304 3.30608 3.31562 3.31674 3.31758 3.32898 3.33202 3.34555 3.35938 3.36406 3.37138 3.37439 3.38549 3.40774 3.68653 3.68927 3.69473 3.70995 3.71440 3.73087 3.73583 3.73814 3.74339 3.75498 3.75829 3.76669 3.77490 3.79461 3.90010 3.91800 3.92166 3.92548 3.92778 3.93239 3.93672 3.94672 3.94868 3.96438 3.96800 3.98564 3.99762 4.00848 5.00795 5.01147 5.02067 5.02706 5.03257 5.03812 5.03964 5.04485 5.05175 5.05845 5.06092 5.08278 5.11691 5.14927 5.38368 5.40074 5.41033 5.43508 5.43825 5.44751 5.45796 5.46166 5.47655 5.48494 5.50460 5.50658 5.53179 5.58997 5.65147 5.66242 5.66996 5.67142 5.67778 5.68100 5.69395 5.69763 5.70985 5.74266 5.75059 5.75723 5.77943 5.81722 49.88070 49.90824 49.91021 49.91816 49.92126 49.92360 49.92679 49.93506 49.93998 49.95300 49.95982 49.96448 49.97129 49.98997 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.796143 0.399143 0.363335 -0.756576 0.354131 -0.778863 0.350962 0.382527 0.410606 -0.781081 0.389698 -0.717542 0.367623 -0.737878 0.369374 0.389270 -0.732800 0.366894 0.371926 -0.775067 0.394196 0.356853 -0.776831 0.341062 0.433310 -0.749250 0.414260 0.315821 -0.803246 0.399842 0.399663 -0.741814 0.376317 0.392923 -0.757059 0.361640 0.384577 -0.850380 0.404410 0.421495 0.463128 0.379543 -0.00000 1.03117934e+00 -7.14934960e-01 5.90338965e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.6210 -1.8172 1.5005 3.5247 -98.7783 -93.7001 -90.3383 -0.8648 -4.7564 5.4869 -4.5061 0.5721 3.9339 -0.8648 -4.7564 5.4869 55.8846 79.4527 -3.6842 51.3825 -42.5072 -0.8680 -43.6300 -73.2525 46.1067 -4.3045 -3667.0383 -1676.3357 -1302.0562 -47.8158 -308.8044 14.8114 79.5417 155.7185 -11.9985 -688.3906 -636.1039 -429.3775 116.6784 -43.2198 -25.8442 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.7464951 6.047E-9 1.723E-5 -2.3518737,5.7222025,-3.3703289,-3.2818238,-1.9655207,0.2980655 C01 [X(H28O14)] 0.7980123 -0.0516509 1.132904 0.000006640 -0.000004682 0.000028502 -0.000017393 -0.000006069 -0.000009712 0.000021910 -0.000003977 0.000002187 0.000067676 -0.000006177 -0.000017745 -0.000032304 0.000003470 -0.000004167 -0.000019258 0.000005724 -0.000006104 0.000009666 -0.000011658 0.000006492 -0.000025867 0.000008108 0.000041864 0.000017749 -0.000000299 -0.000009759 0.000000137 -0.000010293 0.000020159 0.000007683 -0.000007736 0.000007559 0.000028838 -0.000008853 0.000004397 -0.000034834 0.000009657 -0.000021989 0.000014893 0.000014024 0.000006026 -0.000010254 -0.000011947 0.000001707 -0.000009006 -0.000002856 -0.000033126 0.000015126 0.000024209 -0.000015161 -0.000038666 -0.000020464 0.000033756 -0.000011915 -0.000007799 -0.000024165 0.000029476 0.000013689 0.000012305 -0.000019642 -0.000003925 0.000002525 -0.000001716 -0.000007188 -0.000001503 -0.000028657 -0.000021127 0.000009919 -0.000002644 0.000008385 0.000001580 0.000049610 0.000012135 0.000017211 0.000014521 0.000001306 0.000005832 -0.000003429 -0.000006216 0.000004975 -0.000005581 0.000002879 -0.000002427 -0.000023659 -0.000014299 -0.000004404 -0.000003732 0.000009581 -0.000002146 0.000013718 0.000010255 0.000001617 0.000001661 -0.000020961 -0.000007856 0.000014442 -0.000001567 0.000006183 0.000002717 0.000028052 -0.000013691 0.000031870 0.000003248 0.000038203 -0.000005990 0.000002442 -0.000015646 -0.000027954 0.000002348 0.000001561 0.000005953 0.000004312 0.000003284 -0.000005041 0.000006483 -0.000015533 0.000003516 0.000023579 -0.000004563 -0.000015498 -0.000006435 -0.000014184 -0.000014762 -0.000009355 -0.000033959 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.852,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4458;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; Gaussian 16 GINC-GALAPAGAR LAMSABHI Optimization 14H2O CONF2 water EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.8519,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4459;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; Optimization 14H2O CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF2/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 1 1 1 1 2 2 3 4 4 4 4 6 6 6 6 8 9 10 10 12 12 13 14 14 15 16 17 17 17 19 20 20 23 23 23 25 26 26 26 29 29 31 32 32 35 35 37 38 38 3 39 40 42 10 20 12 5 8 18 40 7 9 11 30 32 14 11 42 13 21 35 15 16 20 35 18 19 27 23 21 22 24 25 34 29 27 28 41 30 31 38 33 34 36 37 38 39 41 1.823 1.7515 0.9786 0.9821 0.9787 1.8541 0.979 0.9648 0.9876 1.8618 1.8283 0.965 0.9901 1.8185 1.7973 1.7695 1.7331 0.9804 1.8202 0.9778 1.7695 1.8717 0.978 0.9791 1.8639 1.8324 0.9772 0.9804 1.7562 1.8175 0.9875 0.9649 0.965 0.9925 1.8138 1.7078 0.9876 0.9649 1.7904 0.9797 0.9842 1.7759 0.9742 0.9811 0.9648 0.9844 1.7696 0.9863 0.9833 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 3 3 3 39 39 40 10 1 5 5 5 8 8 18 7 7 7 9 9 11 2 2 11 3 3 13 12 9 9 15 18 18 19 4 2 2 2 15 15 21 19 19 19 24 24 25 27 27 28 25 25 30 8 8 33 13 13 13 16 16 36 31 31 31 37 37 39 1 1 1 1 1 1 2 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 12 12 12 13 14 14 14 17 17 17 18 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 39 40 42 40 42 42 20 12 8 18 40 18 40 40 9 11 30 11 30 30 11 42 42 13 21 21 35 15 16 16 19 27 27 17 15 21 22 21 22 22 24 25 34 25 34 34 28 41 41 30 31 31 33 34 34 16 36 37 36 37 37 37 39 41 39 41 41 92.1706 136.3016 103.0736 111.7366 104.3675 105.355 162.7315 163.7072 106.5439 128.8437 124.26 99.9376 90.9192 97.6632 106.4051 120.5484 122.6679 95.8535 111.1404 97.081 104.2632 92.3729 108.7993 103.4245 95.4073 101.9847 165.7735 100.0064 107.7175 104.1882 103.5145 108.8251 108.1128 165.3794 91.6241 105.1866 129.281 94.4694 123.8008 106.4861 120.1006 107.205 94.5915 106.2253 118.2565 109.7124 105.2759 98.0834 111.9218 107.1755 102.5598 104.3043 103.992 98.635 104.6519 89.157 124.4409 98.4666 124.0635 111.2735 106.3873 109.1779 101.756 105.4569 99.0347 132.3437 104.8839 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 1 4 6 6 14 14 17 12 23 17 6 29 23 35 1 1 26 1 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 42 8 9 11 15 16 19 21 25 27 30 31 34 37 39 40 41 42 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 10 32 14 10 20 35 23 20 29 26 29 38 32 38 38 4 38 10 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 8 1 1 13 11 4 1 8 1 1 1 2 1 2 6 23 4 8 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 168.8681 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 171.1192 170.8593 172.4941 173.7679 172.0013 172.8381 174.9222 175.8665 173.1198 176.5427 174.9006 164.4498 176.3058 166.2059 169.8357 185.2752 170.9091 183.6343 177.6153 170.2677 184.6639 183.3604 190.6757 177.6329 179.4004 180.878 177.8771 185.1424 181.4735 176.2894 186.3897 184.0352 177.0215 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 39 40 42 3 3 3 39 39 39 42 42 42 3 3 39 39 40 40 3 3 3 40 40 40 42 42 42 20 20 10 10 10 1 1 5 5 18 18 40 40 5 8 40 7 7 9 9 30 30 7 7 11 11 30 30 7 7 9 9 11 11 3 21 3 3 3 13 13 13 12 12 12 9 9 9 16 16 16 9 9 9 15 15 15 19 27 18 18 18 27 27 27 18 18 19 19 19 19 24 24 34 34 19 19 24 24 25 25 27 27 27 28 28 28 25 25 25 30 30 30 13 13 13 16 16 16 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 23 23 23 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 3 3 3 4 4 4 4 4 4 4 4 4 10 10 10 10 10 10 38 38 38 38 38 38 38 38 38 10 10 20 20 20 12 12 32 32 32 32 32 32 18 18 18 10 10 10 10 10 10 14 14 14 14 14 14 29 29 29 29 29 29 13 13 20 20 20 20 20 20 35 35 35 20 20 20 20 20 20 35 35 35 35 35 35 18 18 23 23 23 23 23 23 26 26 26 26 29 29 29 29 29 29 32 32 32 32 32 32 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 12 12 12 5 8 18 5 8 18 5 8 18 2 11 2 11 2 11 31 37 41 31 37 41 31 37 41 11 42 15 21 22 13 21 33 34 33 34 33 34 17 17 17 2 42 2 42 2 42 15 16 15 16 15 16 25 31 25 31 25 31 35 35 2 15 22 2 15 22 16 36 37 2 21 22 2 21 22 13 36 37 13 36 37 4 4 24 25 34 24 25 34 28 41 28 41 30 31 30 31 30 31 8 33 8 33 8 33 31 37 39 31 37 39 37 39 41 37 39 41 31 39 41 31 39 41 31 39 41 66.4165 -168.4066 -38.8749 25.1003 133.1994 -127.1966 150.9465 -100.9544 -1.3504 -101.0274 7.0717 106.6757 -12.4519 92.7577 -107.2006 -1.9909 133.2348 -121.5555 -129.3912 -18.4041 120.0811 87.8331 -161.1798 -22.6945 -25.718 85.269 -136.2457 -55.3596 54.7199 40.6208 -54.4551 178.538 -54.5068 49.2045 106.2912 -147.614 -116.253 -10.1582 -19.0143 87.0806 147.091 26.2768 -66.016 -90.5253 174.3179 20.9456 -74.2111 132.6691 37.5124 103.3292 -149.482 -19.6115 87.5773 -117.1513 -9.9625 -89.7424 163.7677 141.6851 35.1952 43.5546 -62.9354 29.1335 -69.4765 -10.0354 -101.5031 131.3776 94.0301 2.5623 -124.5569 68.4935 -159.5055 -42.8937 11.3573 116.5224 -130.7702 -97.7458 7.4193 120.1267 -105.4621 123.1274 -7.6619 -1.7943 -133.2049 96.0058 -11.6445 103.1744 -133.668 103.4098 -7.8616 113.2351 -9.687 -120.9584 178.397 -66.2964 -70.525 44.7817 -134.5341 -25.7309 95.6405 -155.5563 -34.6808 74.1223 6.8997 112.5934 134.0114 -120.2949 -102.2777 3.4159 -55.9459 163.9406 48.4625 52.8265 -87.287 157.235 -153.0921 -49.5699 59.3028 -42.4064 61.1159 169.9885 120.5291 16.7624 -100.4184 31.0143 -72.7524 170.0668 -109.3063 146.927 29.7462 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00021 0.00024 0.00031 0.00036 0.00046 0.00067 0.00085 0.00087 0.00108 0.00117 0.00120 0.00143 0.00162 0.00183 0.00205 0.00222 0.00253 0.00278 0.00298 0.00313 0.00384 0.00413 0.00426 0.00447 0.00467 0.00486 0.00529 0.00536 0.00558 0.00576 0.00611 0.00626 0.00682 0.00714 0.00740 0.00753 0.00791 0.00800 0.00824 0.00830 0.00857 0.00873 0.00896 0.00937 0.00942 0.00960 0.01010 0.01015 0.01019 0.01073 0.01122 0.01165 0.01190 0.01200 0.01231 0.01248 0.01276 0.01289 0.01307 0.01352 0.01445 0.01458 0.01492 0.01523 0.01545 0.01587 0.01614 0.01664 0.01693 0.01820 0.01866 0.01923 0.01941 0.01955 0.02031 0.02092 0.03353 0.03448 0.03708 0.03744 0.03989 0.04254 0.04314 0.04451 0.04566 0.04704 0.04885 0.05095 0.05261 0.05502 0.05825 0.09379 0.31382 0.32655 0.33228 0.37117 0.38007 0.40281 0.41254 0.41955 0.42774 0.42992 0.43257 0.43527 0.44162 0.44578 0.44725 0.45763 0.46364 0.46695 0.46863 0.46924 0.47221 0.48126 0.52718 0.52731 0.52736 0.52738 0.52756 0.52805 Angle between quadratic step and forces= 69.64 degrees. 1 2 3 0.00464100 0.00003655 0.00000001 0.00004645 0.00001585 0.00001585 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 3.44498 3.30986 1.84925 1.85592 1.84941 3.50381 1.85011 1.82328 1.86639 3.51834 3.45502 1.82356 1.87106 3.43647 3.39631 3.34384 3.27502 1.85270 3.43975 1.84785 3.34378 3.53694 1.84815 1.85031 3.52225 3.46275 1.84655 1.85261 3.31869 3.43464 1.86609 1.82332 1.82359 1.87565 3.42760 3.22722 1.86626 1.82340 3.38338 1.85141 1.85978 3.35591 1.84090 1.85398 1.82326 1.86016 3.34414 1.86376 1.85811 1.60868 2.37891 1.79897 1.95017 1.82156 1.83879 2.84020 2.85723 1.85954 2.24875 2.16875 1.74424 1.58684 1.70454 1.85712 2.10397 2.14096 1.67296 1.93977 1.69438 1.81974 1.61221 1.89891 1.80510 1.66517 1.77997 2.89329 1.74544 1.88002 1.81843 1.80667 1.89936 1.88693 2.88641 1.59914 1.83585 2.25638 1.64880 2.16073 1.85853 2.09615 1.87108 1.65093 1.85398 2.06397 1.91484 1.83741 1.71188 1.95340 1.87056 1.79001 1.82045 1.81500 1.72151 1.82652 1.55608 2.17190 1.71857 2.16532 1.94209 1.85681 1.90551 1.77598 1.84057 1.72848 2.30983 1.83057 2.94730 2.98659 2.98206 3.01059 3.03282 3.00199 3.01659 3.05297 3.06945 3.02151 3.08125 3.05259 2.87019 3.07712 2.90084 2.96419 3.23366 2.98293 3.20502 3.09997 2.97173 3.22299 3.20024 3.32792 3.10028 3.13113 3.15692 3.10454 3.23134 3.16731 3.07683 3.25311 3.21202 3.08961 1.15919 -2.93925 -0.67849 0.43808 2.32477 -2.22000 2.63451 -1.76199 -0.02357 -1.76326 0.12342 1.86184 -0.21733 1.61893 -1.87100 -0.03475 2.32539 -2.12154 -2.25830 -0.32121 2.09581 1.53298 -2.81312 -0.39609 -0.44886 1.48823 -2.37794 -0.96621 0.95504 0.70897 -0.95042 3.11608 -0.95132 0.85878 1.85513 -2.57635 -2.02900 -0.17729 -0.33186 1.51984 2.56722 0.45862 -1.15220 -1.57997 3.04242 0.36557 -1.29523 2.31551 0.65471 1.80343 -2.60895 -0.34229 1.52851 -2.04468 -0.17388 -1.56630 2.85828 2.47287 0.61427 0.76017 -1.09843 0.50848 -1.21259 -0.17515 -1.77156 2.29297 1.64114 0.04472 -2.17393 1.19544 -2.78390 -0.74864 0.19822 2.03370 -2.28237 -1.70599 0.12949 2.09661 -1.84066 2.14898 -0.13373 -0.03132 -2.32486 1.67562 -0.20323 1.80073 -2.33295 1.80484 -0.13721 1.97633 -0.16907 -2.11112 3.11361 -1.15709 -1.23089 0.78159 -2.34806 -0.44909 1.66924 -2.71497 -0.60529 1.29368 0.12042 1.96513 2.33894 -2.09954 -1.78508 0.05962 -0.97644 2.86130 0.84583 0.92200 -1.52345 2.74427 -2.67196 -0.86516 1.03503 -0.74013 1.06667 2.96686 2.10363 0.29256 -1.75263 0.54130 -1.26977 2.96822 -1.90775 2.56436 0.51917 0.00002 0.00001 -0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00002 0.00001 0.00001 0.00000 0.00001 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -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 0.00001 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 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 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 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00292 0.00134 -0.00021 -0.00015 -0.00004 0.00154 -0.00022 0.00003 0.00021 -0.00219 0.00184 0.00003 0.00009 -0.00027 0.00027 -0.00185 -0.00039 0.00007 0.00216 0.00009 -0.00029 -0.00053 -0.00001 0.00006 0.00013 -0.00167 0.00029 -0.00015 -0.00022 0.00195 0.00001 0.00001 -0.00000 0.00017 -0.00088 -0.00113 0.00006 0.00002 -0.00161 -0.00003 0.00004 -0.00036 -0.00001 0.00010 0.00002 0.00009 -0.00093 -0.00008 0.00012 -0.00062 0.00481 -0.00015 -0.00452 -0.00071 0.00001 -0.00096 -0.00169 -0.00017 -0.01573 0.01177 -0.00432 0.00114 0.00816 -0.00019 -0.00318 0.00156 0.00109 -0.00118 0.00169 -0.00037 -0.00052 0.00083 -0.00011 0.00052 0.00147 0.00201 -0.00165 -0.00154 0.00016 -0.00029 -0.00274 0.00037 0.00353 0.00286 -0.00199 -0.00166 -0.00138 0.00186 -0.00013 0.00148 -0.00018 -0.00063 0.00004 0.00085 -0.00191 0.00006 0.00075 0.00058 -0.00117 0.00070 0.00012 0.00073 0.00052 0.00041 -0.00138 -0.00355 -0.00101 0.00296 0.00242 -0.00012 -0.00539 0.00317 0.00065 0.00075 0.00182 0.00031 0.00027 0.00059 0.00097 -0.00089 0.00074 -0.00238 0.00066 0.00002 -0.00083 -0.00093 0.00105 0.00163 0.00060 -0.00022 -0.00362 0.00124 0.00169 0.00100 -0.00073 -0.00016 -0.00005 -0.00149 0.00129 -0.00068 -0.00037 -0.00061 -0.00079 -0.00042 0.00112 0.00076 0.00051 -0.00030 -0.00003 0.00091 -0.00350 -0.00798 -0.00260 0.00250 0.00506 0.00040 -0.00083 0.00172 -0.00293 -0.00368 -0.00112 -0.00578 -0.00271 -0.00334 -0.00160 -0.00223 0.00374 0.00310 0.00466 -0.00016 0.00270 0.00183 -0.00300 -0.00013 0.00433 -0.00049 0.00238 0.01079 0.01146 -0.01048 -0.00972 -0.00549 0.00205 0.00370 0.01750 0.01824 -0.00498 -0.00424 0.00358 0.00433 0.00345 0.01896 0.01693 0.00017 0.00049 -0.00016 0.00015 -0.00096 -0.00065 -0.00398 -0.00464 -0.00108 -0.00174 -0.00346 -0.00413 0.00573 0.00548 0.00533 0.00507 0.00381 0.00356 0.00894 0.00802 -0.00187 -0.00459 -0.00584 -0.00166 -0.00439 -0.00563 -0.00482 -0.00419 -0.00701 0.00138 -0.00052 -0.00111 0.00340 0.00150 0.00090 0.00061 0.00471 -0.00078 -0.00126 0.00284 -0.00265 -0.01727 -0.01815 0.00031 -0.00130 0.00127 0.00406 0.00245 0.00502 -0.00042 0.00064 -0.00198 -0.00093 -0.00319 -0.00311 -0.00488 -0.00480 -0.00461 -0.00453 0.00175 0.00295 0.00332 0.00453 0.00243 0.00363 0.00280 0.01080 0.00668 0.00356 0.01156 0.00744 -0.00326 -0.00243 -0.00078 -0.00409 -0.00326 -0.00161 0.00250 -0.00039 -0.00285 0.00415 0.00127 -0.00120 -0.00286 -0.00574 -0.00821 0.00292 0.00134 -0.00021 -0.00014 -0.00004 0.00154 -0.00022 0.00003 0.00021 -0.00220 0.00184 0.00003 0.00008 -0.00027 0.00027 -0.00184 -0.00040 0.00007 0.00217 0.00010 -0.00029 -0.00052 -0.00001 0.00006 0.00013 -0.00167 0.00028 -0.00016 -0.00022 0.00194 0.00001 0.00001 -0.00000 0.00017 -0.00088 -0.00113 0.00006 0.00002 -0.00161 -0.00004 0.00005 -0.00035 -0.00001 0.00010 0.00002 0.00009 -0.00092 -0.00009 0.00011 -0.00060 0.00480 -0.00016 -0.00451 -0.00072 -0.00001 -0.00096 -0.00169 -0.00024 -0.01579 0.01181 -0.00434 0.00114 0.00812 -0.00019 -0.00317 0.00156 0.00109 -0.00118 0.00169 -0.00037 -0.00052 0.00083 -0.00011 0.00052 0.00146 0.00200 -0.00165 -0.00154 0.00016 -0.00029 -0.00278 0.00038 0.00354 0.00286 -0.00199 -0.00166 -0.00138 0.00186 -0.00013 0.00148 -0.00019 -0.00064 0.00004 0.00085 -0.00190 0.00006 0.00075 0.00059 -0.00118 0.00071 0.00012 0.00073 0.00052 0.00041 -0.00139 -0.00355 -0.00100 0.00296 0.00241 -0.00013 -0.00539 0.00318 0.00064 0.00075 0.00182 0.00030 0.00027 0.00059 0.00097 -0.00089 0.00074 -0.00239 0.00066 -0.00000 -0.00084 -0.00093 0.00104 0.00165 0.00060 -0.00022 -0.00363 0.00122 0.00169 0.00101 -0.00073 -0.00016 -0.00005 -0.00149 0.00128 -0.00068 -0.00036 -0.00062 -0.00080 -0.00041 0.00113 0.00076 0.00051 -0.00030 -0.00003 0.00091 -0.00351 -0.00797 -0.00259 0.00255 0.00508 0.00041 -0.00080 0.00173 -0.00293 -0.00365 -0.00112 -0.00579 -0.00270 -0.00334 -0.00160 -0.00224 0.00373 0.00309 0.00467 -0.00015 0.00272 0.00183 -0.00300 -0.00013 0.00434 -0.00048 0.00238 0.01079 0.01146 -0.01048 -0.00972 -0.00549 0.00206 0.00370 0.01751 0.01826 -0.00497 -0.00422 0.00356 0.00431 0.00362 0.01890 0.01691 0.00017 0.00049 -0.00017 0.00015 -0.00097 -0.00065 -0.00398 -0.00464 -0.00108 -0.00174 -0.00346 -0.00413 0.00573 0.00548 0.00533 0.00507 0.00381 0.00356 0.00895 0.00802 -0.00187 -0.00459 -0.00584 -0.00166 -0.00438 -0.00563 -0.00482 -0.00420 -0.00701 0.00139 -0.00052 -0.00112 0.00341 0.00150 0.00090 0.00061 0.00472 -0.00078 -0.00126 0.00285 -0.00265 -0.01724 -0.01812 0.00029 -0.00133 0.00124 0.00407 0.00246 0.00503 -0.00041 0.00066 -0.00198 -0.00091 -0.00318 -0.00310 -0.00489 -0.00481 -0.00461 -0.00454 0.00174 0.00295 0.00332 0.00452 0.00243 0.00364 0.00281 0.01081 0.00669 0.00356 0.01156 0.00744 -0.00323 -0.00242 -0.00077 -0.00408 -0.00326 -0.00162 0.00249 -0.00040 -0.00286 0.00415 0.00127 -0.00120 -0.00286 -0.00575 -0.00821 3.44791 3.31120 1.84904 1.85577 1.84937 3.50535 1.84989 1.82331 1.86660 3.51614 3.45687 1.82359 1.87114 3.43620 3.39658 3.34200 3.27462 1.85277 3.44191 1.84795 3.34349 3.53642 1.84814 1.85037 3.52238 3.46108 1.84683 1.85246 3.31847 3.43658 1.86610 1.82333 1.82359 1.87581 3.42672 3.22609 1.86631 1.82342 3.38177 1.85137 1.85983 3.35556 1.84090 1.85407 1.82328 1.86025 3.34322 1.86367 1.85823 1.60807 2.38371 1.79881 1.94567 1.82083 1.83878 2.83924 2.85554 1.85930 2.23295 2.18055 1.73990 1.58798 1.71267 1.85693 2.10079 2.14252 1.67405 1.93859 1.69608 1.81937 1.61169 1.89974 1.80499 1.66569 1.78143 2.89530 1.74379 1.87848 1.81859 1.80638 1.89658 1.88730 2.88995 1.60200 1.83386 2.25472 1.64742 2.16259 1.85840 2.09763 1.87089 1.65030 1.85402 2.06481 1.91294 1.83747 1.71262 1.95400 1.86939 1.79072 1.82058 1.81573 1.72203 1.82693 1.55470 2.16836 1.71756 2.16827 1.94450 1.85668 1.90012 1.77916 1.84121 1.72923 2.31166 1.83087 2.94758 2.98719 2.98302 3.00970 3.03356 2.99960 3.01725 3.05296 3.06861 3.02058 3.08229 3.05424 2.87079 3.07690 2.89721 2.96541 3.23535 2.98394 3.20430 3.09981 2.97168 3.22150 3.20152 3.32724 3.09992 3.13051 3.15612 3.10413 3.23248 3.16807 3.07734 3.25282 3.21199 3.09052 1.15568 -2.94722 -0.68109 0.44063 2.32984 -2.21959 2.63371 -1.76026 -0.02650 -1.76691 0.12230 1.85605 -0.22003 1.61559 -1.87260 -0.03698 2.32911 -2.11845 -2.25363 -0.32136 2.09853 1.53480 -2.81612 -0.39622 -0.44453 1.48774 -2.37555 -0.95542 0.96650 0.69849 -0.96014 3.11058 -0.94926 0.86248 1.87264 -2.55809 -2.03396 -0.18151 -0.32830 1.52415 2.57084 0.47752 -1.13529 -1.57980 3.04291 0.36540 -1.29508 2.31455 0.65407 1.79945 -2.61359 -0.34337 1.52677 -2.04814 -0.17800 -1.56057 2.86376 2.47820 0.61935 0.76398 -1.09487 0.51742 -1.20457 -0.17702 -1.77615 2.28713 1.63947 0.04034 -2.17956 1.19061 -2.78809 -0.75565 0.19961 2.03318 -2.28349 -1.70258 0.13099 2.09751 -1.84005 2.15369 -0.13450 -0.03258 -2.32202 1.67297 -0.22047 1.78262 -2.33266 1.80352 -0.13597 1.98040 -0.16661 -2.10609 3.11321 -1.15643 -1.23288 0.78068 -2.35124 -0.45219 1.66436 -2.71978 -0.60991 1.28914 0.12216 1.96807 2.34226 -2.09502 -1.78265 0.06326 -0.97363 2.87211 0.85252 0.92556 -1.51188 2.75171 -2.67520 -0.86758 1.03426 -0.74421 1.06341 2.96524 2.10612 0.29216 -1.75550 0.54545 -1.26850 2.96703 -1.91061 2.55861 0.51096 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000007 0.034130 0.004662 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.365291e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.7730350809 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452183836 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.969563 0.000000 1.823007 3.213868 0.000000 2.784717 4.847100 4.411799 0.000000 3.463844 5.373871 4.907612 0.964841 0.000000 4.450792 3.105130 4.976250 6.221814 7.040377 0.000000 5.366681 3.696016 5.867001 7.014595 7.809935 0.964988 0.000000 2.892606 4.364113 4.611600 0.987649 1.564947 5.660620 6.378991 0.000000 4.412893 3.018967 4.567350 6.547420 7.349990 0.990120 1.565641 6.087827 0.000000 2.798805 0.978666 3.575048 4.294323 4.893360 2.790271 3.409148 3.692242 3.004366 0.000000 3.253425 1.546536 3.984790 4.868419 5.572606 1.818503 2.453976 4.254683 2.157439 0.980406 0.000000 2.776346 3.550750 0.979036 5.385020 5.851433 5.249448 6.088927 5.566879 4.673416 4.101865 4.432712 0.000000 3.055881 3.840552 1.535971 5.778900 6.359669 4.919439 5.764970 5.942752 4.264826 4.320375 4.439882 0.977842 0.000000 4.608326 3.356222 4.056609 7.176320 7.914006 2.714357 3.189236 6.891050 1.733065 3.781041 3.265475 3.800986 3.281280 0.000000 4.240366 2.666048 3.568654 6.814289 7.471841 2.997010 3.503203 6.523133 2.132841 3.287586 2.992046 3.285693 2.998365 0.977997 0.000000 4.239029 3.678277 3.574128 6.897285 7.656714 3.139745 3.783123 6.735683 2.234963 4.048999 3.606696 3.300047 2.599990 0.979142 1.544223 0.000000 4.087215 6.326542 5.726902 2.818149 3.547083 6.349265 7.118508 3.073124 6.795820 5.604773 5.710917 6.645321 6.634867 7.662405 7.659528 7.236821 0.000000 3.511406 5.824049 5.190293 1.861824 2.578887 6.311656 7.109775 2.253111 6.715779 5.147299 5.411886 6.145761 6.268412 7.496027 7.371037 7.100114 0.977153 0.000000 4.049681 5.897411 5.757108 3.049389 3.870066 5.627081 6.335212 2.992242 6.168935 5.095967 5.093743 6.658886 6.603569 7.205156 7.243293 6.869987 0.980361 1.537423 0.000000 3.738568 1.854135 2.954754 6.106554 6.568936 4.035145 4.580209 5.837247 3.480730 2.803778 3.091272 2.741278 3.052096 2.827512 1.863893 3.128150 7.614751 7.104411 7.307180 0.000000 3.251434 2.317809 2.101422 5.778620 6.235121 4.440016 5.120020 5.666460 3.848568 3.155503 3.499974 1.769454 2.192194 3.026541 2.176258 3.010912 7.268109 6.742466 7.073341 0.987493 0.000000 4.537690 2.575669 3.610878 6.787596 7.154867 4.851288 5.292451 6.523645 4.282673 3.554297 3.906554 3.263565 3.679158 3.503340 2.531004 3.870196 8.477397 7.916861 8.192587 0.964861 1.564249 0.000000 4.343468 5.228037 6.011281 3.922385 4.767680 4.383859 4.920173 3.407662 5.124710 4.313937 4.079275 6.833623 6.723041 6.478683 6.573882 6.360362 2.790599 3.085622 1.817533 6.818488 6.821574 7.707029 0.000000 5.298509 5.963383 6.951979 4.734771 5.520207 4.823634 5.208883 4.174186 5.651019 5.023754 4.710972 7.756026 7.617565 7.123109 7.272795 7.063484 3.411467 3.821095 2.448245 7.597764 7.668130 8.475086 0.965000 0.000000 4.144269 4.907211 5.642188 4.363414 5.277456 3.642107 4.217911 3.907001 4.341162 4.060840 3.649132 6.382839 6.154271 5.693168 5.892778 5.553333 3.222273 3.552916 2.314259 6.365576 6.367599 7.288658 0.992550 1.565770 0.000000 4.294053 6.872160 5.250000 4.535628 5.292425 6.576322 7.447461 5.018141 6.694379 6.417505 6.363817 5.938705 5.631005 7.098120 7.286085 6.387341 2.742078 3.175693 3.183776 7.608407 7.036886 8.498075 4.482456 5.158566 4.276184 0.000000 4.055293 6.590388 5.310003 3.812019 4.581510 6.388521 7.237023 4.247025 6.631967 6.032216 6.028484 6.105751 5.908206 7.221974 7.343694 6.610324 1.756176 2.268581 2.261807 7.539151 7.042633 8.431821 3.740216 4.414699 3.713474 0.987580 0.000000 5.132782 7.548923 6.078657 5.338021 6.110931 6.892813 7.708869 5.748157 7.048349 7.053992 6.894002 6.723264 6.325724 7.527722 7.819986 6.817885 3.171263 3.808933 3.504226 8.309814 7.777748 9.222688 4.690386 5.226745 4.440527 0.964901 1.551926 0.000000 4.199283 4.727901 5.239679 5.359508 6.314316 2.772333 3.419191 5.022247 3.247850 4.109973 3.447498 5.779818 5.323128 4.472983 4.897730 4.260146 4.321680 4.647524 3.605671 5.810844 5.789102 6.761968 2.697333 3.155336 1.707774 4.320027 4.130533 4.411286 0.000000 4.156101 4.069556 5.049438 5.584332 6.507374 1.797252 2.456336 5.143948 2.343932 3.506935 2.709769 5.509986 5.078475 3.744607 4.156910 3.709439 4.997473 5.177853 4.257554 5.138876 5.248477 6.064538 3.135062 3.587141 2.205564 5.102909 4.911942 5.286894 0.979725 0.000000 3.537351 4.537837 4.478379 4.947310 5.904887 3.103949 3.912026 4.768222 3.338488 4.026241 3.506422 5.023386 4.540216 4.233419 4.611684 3.833586 4.002217 4.260808 3.468534 5.449581 5.272943 6.413883 3.035506 3.689534 2.148491 3.596473 3.530244 3.804544 0.984152 1.550763 0.000000 3.520110 3.760572 5.170675 2.737517 3.271073 4.610689 5.147313 1.769483 5.232321 2.874808 3.261519 6.026401 6.302272 6.359355 6.038220 6.427778 3.927726 3.435118 3.387156 5.534828 5.654120 6.231770 2.789929 3.380784 3.263608 5.889250 5.127382 6.472697 4.447322 4.348839 4.517023 0.000000 3.054404 2.794677 4.528547 3.084491 3.653601 3.911749 4.474316 2.216672 4.450483 1.909761 2.383797 5.313395 5.593924 5.501399 5.124771 5.629799 4.437297 3.930221 3.898321 4.591696 4.773350 5.288849 3.187580 3.853049 3.383645 6.014500 5.370938 6.635169 4.219836 3.942517 4.244476 0.974164 0.000000 3.645215 4.123190 5.362746 2.987811 3.693461 4.307178 4.852973 2.148226 5.006544 3.176510 3.295920 6.220987 6.353154 6.261578 6.089668 6.275544 3.378254 3.112790 2.668545 5.876385 5.963728 6.661177 1.813808 2.424542 2.342975 5.334600 4.559253 5.812908 3.692199 3.724893 3.855332 0.981082 1.547584 0.000000 3.907134 4.620396 3.077339 6.536906 7.291531 4.407779 5.211327 6.632784 3.709021 4.888517 4.628990 2.829744 1.871669 2.805824 3.119946 1.832410 6.630059 6.533444 6.483383 4.113052 3.554147 4.861839 6.450639 7.241484 5.682662 5.212367 5.645395 5.664702 4.439636 4.276703 3.683577 6.773877 6.121959 6.559424 0.000000 4.756516 5.574508 3.857512 7.312949 8.064872 5.180988 5.932659 7.470693 4.460687 5.848945 5.557360 3.517611 2.544924 3.467122 3.884865 2.503823 7.210821 7.183355 7.114463 4.957350 4.374779 5.638180 7.163595 7.925125 6.366111 5.477842 6.046758 5.835564 5.032562 4.953501 4.274958 7.672325 7.052150 7.411693 0.964828 0.000000 3.414149 4.602208 3.012241 5.857871 6.661124 4.250766 5.124744 5.984533 3.742694 4.682613 4.420713 3.074222 2.239334 3.284729 3.598436 2.373931 5.706953 5.672270 5.578039 4.472106 3.913547 5.312954 5.653982 6.452825 4.905925 4.255949 4.679572 4.705065 3.741902 3.753946 2.889651 6.199363 5.650032 5.900826 0.984354 1.560686 0.000000 2.735127 4.620615 3.312397 4.551321 5.435410 4.205818 5.133153 4.699632 4.101459 4.353171 4.146395 3.848051 3.351393 4.337684 4.559377 3.640257 3.964930 4.029080 3.844810 5.134762 4.647602 6.059475 4.144043 4.970780 3.507855 2.762142 3.001860 3.273204 2.758441 3.128712 1.775870 5.035027 4.715504 4.596398 2.730538 3.275805 1.769642 0.000000 1.751501 3.924346 2.575457 3.748865 4.602476 4.130547 5.090319 3.899981 4.055716 3.664924 3.652086 3.279898 3.013392 4.295450 4.305111 3.693908 3.737149 3.569826 3.650700 4.539183 4.033053 5.448007 3.986854 4.899975 3.500723 3.080748 3.102502 3.779525 3.091237 3.304386 2.200029 4.344097 3.984738 4.058217 2.970131 3.685511 2.156962 0.986259 0.000000 0.978582 3.571974 2.619263 1.828320 2.501959 5.095063 5.980404 2.091922 5.194963 3.244468 3.791661 3.597053 3.956650 5.542988 5.166250 5.196885 3.505748 2.777947 3.586278 4.536828 4.090835 5.277557 4.135029 5.083098 4.156503 4.173550 3.763529 5.048328 4.572255 4.648333 3.970139 3.132376 2.911487 3.321379 4.807634 5.616214 4.229838 3.252612 2.301064 0.000000 3.182214 5.432253 3.917047 4.461431 5.328169 5.044187 5.951940 4.747883 5.026766 5.090064 4.941407 4.516768 4.081098 5.316271 5.535669 4.597543 3.427814 3.618231 3.481767 6.019980 5.483605 6.931467 4.159217 4.955942 3.649173 1.790410 2.162901 2.329495 3.172564 3.760551 2.247507 5.304054 5.151447 4.803470 3.514859 3.904160 2.538217 0.983270 1.561318 3.452436 0.000000 0.982109 2.102037 2.257848 3.066749 3.752088 3.717121 4.582228 2.845272 3.762855 1.820236 2.329082 3.080750 3.345867 4.167364 3.749085 3.996387 4.423319 3.881295 4.177801 3.229941 2.994286 4.061912 4.061425 4.969503 3.840303 4.932428 4.612087 5.692508 3.919045 3.687047 3.444141 2.968106 2.307861 3.158894 4.101536 5.027055 3.696058 3.110765 2.210425 1.559212 3.708189 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0481,.036,-1.5823;1.8792,-2.0278,-.6634;1.5027,.7716,-2.1965;-2.5617,-.9427,-2.2742;-2.8453,-1.3082,-3.1209;1.6018,-1.2778,2.337;1.9374,-1.8614,3.0284;-2.35,-1.7122,-1.6924;2.3738,-.743,2.0234;1.0112,-2.178,-.2372;1.1591,-1.9406,.7025;2.4257,1.088,-2.2761;2.5365,1.6639,-1.4936;3.6167,.1491,1.2092;3.6866,-.3713,.3841;3.232,1.0027,.9228;-3.8892,.5418,-.2803;-3.5221,.1108,-1.0767;-3.5472,-.0079,.4559;3.451,-1.2377,-1.2493;3.1675,-.4223,-1.7287;4.1726,-1.6205,-1.7628;-2.7233,-1.1123,1.6412;-3.2173,-1.4801,2.384;-1.9652,-.6071,2.0352;-2.7426,3.0249,-.0839;-3.1924,2.147,-.1325;-3.1223,3.4628,.6875;-.6421,.3343,2.564;.1466,-.2469,2.5596;-.498,.9456,1.8064;-1.7956,-2.7794,-.3945;-.8278,-2.6682,-.3953;-2.1054,-2.2518,.3725;2.434,2.4795,.1879;2.7042,3.3873,.3714;1.4568,2.4519,.3031;-.2386,1.9484,.3638;-.2245,1.2704,-.3523;-.9113,-.2186,-1.9667;-1.0803,2.4388,.2308;.2611,-.7558,-1.0904; 0.3999848 0.2499287 0.2346102 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.55D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 488 488 488 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74649512968 -1070.74649513 1 1.067094429332e+03 -5.118729074898e+03 1.687146425641e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12839 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340184. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.10D+01 1.53D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 1.76D+00 1.49D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 1.67D-02 1.28D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 4.85D-05 6.38D-04. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 7.29D-08 1.69D-05. 71 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 7.47D-11 7.46D-07. 6 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 5.82D-14 1.65D-08. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 707 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 157.46 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 159.572 -0.431 157.713 0.738 -0.138 155.104 146.964 -0.698 145.916 0.186 0.273 144.666 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT13970.200S Tue Nov 5 06:17:29 2024 -19.12931 -19.12871 -19.12835 -19.12829 -19.12645 -19.12085 -19.12029 -19.11946 -19.11617 -19.11605 -19.11600 -19.11522 -19.11349 -19.11064 -1.02973 -1.02377 -1.02057 -1.01944 -1.01567 -1.01344 -1.01138 -1.00585 -1.00266 -0.99987 -0.99905 -0.99238 -0.99130 -0.98790 -0.54660 -0.54520 -0.54210 -0.53927 -0.53604 -0.53215 -0.53005 -0.52911 -0.52564 -0.52466 -0.52155 -0.52096 -0.51892 -0.51760 -0.44882 -0.43833 -0.43541 -0.42059 -0.41549 -0.41236 -0.40159 -0.39853 -0.39519 -0.39060 -0.38053 -0.38038 -0.37388 -0.36161 -0.33040 -0.32942 -0.32783 -0.32755 -0.32551 -0.32395 -0.32348 -0.32104 -0.31872 -0.31760 -0.31739 -0.31565 -0.31461 -0.31238 0.00020 0.02685 0.03848 0.04179 0.05737 0.06189 0.07413 0.08182 0.08992 0.10187 0.10378 0.10754 0.10987 0.11238 0.11704 0.12512 0.13371 0.13822 0.13969 0.14571 0.15134 0.15178 0.15422 0.16573 0.17076 0.17328 0.17710 0.17996 0.18957 0.19164 0.19375 0.19957 0.20588 0.20862 0.21044 0.21619 0.21714 0.22212 0.23002 0.23363 0.23527 0.23907 0.24294 0.24980 0.25155 0.25484 0.26149 0.26428 0.26569 0.26779 0.27026 0.27280 0.27539 0.27926 0.28199 0.28462 0.28864 0.29064 0.29269 0.29504 0.30102 0.30174 0.30504 0.31055 0.31792 0.32051 0.33494 0.34099 0.34913 0.36416 0.37646 0.39148 0.41576 0.44820 0.45285 0.45470 0.46615 0.47319 0.47879 0.49015 0.49523 0.49863 0.51984 0.52108 0.53260 0.53914 0.54654 0.55336 0.56402 0.56621 0.57013 0.57798 0.58493 0.59063 0.59331 0.59794 0.60294 0.61077 0.61748 0.62686 0.63200 0.64607 0.64920 0.66137 0.66577 0.67423 0.67994 0.68520 0.69818 0.70833 0.71690 0.72461 0.94768 0.95323 0.96061 0.96927 0.97647 0.97749 0.98215 0.98999 0.99310 1.00896 1.01904 1.02307 1.02845 1.03423 1.03833 1.04262 1.04463 1.04642 1.05706 1.06154 1.06328 1.07227 1.07381 1.07673 1.08143 1.09349 1.09790 1.10165 1.10793 1.10895 1.11470 1.12066 1.12675 1.13031 1.13417 1.14356 1.15813 1.16943 1.17210 1.17580 1.20150 1.20864 1.23827 1.25625 1.26497 1.27223 1.28326 1.28547 1.29236 1.29811 1.30554 1.31263 1.31518 1.32279 1.32578 1.33220 1.34930 1.35010 1.35858 1.37608 1.38266 1.38814 1.40052 1.40438 1.41075 1.42522 1.43324 1.44116 1.44597 1.45725 1.46523 1.47321 1.47869 1.48994 1.49681 1.51746 1.51873 1.52239 1.54670 1.55260 1.55823 1.56501 1.57386 1.58340 1.59466 1.60464 1.61858 1.62497 1.63004 1.63561 1.65226 1.65801 1.66639 1.68665 1.69247 1.70133 1.71032 1.72063 1.73882 1.76178 1.76493 1.76892 1.77404 1.78520 1.79592 1.81563 1.81878 1.83084 1.84449 1.86083 1.87779 1.89571 2.03189 2.04616 2.04787 2.05189 2.05369 2.05420 2.18903 2.20589 2.20816 2.24732 2.26315 2.27106 2.28844 2.29691 2.33389 2.33867 2.34731 2.34955 2.35546 2.37452 2.38182 2.39297 2.40824 2.42650 2.43404 2.44548 2.47161 2.50022 2.53437 2.54471 2.55143 2.57666 2.58730 2.59679 2.66607 2.67331 2.68490 2.69477 2.69873 2.70818 2.73549 2.73893 2.74217 2.75010 2.76598 2.77636 2.78615 2.79456 2.81764 2.83506 2.84494 2.85516 2.86459 2.88853 2.90336 2.92862 3.07102 3.07419 3.07848 3.08525 3.08978 3.09391 3.09890 3.10260 3.10645 3.10932 3.11294 3.11768 3.12380 3.12979 3.13244 3.13722 3.15117 3.15455 3.15872 3.16333 3.16411 3.16902 3.17661 3.18300 3.18655 3.19057 3.19814 3.21656 3.30304 3.30608 3.31562 3.31674 3.31758 3.32898 3.33202 3.34555 3.35938 3.36406 3.37138 3.37439 3.38549 3.40774 3.68653 3.68927 3.69473 3.70995 3.71440 3.73087 3.73583 3.73814 3.74339 3.75498 3.75829 3.76669 3.77489 3.79461 3.90010 3.91800 3.92166 3.92548 3.92778 3.93239 3.93672 3.94672 3.94868 3.96438 3.96800 3.98564 3.99762 4.00848 5.00795 5.01147 5.02067 5.02706 5.03257 5.03812 5.03964 5.04485 5.05175 5.05845 5.06092 5.08278 5.11691 5.14927 5.38368 5.40074 5.41033 5.43508 5.43825 5.44751 5.45796 5.46166 5.47655 5.48494 5.50460 5.50658 5.53179 5.58997 5.65147 5.66242 5.66996 5.67142 5.67778 5.68100 5.69395 5.69763 5.70985 5.74266 5.75059 5.75723 5.77943 5.81722 49.88070 49.90824 49.91021 49.91816 49.92126 49.92360 49.92679 49.93506 49.93998 49.95300 49.95982 49.96448 49.97129 49.98997 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.796143 0.399143 0.363335 -0.756576 0.354131 -0.778863 0.350963 0.382528 0.410606 -0.781081 0.389698 -0.717543 0.367623 -0.737878 0.369374 0.389270 -0.732800 0.366894 0.371926 -0.775067 0.394196 0.356853 -0.776831 0.341063 0.433310 -0.749250 0.414260 0.315821 -0.803246 0.399842 0.399663 -0.741814 0.376317 0.392923 -0.757059 0.361640 0.384577 -0.850380 0.404410 0.421495 0.463128 0.379543 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O 0.004895 -0.019917 -0.017295 0.007760 0.013416 0.020765 0.006020 -0.024019 -0.002459 -0.019169 -0.003741 0.027427 -0.010842 0.017158 -0.00000 1.03117957e+00 -7.14935240e-01 5.90338734e-01 1.59572015e+02 -4.31411828e-01 1.57712954e+02 7.37602517e-01 -1.37802542e-01 1.55103520e+02 -6.3316 -4.4311 -0.0012 -0.0010 0.0003 5.5696 28.9071 35.5280 41.4511 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.8694 35.0789 41.2374 47.4840 49.6694 56.8360 58.8898 62.1246 64.5715 71.9012 74.0889 76.8692 90.6768 106.2305 128.7273 139.3055 155.7111 163.1283 165.8041 166.7120 178.9179 182.6183 184.9336 193.0864 200.9590 206.7281 210.2424 218.8219 221.9847 229.7508 232.4989 234.7069 242.1178 247.0548 251.5300 261.7399 264.2614 268.4552 270.0109 277.9692 289.8196 298.5370 402.7968 416.7220 427.6120 434.9930 468.6237 478.5604 509.9580 524.5469 535.1277 550.1727 562.5853 572.9134 583.5101 593.0725 610.8542 620.1225 624.8838 634.5270 638.6829 654.5471 658.1042 664.9852 696.9895 707.1821 714.7289 723.4020 729.5594 735.1455 748.6633 788.4099 821.8802 830.5550 841.2820 855.3870 863.8168 889.0486 1596.6174 1597.5809 1604.7591 1606.1226 1614.7720 1619.2111 1642.2473 1646.0270 1651.2520 1654.2441 1656.3436 1659.2052 1660.9745 1663.3037 3216.9525 3273.8651 3319.5505 3326.5354 3331.2292 3339.6258 3387.2279 3407.1594 3442.5179 3466.0825 3474.3354 3487.2105 3506.5006 3508.2681 3515.2593 3523.4626 3536.4248 3545.5018 3559.6588 3568.7170 3572.8697 3639.5319 3830.8298 3831.0568 3832.2270 3832.5500 3833.2284 3834.0300 6.2238 5.9044 6.0184 5.4922 6.5342 6.3989 6.5146 6.7425 6.4995 6.3670 6.1819 6.7288 7.4064 6.9927 4.8495 4.6407 3.4105 2.5074 2.2351 2.4618 4.7295 3.2011 4.5728 5.3288 4.8541 2.2052 3.5095 2.1881 2.7587 4.7994 5.7918 2.4391 4.5750 3.3365 2.1923 2.0896 2.3230 1.5999 2.2929 3.6013 4.6861 4.5059 1.0711 1.0943 1.0773 1.0817 1.0614 1.0438 1.0388 1.0258 1.0375 1.0444 1.0333 1.0482 1.0379 1.0455 1.0366 1.0434 1.0485 1.0428 1.0423 1.0430 1.0499 1.0599 1.0491 1.0610 1.0568 1.0518 1.0458 1.0585 1.0550 1.0404 1.0422 1.0395 1.0350 1.0325 1.0345 1.0371 1.0736 1.0756 1.0728 1.0740 1.0746 1.0714 1.0722 1.0716 1.0711 1.0703 1.0717 1.0682 1.0665 1.0662 1.0673 1.0669 1.0640 1.0663 1.0655 1.0618 1.0662 1.0732 1.0646 1.0578 1.0628 1.0618 1.0602 1.0653 1.0549 1.0708 1.0789 1.0573 1.0751 1.0779 1.0736 1.0692 1.0666 1.0664 1.0671 1.0672 1.0676 1.0666 0.0031 0.0043 0.0060 0.0073 0.0095 0.0122 0.0133 0.0153 0.0160 0.0194 0.0200 0.0234 0.0359 0.0465 0.0473 0.0531 0.0487 0.0393 0.0362 0.0403 0.0892 0.0629 0.0921 0.1171 0.1155 0.0555 0.0914 0.0617 0.0801 0.1493 0.1845 0.0792 0.1580 0.1200 0.0817 0.0843 0.0956 0.0679 0.0985 0.1639 0.2319 0.2366 0.1024 0.1120 0.1161 0.1206 0.1373 0.1408 0.1592 0.1663 0.1750 0.1863 0.1927 0.2027 0.2082 0.2167 0.2279 0.2364 0.2412 0.2474 0.2505 0.2633 0.2679 0.2761 0.3003 0.3126 0.3181 0.3243 0.3279 0.3370 0.3484 0.3810 0.4148 0.4225 0.4316 0.4451 0.4548 0.4830 1.6124 1.6175 1.6277 1.6324 1.6508 1.6550 1.7038 1.7107 1.7207 1.7256 1.7323 1.7326 1.7336 1.7380 6.5078 6.7374 6.9082 6.9520 6.9667 6.9771 7.2072 7.3405 7.4332 7.4877 7.5584 7.6075 7.6803 7.7250 7.6802 7.8325 7.9500 7.8311 8.0263 8.0880 8.0744 8.3448 9.2227 9.2213 9.2333 9.2355 9.2421 9.2375 0.3561 1.3057 2.3592 3.4670 6.5648 3.3437 6.0332 4.1775 3.5524 4.9136 2.2120 2.3515 4.8327 0.8929 1.0389 6.9100 14.9273 68.4736 80.2931 6.7578 31.8053 2.1022 60.8409 22.4288 7.2627 62.4004 47.7930 61.0074 48.1237 194.5893 21.9254 170.2949 36.3813 34.5784 18.5409 33.8540 237.2731 187.0870 30.0954 64.3124 56.7213 14.9751 84.5613 244.4789 141.3857 40.6703 134.0561 97.8613 82.4274 8.4519 10.8486 33.2302 100.0746 105.9016 127.9467 138.0871 286.1206 55.0374 48.8931 211.1227 108.7832 130.6590 38.9872 185.0701 77.5596 949.4665 145.9391 329.0394 327.1275 476.7956 160.0342 145.0279 264.1108 453.3536 102.6382 58.7318 227.2696 239.1902 286.7373 143.6393 153.5482 71.8259 191.3525 84.4806 184.7805 78.1110 77.0700 98.2606 74.1324 169.3424 42.8720 159.1469 1584.4284 1141.0022 1927.0664 458.4565 1272.4443 911.3705 1280.6773 2624.9842 923.3152 143.7780 692.7601 934.8806 505.6351 2404.8436 470.6448 233.1767 753.2147 88.5892 403.3173 2093.7817 345.6194 505.9975 115.3671 119.5095 125.4315 127.4844 132.1101 127.0914 -0.04 0.01 0.22 -0.03 -0.03 0.06 -0.12 -0.04 0.03 0.10 -0.11 -0.07 0.26 -0.10 -0.12 0.03 0.04 0.05 0.09 0.07 0.05 0.07 -0.11 -0.06 -0.00 0.06 0.01 -0.01 -0.05 0.10 0.02 -0.03 0.09 -0.14 -0.03 -0.09 -0.07 0.01 -0.13 -0.04 0.06 -0.09 -0.07 0.03 -0.07 -0.02 0.06 -0.10 0.14 0.08 -0.18 0.14 0.06 -0.17 0.07 0.05 -0.17 -0.09 0.00 -0.05 -0.10 -0.02 -0.07 -0.08 0.00 -0.05 -0.07 -0.00 -0.12 -0.15 0.04 -0.16 -0.07 -0.05 -0.06 0.08 0.08 0.13 0.11 0.08 -0.00 0.01 -0.02 0.16 -0.08 -0.10 0.06 -0.05 -0.07 0.07 -0.05 -0.04 0.12 0.02 -0.10 -0.01 0.02 -0.08 0.03 -0.03 -0.07 -0.05 0.03 0.07 -0.14 0.05 0.07 -0.15 0.04 0.07 -0.04 0.05 0.04 0.19 0.01 0.03 0.20 0.00 -0.02 0.15 0.07 0.07 0.18 -0.02 -0.00 0.18 0.04 0.05 -0.08 -0.03 0.04 0.10 0.10 -0.10 -0.10 -0.00 0.13 -0.02 -0.04 0.16 -0.02 0.03 0.13 0.08 0.04 0.13 0.08 0.01 0.10 -0.06 0.03 0.11 0.06 -0.05 0.11 0.09 -0.05 0.12 0.09 0.12 -0.14 -0.07 0.10 -0.10 -0.10 0.05 0.06 0.01 0.05 0.00 0.05 0.05 0.04 -0.05 -0.08 -0.05 0.06 -0.05 0.01 0.04 -0.10 -0.09 0.03 0.03 -0.10 0.11 0.06 -0.12 0.05 0.00 -0.18 0.12 -0.07 -0.12 -0.02 -0.01 -0.16 -0.00 -0.07 -0.09 -0.06 -0.07 -0.07 0.27 -0.06 -0.06 0.20 0.01 -0.17 0.37 -0.10 -0.04 -0.12 -0.06 0.01 -0.04 -0.06 -0.04 -0.11 0.00 0.04 -0.11 0.00 0.06 -0.05 -0.04 -0.03 -0.08 0.05 -0.00 -0.16 0.07 0.00 -0.22 0.06 0.02 -0.13 0.03 0.03 -0.05 0.02 0.05 -0.08 0.03 0.06 -0.06 -0.00 -0.01 0.03 0.00 0.07 -0.02 0.10 -0.08 -0.03 0.07 -0.06 -0.03 0.04 -0.02 -0.07 -0.02 0.12 0.10 -0.08 0.17 0.10 -0.09 -0.07 -0.04 -0.04 -0.05 -0.05 -0.03 0.09 0.06 -0.14 0.03 -0.01 0.07 -0.12 -0.06 0.02 -0.10 -0.05 0.03 0.02 -0.10 0.01 0.07 -0.14 -0.18 0.13 0.05 -0.11 0.13 0.05 -0.13 0.14 0.00 -0.02 0.07 0.13 -0.02 0.07 0.12 -0.06 0.03 0.12 0.06 0.09 0.06 0.06 0.06 0.02 0.17 0.15 0.17 -0.08 -0.08 0.05 -0.07 -0.12 0.04 -0.09 -0.08 0.06 0.18 -0.01 -0.09 0.10 0.03 0.02 0.23 0.12 -0.14 -0.09 -0.09 0.06 -0.10 -0.11 0.06 -0.06 -0.10 0.05 -0.02 0.02 -0.00 -0.02 -0.01 -0.00 -0.01 -0.02 0.02 -0.01 0.14 -0.17 -0.09 0.15 -0.13 -0.01 0.03 -0.12 0.08 -0.15 0.04 0.11 -0.14 0.03 0.06 -0.02 0.02 0.11 -0.11 -0.02 0.08 -0.11 -0.06 0.01 -0.07 -0.14 0.05 -0.00 -0.06 0.02 -0.00 -0.06 0.01 -0.14 -0.05 -0.02 -0.23 -0.00 -0.08 -0.08 -0.05 -0.08 -0.10 -0.06 -0.01 -0.07 0.04 -0.09 -0.05 -0.00 0.04 -0.03 -0.09 0.01 -0.04 -0.08 0.02 0.02 -0.02 -0.02 0.02 -0.02 -0.09 0.02 0.07 -0.04 0.04 0.06 -0.08 0.02 0.06 0.03 0.03 -0.13 0.04 0.01 -0.12 0.02 0.06 -0.11 0.06 0.07 0.04 0.05 0.05 0.02 0.12 0.10 0.08 -0.01 0.18 0.00 -0.05 0.21 -0.00 -0.00 0.15 0.02 -0.00 -0.00 0.32 -0.00 0.01 0.12 0.08 -0.23 0.50 0.05 0.09 0.03 -0.00 0.02 0.03 0.07 0.02 -0.03 -0.01 0.03 0.12 -0.01 0.02 0.07 0.02 0.10 0.09 -0.03 0.01 -0.02 -0.08 0.02 -0.01 -0.04 -0.04 -0.05 0.01 -0.10 -0.10 -0.03 -0.07 -0.12 0.01 -0.10 -0.13 -0.00 -0.10 0.00 0.02 -0.06 -0.12 0.05 0.05 0.15 0.03 -0.09 -0.05 0.03 -0.07 0.01 0.10 0.09 -0.05 0.15 0.14 -0.09 -0.20 -0.04 -0.05 -0.22 0.01 -0.01 0.07 0.06 -0.09 -0.19 -0.04 -0.04 0.02 -0.11 -0.07 -0.02 -0.12 -0.06 0.03 -0.08 -0.05 0.06 -0.05 -0.08 -0.18 -0.06 -0.01 -0.13 -0.06 -0.00 -0.12 -0.04 -0.04 0.01 -0.13 0.05 0.02 -0.07 0.03 0.10 -0.10 0.03 0.02 -0.07 -0.01 0.03 -0.07 -0.03 0.08 -0.04 0.05 0.22 -0.00 0.02 0.22 -0.03 0.01 0.14 0.10 0.05 -0.12 -0.07 0.03 -0.07 -0.09 0.04 -0.15 -0.08 0.02 0.02 0.23 0.14 -0.02 0.18 0.09 0.02 0.22 0.13 0.02 0.02 -0.10 0.03 -0.06 -0.12 0.09 0.02 -0.08 0.02 0.01 -0.10 0.11 -0.02 -0.07 0.02 0.10 -0.06 -0.02 0.14 0.05 0.01 0.08 0.11 0.07 0.07 0.09 -0.06 0.08 0.03 0.05 0.00 0.08 -0.16 -0.04 -0.03 -0.06 0.02 -0.00 -0.10 -0.06 0.04 -0.17 -0.07 -0.03 -0.21 -0.01 -0.04 -0.00 -0.02 -0.03 -0.02 -0.01 -0.01 -0.13 -0.10 -0.09 -0.00 0.01 0.02 -0.08 0.01 -0.03 -0.09 -0.00 -0.03 -0.09 -0.09 0.07 -0.10 -0.05 0.04 0.00 0.11 0.13 0.03 0.10 0.14 -0.01 0.09 0.11 0.19 0.08 0.10 0.07 0.06 0.06 0.20 0.03 0.05 -0.00 0.02 0.19 -0.05 -0.01 0.15 -0.02 0.01 0.17 0.21 -0.11 -0.08 0.19 -0.09 -0.08 0.17 -0.06 -0.08 0.06 0.14 0.02 0.10 0.12 0.05 0.08 0.13 0.04 0.08 0.05 -0.05 0.08 0.04 -0.05 0.06 0.04 -0.06 -0.02 -0.15 -0.15 -0.02 -0.14 -0.18 0.02 -0.15 -0.14 -0.01 0.04 -0.01 -0.05 0.07 -0.12 -0.02 0.02 -0.04 0.01 0.03 -0.07 -0.06 0.02 -0.06 -0.16 -0.04 -0.02 0.04 0.08 -0.04 -0.14 -0.03 -0.03 -0.01 -0.01 0.03 -0.02 -0.05 -0.00 0.02 -0.14 -0.00 -0.01 0.10 -0.12 0.01 0.09 -0.13 0.19 -0.07 -0.03 0.25 -0.08 -0.08 -0.04 0.11 -0.11 0.14 0.00 -0.03 -0.02 -0.02 0.01 0.02 -0.03 0.00 0.02 -0.14 0.02 -0.02 -0.09 -0.02 0.07 0.15 -0.01 0.09 0.11 0.02 -0.03 0.10 -0.05 -0.07 -0.00 -0.07 -0.06 0.02 -0.08 0.01 0.05 -0.07 0.06 -0.07 0.12 0.04 -0.10 0.08 0.06 -0.09 0.12 0.05 0.15 -0.01 0.01 0.12 -0.05 0.09 0.04 0.05 -0.07 -0.01 -0.05 -0.09 -0.00 -0.08 -0.12 0.01 -0.09 0.17 -0.11 0.17 0.17 -0.11 0.09 0.10 -0.09 0.16 -0.08 0.14 -0.06 -0.07 0.06 -0.04 -0.05 0.16 -0.06 -0.17 0.01 -0.07 -0.22 0.03 -0.11 -0.16 -0.05 -0.03 -0.13 -0.12 0.12 -0.10 -0.10 0.09 0.01 0.01 -0.03 -0.12 -0.10 0.09 -0.02 -0.02 0.01 0.00 0.02 -0.18 -0.11 0.12 0.13 -0.02 0.11 -0.11 0.01 -0.00 -0.17 -0.10 -0.04 -0.11 -0.01 0.03 0.20 0.03 -0.01 0.13 0.00 0.02 -0.13 -0.02 -0.00 0.13 -0.12 0.15 0.13 -0.12 0.13 0.13 -0.02 0.12 -0.09 -0.02 0.08 -0.06 -0.06 -0.05 -0.00 -0.12 -0.05 -0.01 -0.03 -0.03 0.02 0.14 -0.10 0.00 0.11 -0.10 -0.02 0.16 -0.11 -0.01 -0.19 0.05 -0.04 -0.12 0.06 -0.05 -0.22 -0.02 -0.04 0.11 -0.03 0.09 0.06 -0.03 0.06 0.07 -0.01 0.12 0.12 -0.10 -0.04 0.12 -0.10 -0.02 0.09 -0.08 -0.06 0.02 0.06 0.17 0.01 0.05 0.23 0.03 -0.02 0.11 -0.04 0.09 -0.08 -0.03 0.08 -0.05 -0.04 0.05 -0.06 0.00 -0.03 -0.01 -0.05 -0.02 0.07 0.00 -0.10 0.00 0.05 -0.17 0.02 0.04 -0.11 -0.04 0.01 0.02 -0.19 0.08 -0.12 0.02 -0.05 0.05 -0.09 -0.06 0.11 -0.07 0.10 0.13 -0.08 0.05 -0.08 -0.13 -0.02 -0.07 0.03 -0.09 -0.11 0.07 -0.10 0.09 -0.04 -0.11 -0.02 -0.13 0.03 -0.05 0.05 -0.05 0.04 -0.03 0.07 0.20 -0.12 0.04 0.18 -0.10 0.06 -0.11 -0.06 0.01 -0.12 -0.05 0.03 -0.06 -0.00 0.09 -0.07 0.01 -0.01 -0.09 -0.04 0.13 0.07 0.03 0.10 0.04 0.03 0.07 0.04 0.03 0.18 -0.03 -0.04 0.14 -0.06 -0.05 0.13 -0.07 -0.08 -0.04 -0.07 0.03 -0.09 -0.09 -0.01 -0.08 -0.06 0.10 -0.01 0.14 -0.03 0.03 0.12 -0.01 -0.05 0.15 -0.05 -0.14 0.00 0.17 -0.13 0.03 0.14 -0.18 -0.01 0.16 0.13 -0.00 0.04 0.12 0.08 0.00 0.10 -0.02 0.05 -0.11 -0.18 -0.05 -0.09 -0.18 -0.05 -0.10 -0.17 0.00 -0.12 -0.08 0.12 -0.13 -0.02 0.06 -0.04 0.05 -0.05 -0.06 0.02 0.08 0.01 0.12 -0.09 0.03 0.02 0.01 0.07 0.10 0.11 -0.01 -0.01 -0.15 0.03 0.05 0.08 0.07 0.07 0.05 0.05 -0.23 0.24 0.07 -0.17 0.28 0.05 0.03 0.04 0.02 -0.20 0.21 0.07 0.06 0.10 0.07 -0.06 0.13 -0.03 0.03 -0.18 -0.03 0.00 -0.16 -0.15 -0.09 0.08 -0.12 -0.07 0.07 -0.17 -0.10 0.08 -0.03 0.08 0.03 -0.02 0.08 0.03 -0.01 0.08 0.02 0.00 0.10 -0.01 0.01 0.06 -0.06 0.02 0.07 0.04 0.05 0.02 -0.06 0.07 0.01 -0.05 0.08 -0.01 -0.08 -0.11 0.12 -0.03 -0.09 0.11 -0.00 -0.09 0.12 -0.02 0.12 -0.08 -0.11 0.11 -0.10 -0.07 0.12 -0.07 -0.10 0.12 -0.00 -0.00 0.11 0.03 0.02 0.09 -0.00 -0.01 -0.06 -0.12 -0.10 0.01 -0.16 -0.04 -0.06 -0.05 -0.09 -0.10 0.06 -0.06 -0.09 0.06 -0.07 0.03 -0.01 0.04 -0.10 0.06 -0.04 0.04 0.06 0.06 -0.13 0.16 0.04 -0.03 0.15 -0.08 -0.07 0.01 -0.05 -0.06 -0.09 -0.03 -0.02 -0.14 -0.02 -0.01 -0.13 -0.04 -0.03 -0.21 -0.10 -0.03 -0.05 0.01 -0.01 -0.09 0.03 -0.05 0.18 -0.11 -0.04 0.08 -0.09 -0.06 -0.04 -0.07 -0.01 -0.03 -0.09 0.02 -0.01 0.15 0.06 0.01 0.14 0.07 0.00 0.13 -0.10 -0.11 -0.05 -0.10 -0.13 -0.04 -0.07 -0.07 -0.03 0.06 0.10 0.11 0.01 0.05 0.05 0.02 0.06 0.08 -0.05 0.05 0.04 -0.04 0.05 0.06 -0.03 0.03 0.02 0.05 -0.16 -0.08 0.03 -0.15 -0.08 -0.09 -0.08 -0.19 0.04 -0.06 -0.01 0.01 -0.10 -0.03 0.08 -0.02 0.04 -0.03 0.03 0.07 -0.03 0.08 0.02 -0.03 0.04 0.05 0.19 -0.02 -0.11 0.26 -0.02 -0.22 0.19 0.06 -0.03 0.14 0.11 0.11 0.09 0.11 0.10 -0.12 0.12 0.03 0.11 0.07 0.13 -0.09 0.15 -0.01 0.05 0.12 -0.04 -0.12 -0.03 -0.06 0.12 0.03 0.01 0.16 -0.06 -0.05 0.01 -0.12 0.03 0.03 -0.14 -0.06 0.05 -0.12 -0.06 0.08 -0.02 0.04 -0.01 -0.07 -0.05 -0.13 0.04 -0.05 -0.07 -0.03 -0.04 0.14 -0.01 0.06 0.10 0.02 0.04 -0.12 0.06 -0.05 -0.10 0.04 -0.03 -0.12 0.06 -0.06 0.26 -0.05 0.02 0.28 -0.07 0.04 0.15 -0.08 0.05 -0.06 -0.10 0.02 0.01 -0.07 0.03 -0.03 -0.11 0.07 -0.08 -0.09 0.21 -0.07 0.01 0.27 -0.03 -0.09 0.12 -0.08 0.08 -0.02 0.04 0.02 0.00 -0.12 0.05 -0.02 0.05 -0.11 -0.13 0.05 -0.11 -0.15 0.02 -0.08 -0.11 -0.09 0.03 0.11 -0.10 0.07 0.10 -0.11 -0.02 0.14 -0.06 0.13 -0.02 -0.05 0.11 0.02 -0.06 0.13 -0.03 -0.05 0.10 -0.02 -0.04 0.13 -0.05 0.08 0.09 -0.09 -0.05 0.11 -0.01 0.01 0.12 -0.01 -0.03 0.09 -0.09 -0.04 0.05 -0.01 0.13 0.05 0.06 -0.08 -0.07 0.14 -0.03 -0.06 0.12 0.00 -0.07 0.07 0.09 -0.11 0.00 0.01 -0.08 0.10 -0.05 -0.03 0.02 -0.06 0.17 -0.01 -0.03 0.09 0.01 0.17 -0.05 0.16 0.12 0.00 0.13 -0.20 0.02 -0.13 -0.17 0.00 -0.11 -0.14 0.05 -0.14 -0.16 0.04 -0.03 -0.16 0.02 -0.02 -0.09 0.08 -0.03 -0.03 -0.19 -0.08 0.05 -0.13 -0.02 -0.03 -0.20 -0.08 0.09 0.06 -0.17 0.07 0.03 -0.20 0.07 0.04 -0.11 0.08 -0.05 -0.01 -0.00 -0.01 -0.03 0.05 -0.00 -0.05 0.05 -0.01 0.06 0.03 -0.04 0.09 0.09 -0.02 0.06 0.14 -0.14 0.02 0.13 -0.04 -0.03 0.12 -0.08 -0.03 -0.02 0.21 0.02 -0.06 0.21 0.08 -0.02 0.15 0.02 0.05 -0.03 0.05 0.06 0.01 0.01 -0.07 0.08 -0.00 0.04 -0.04 0.06 -0.02 0.11 -0.06 -0.12 -0.08 0.07 0.18 0.02 0.04 -0.11 -0.11 0.18 -0.17 -0.01 -0.17 -0.22 -0.09 -0.13 0.01 -0.02 0.16 0.04 0.05 0.20 -0.11 0.04 -0.13 -0.02 -0.02 0.08 0.18 0.03 0.04 0.16 -0.01 0.04 -0.11 -0.12 0.15 -0.09 -0.07 0.11 -0.14 -0.05 -0.09 -0.06 -0.02 -0.09 -0.09 -0.02 -0.08 0.07 -0.03 0.02 -0.00 -0.04 -0.00 0.03 -0.06 0.01 0.22 -0.04 -0.13 0.11 -0.04 -0.07 0.28 0.09 -0.16 -0.06 -0.03 0.09 -0.01 -0.06 0.11 -0.04 -0.01 0.05 0.04 -0.02 0.00 0.06 -0.03 0.01 0.03 -0.02 -0.00 -0.02 -0.02 -0.09 -0.02 -0.01 -0.03 0.01 -0.02 -0.08 0.03 0.23 -0.06 0.04 0.15 0.01 0.02 0.17 -0.02 0.01 0.10 0.04 0.01 0.11 0.02 0.01 0.10 0.01 0.05 0.05 -0.04 -0.00 0.01 -0.00 -0.07 -0.11 0.00 0.04 0.04 -0.02 -0.05 -0.08 0.04 -0.03 0.02 -0.03 0.02 0.03 -0.06 -0.05 0.03 -0.01 -0.04 -0.04 -0.00 -0.06 -0.13 0.04 -0.03 -0.03 -0.08 -0.05 -0.02 -0.05 0.10 0.03 0.04 -0.03 0.00 -0.01 0.05 -0.11 -0.02 0.05 -0.08 -0.02 -0.03 -0.02 0.02 -0.02 -0.02 0.02 0.03 0.05 0.07 0.02 0.03 0.08 0.03 0.04 0.04 -0.00 0.01 0.00 -0.02 -0.02 0.01 -0.03 0.00 0.01 -0.23 -0.07 0.06 -0.18 -0.05 0.06 -0.49 -0.30 -0.12 -0.03 -0.01 0.01 0.03 -0.11 -0.00 -0.04 -0.00 0.03 0.00 0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 -0.03 -0.03 -0.04 -0.02 -0.01 -0.00 0.33 0.21 -0.01 0.33 0.22 0.02 0.27 0.15 0.01 0.01 0.00 -0.01 0.01 0.02 -0.09 0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 0.00 -0.02 0.01 -0.04 0.00 0.02 0.01 -0.01 0.02 -0.06 -0.03 0.02 0.05 -0.01 0.08 -0.02 -0.20 -0.13 0.08 0.22 0.10 0.04 0.53 0.17 -0.09 -0.02 0.01 -0.06 -0.03 -0.03 -0.09 0.14 0.06 0.02 -0.02 0.02 -0.03 -0.02 0.14 -0.03 -0.02 0.10 -0.02 -0.20 -0.12 0.02 -0.16 -0.10 -0.01 -0.06 0.05 0.01 0.00 0.05 0.02 -0.11 0.03 -0.01 -0.01 -0.01 0.03 0.03 0.04 0.03 -0.00 -0.02 0.02 -0.00 -0.03 0.00 -0.08 -0.05 0.00 -0.11 -0.08 -0.12 0.02 0.02 0.00 0.04 0.04 0.03 0.03 0.04 -0.04 0.16 -0.09 0.02 0.09 -0.06 0.04 0.21 -0.04 0.01 0.01 0.04 -0.12 0.00 0.02 -0.09 0.03 0.01 -0.14 0.04 0.01 0.03 0.04 0.02 0.03 0.03 0.01 0.02 -0.13 -0.07 0.08 -0.15 -0.09 0.21 -0.14 -0.10 0.03 0.02 -0.06 -0.06 0.01 -0.07 -0.06 -0.04 0.01 0.05 0.02 -0.05 -0.04 -0.01 0.02 0.05 0.01 0.05 0.08 -0.02 -0.05 0.01 0.11 0.04 -0.10 -0.13 -0.04 0.01 -0.39 -0.07 0.12 0.01 0.08 -0.04 0.00 0.17 0.04 -0.07 -0.02 0.02 0.00 0.09 -0.07 -0.01 -0.05 0.03 0.00 -0.02 0.02 0.11 0.04 -0.11 0.10 0.03 -0.10 -0.09 0.06 -0.03 -0.06 0.04 -0.01 -0.17 0.03 -0.06 0.05 -0.01 -0.02 0.02 -0.05 -0.01 0.04 -0.00 -0.01 0.01 -0.01 0.03 0.07 -0.02 -0.02 0.10 0.01 0.15 0.03 0.03 -0.03 0.05 0.04 -0.01 0.06 0.03 -0.05 0.11 -0.11 0.02 0.09 -0.10 -0.01 0.05 -0.08 -0.03 0.02 -0.02 -0.10 0.04 -0.00 -0.11 0.02 0.02 -0.07 -0.01 0.04 0.00 -0.00 0.02 -0.00 0.00 0.04 0.00 -0.10 -0.13 0.06 0.00 -0.26 0.56 -0.11 -0.09 0.07 -0.00 0.06 0.06 0.00 0.05 0.06 0.03 0.05 0.05 -0.02 0.04 0.06 0.01 0.03 0.05 0.01 -0.03 -0.04 -0.04 -0.06 0.03 -0.06 -0.05 0.00 0.02 -0.03 -0.03 0.10 -0.06 -0.04 0.02 0.02 -0.06 0.06 -0.04 -0.13 0.03 -0.01 -0.00 0.01 0.04 -0.07 -0.04 0.02 0.04 -0.02 0.05 0.03 -0.07 -0.06 -0.13 0.04 0.00 -0.20 -0.06 0.02 -0.03 -0.06 0.02 -0.04 -0.05 0.04 -0.03 -0.05 0.00 0.01 -0.05 0.01 0.01 -0.04 0.01 0.00 0.03 -0.02 0.04 0.02 -0.07 -0.02 0.18 0.06 0.19 -0.00 -0.02 0.01 0.01 -0.07 0.00 -0.01 -0.04 0.03 -0.07 0.09 -0.01 -0.06 0.08 0.00 -0.05 0.07 0.01 0.01 -0.03 0.06 0.02 -0.03 0.04 0.00 -0.03 0.06 0.04 0.02 -0.01 0.04 0.02 0.01 0.03 0.00 -0.00 0.12 0.05 0.12 0.14 -0.09 0.78 0.12 -0.00 0.09 0.02 -0.01 -0.02 0.02 -0.00 -0.02 0.01 -0.03 -0.05 0.04 0.00 -0.02 -0.00 -0.02 -0.01 -0.03 0.02 -0.00 -0.07 -0.11 0.04 0.04 0.03 -0.02 0.02 -0.08 -0.08 0.48 -0.15 -0.20 -0.01 0.03 -0.05 -0.01 0.01 -0.07 0.05 -0.03 -0.02 0.01 0.01 -0.07 -0.07 -0.03 0.07 -0.03 0.01 0.05 0.04 0.04 0.05 -0.01 0.01 0.08 -0.02 -0.08 -0.07 -0.10 -0.07 -0.10 0.02 -0.06 -0.03 -0.09 0.00 0.09 -0.15 0.04 0.05 -0.02 -0.02 0.04 0.01 0.05 0.05 0.03 0.05 0.04 0.37 0.33 0.36 0.02 -0.01 0.00 0.05 -0.04 0.00 0.03 -0.00 -0.01 0.06 0.04 0.01 0.01 0.07 0.05 0.08 0.11 -0.02 0.01 -0.02 -0.03 0.01 -0.01 -0.04 -0.00 -0.00 -0.02 0.04 0.04 0.01 0.04 0.04 0.03 0.03 0.04 0.00 -0.04 -0.03 -0.04 -0.05 0.02 -0.29 -0.04 -0.02 -0.03 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.04 -0.00 0.03 0.01 0.02 0.02 -0.02 0.04 0.01 0.02 -0.01 -0.02 -0.07 -0.09 0.06 -0.07 -0.05 0.04 -0.01 0.08 0.12 -0.48 0.13 0.26 -0.00 -0.01 -0.06 0.01 -0.10 -0.15 0.02 0.04 0.08 0.01 -0.03 -0.07 -0.07 0.02 0.07 -0.04 0.05 0.06 -0.07 -0.03 0.03 -0.07 -0.02 0.03 0.00 -0.09 -0.07 -0.08 -0.07 -0.10 0.05 -0.06 -0.01 0.10 -0.00 -0.10 0.17 -0.05 -0.05 0.03 0.02 -0.05 0.02 0.04 0.05 -0.01 0.03 0.04 0.36 0.32 0.33 -0.01 0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.00 -0.01 -0.04 -0.07 -0.01 0.01 -0.10 -0.06 -0.07 -0.13 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.07 0.04 -0.01 0.07 0.03 0.01 0.05 0.01 -0.00 0.01 0.03 -0.00 -0.01 0.08 -0.21 0.01 0.03 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.04 -0.03 -0.03 -0.00 -0.02 -0.01 0.01 0.03 -0.03 0.10 -0.05 -0.02 0.06 0.06 0.01 -0.01 -0.05 -0.01 -0.03 -0.14 0.02 -0.02 0.07 -0.18 -0.05 0.16 -0.46 -0.33 -0.01 -0.03 -0.08 0.06 -0.14 -0.00 -0.04 0.06 0.09 0.01 0.04 0.09 0.04 0.05 -0.03 0.02 0.03 -0.02 0.06 0.05 -0.01 0.06 0.04 -0.01 -0.03 0.01 -0.01 -0.08 0.01 -0.09 -0.03 -0.02 -0.05 -0.19 0.01 -0.06 0.02 -0.02 -0.02 0.04 -0.01 -0.01 0.04 -0.01 -0.00 -0.14 -0.11 0.14 -0.06 -0.13 0.18 -0.19 -0.03 0.08 0.10 0.03 0.02 0.05 0.07 -0.02 0.17 -0.00 0.07 0.00 0.21 0.08 -0.06 0.14 0.09 0.02 0.13 0.01 0.08 -0.07 -0.10 0.07 -0.03 -0.04 0.02 -0.16 -0.08 -0.09 -0.02 -0.00 -0.09 -0.04 0.07 -0.10 -0.02 -0.04 0.01 0.06 -0.07 0.00 0.01 -0.03 0.05 -0.03 0.06 0.01 0.05 -0.08 0.02 -0.02 0.12 -0.01 -0.00 -0.01 -0.00 -0.02 0.01 0.01 0.01 -0.02 -0.03 0.02 -0.06 0.18 0.10 -0.16 0.01 -0.03 -0.01 0.02 -0.08 -0.06 -0.00 -0.03 -0.15 0.01 -0.02 0.00 0.00 -0.01 0.03 0.01 0.00 0.02 0.01 0.00 -0.03 0.02 0.01 -0.03 0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.11 -0.00 0.18 0.01 0.03 0.13 0.19 -0.04 0.14 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.04 0.01 0.04 -0.13 0.19 -0.02 -0.45 0.59 -0.03 -0.10 0.12 0.02 -0.04 -0.09 -0.01 -0.01 -0.13 0.07 -0.06 -0.03 -0.05 -0.02 0.01 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 0.09 -0.12 -0.08 0.09 -0.03 -0.03 0.02 -0.15 -0.11 0.01 0.02 0.01 0.01 0.01 0.09 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.02 -0.03 -0.02 0.00 -0.01 0.00 -0.01 0.11 -0.14 0.18 -0.01 0.09 0.12 0.07 -0.00 0.07 -0.06 -0.05 -0.04 -0.09 -0.12 0.01 -0.08 -0.04 -0.15 -0.10 -0.30 -0.36 -0.04 0.00 0.02 -0.04 -0.03 -0.05 -0.04 0.20 0.11 -0.03 0.20 0.12 0.04 0.07 -0.01 0.06 0.07 -0.02 0.03 -0.01 0.07 0.08 0.00 0.07 0.05 -0.01 0.05 0.03 -0.00 0.08 -0.03 0.01 0.05 0.09 -0.01 0.05 0.01 -0.04 -0.05 0.04 -0.02 -0.03 -0.18 -0.19 -0.21 0.09 0.03 -0.09 0.08 0.00 -0.12 0.09 0.03 -0.07 -0.06 0.01 -0.01 -0.04 -0.00 0.03 0.01 -0.02 0.05 -0.04 -0.05 -0.06 -0.05 -0.06 -0.06 -0.02 -0.04 -0.06 -0.03 0.09 0.04 -0.02 0.04 0.07 -0.02 0.13 0.03 0.03 0.05 -0.04 -0.05 0.08 -0.08 0.03 -0.02 -0.05 -0.02 -0.09 -0.01 0.01 -0.13 0.02 0.14 -0.14 0.12 -0.00 -0.09 -0.05 0.10 -0.13 0.23 -0.04 0.08 -0.02 -0.04 -0.10 -0.01 -0.01 -0.01 -0.13 0.01 -0.05 0.03 0.16 -0.12 0.01 -0.02 -0.14 0.11 -0.07 -0.18 0.10 0.02 -0.00 0.10 0.01 -0.19 0.15 -0.04 -0.08 -0.02 -0.03 -0.11 -0.02 -0.02 -0.01 -0.18 -0.00 0.03 -0.22 0.23 -0.05 -0.01 0.11 -0.05 -0.02 0.17 -0.07 0.05 0.03 0.01 0.04 -0.01 0.02 0.02 0.04 -0.02 0.02 0.06 -0.07 0.02 0.07 -0.11 -0.04 0.17 -0.01 0.13 0.06 -0.02 -0.09 0.11 -0.12 -0.11 0.02 0.04 -0.08 0.06 -0.06 0.01 0.03 -0.05 0.03 0.03 0.00 -0.04 -0.13 0.10 -0.07 -0.14 0.09 0.01 -0.07 0.07 -0.09 -0.04 0.10 0.05 -0.04 0.05 0.02 -0.00 0.13 0.06 -0.09 0.22 0.06 -0.25 0.23 0.25 -0.08 0.07 0.03 -0.07 -0.01 0.05 -0.05 0.02 0.02 -0.05 0.06 -0.00 -0.08 -0.01 0.04 -0.03 0.08 -0.04 0.05 -0.04 0.14 0.16 0.23 -0.09 0.04 -0.03 0.05 -0.03 0.01 -0.07 -0.28 0.02 0.01 0.00 0.03 0.05 -0.04 0.16 0.18 -0.05 -0.00 -0.09 0.03 -0.04 -0.01 0.12 0.12 -0.18 0.02 0.01 -0.15 0.05 -0.07 -0.01 0.08 0.03 -0.09 0.03 -0.17 -0.14 -0.08 -0.17 -0.15 0.05 -0.15 -0.08 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 -0.04 0.01 0.01 -0.16 0.10 0.20 -0.07 0.06 0.08 -0.17 -0.06 0.30 -0.02 0.02 0.06 0.02 0.03 0.09 0.00 0.02 0.02 0.02 0.03 0.00 -0.01 0.05 -0.00 0.10 -0.00 0.06 0.03 0.02 -0.05 0.04 0.03 -0.05 0.01 0.01 -0.07 0.01 -0.07 -0.00 0.00 -0.04 -0.05 0.03 -0.05 -0.01 -0.03 0.10 -0.02 -0.12 0.06 0.35 -0.03 -0.02 -0.02 -0.03 -0.08 0.00 -0.01 -0.11 0.02 0.10 -0.03 0.05 -0.01 -0.06 -0.04 0.08 -0.08 0.08 -0.09 -0.01 0.04 0.01 0.04 -0.02 0.05 0.08 0.02 -0.05 0.02 0.10 0.72 0.08 -0.18 0.04 -0.03 0.02 0.11 -0.11 -0.09 -0.01 -0.01 0.06 0.02 -0.01 -0.02 0.02 0.00 -0.02 0.01 -0.00 -0.02 0.07 0.02 0.05 0.08 0.06 0.02 -0.01 0.02 -0.05 -0.00 -0.01 -0.03 -0.04 0.00 -0.07 0.08 0.02 -0.04 -0.00 0.02 -0.07 0.07 -0.02 -0.07 -0.02 0.03 0.03 0.00 0.04 0.03 -0.04 0.01 0.03 -0.00 -0.04 -0.02 -0.04 -0.03 -0.04 -0.03 -0.02 0.00 -0.07 -0.04 -0.01 -0.01 -0.07 -0.04 -0.04 -0.12 0.05 -0.04 0.04 0.02 -0.05 0.03 0.06 -0.02 -0.00 -0.01 -0.03 0.07 -0.01 -0.03 0.04 0.00 -0.02 0.05 0.01 0.04 -0.04 -0.06 0.07 -0.13 0.35 0.04 -0.06 -0.04 0.02 -0.06 -0.06 0.00 -0.08 -0.05 -0.17 -0.00 0.20 0.03 -0.05 -0.05 -0.03 0.00 0.02 -0.08 0.02 0.05 -0.04 -0.06 0.02 0.03 0.06 -0.08 -0.06 0.04 0.06 0.41 0.15 -0.15 -0.09 0.09 -0.03 -0.25 0.32 0.25 -0.00 -0.02 -0.04 -0.04 0.05 0.02 -0.04 -0.01 0.02 -0.03 -0.01 0.02 0.02 0.08 -0.09 0.02 0.05 -0.06 0.01 -0.06 0.09 0.03 -0.04 0.08 0.08 -0.04 0.10 -0.00 -0.00 -0.12 -0.01 -0.03 -0.10 -0.01 0.03 -0.09 0.06 -0.09 -0.03 0.09 -0.10 -0.04 0.07 -0.10 -0.02 -0.01 0.01 0.15 -0.00 0.11 0.20 0.04 -0.01 0.08 -0.01 0.02 -0.00 0.00 0.02 -0.07 0.01 -0.06 0.06 0.12 -0.06 -0.05 0.14 -0.05 -0.11 0.06 -0.05 -0.06 0.06 -0.04 -0.07 0.06 -0.01 -0.05 0.04 -0.10 -0.05 -0.01 0.09 0.02 -0.16 0.17 -0.16 -0.01 -0.02 -0.02 -0.02 -0.10 0.00 -0.02 -0.09 -0.02 -0.13 0.03 0.15 0.00 -0.07 0.00 -0.04 0.02 0.03 -0.05 0.04 -0.02 -0.06 -0.00 0.06 -0.02 0.07 0.13 0.05 0.01 -0.02 -0.29 0.02 0.09 -0.03 -0.01 -0.01 -0.06 -0.00 0.01 0.02 0.01 -0.02 -0.01 -0.04 -0.01 -0.04 -0.06 0.07 -0.05 -0.03 0.07 -0.01 0.02 0.09 0.03 0.13 0.01 0.03 -0.03 -0.00 0.14 -0.06 0.03 -0.03 -0.08 -0.09 -0.03 -0.03 -0.00 0.03 -0.03 0.02 -0.03 0.00 0.02 0.08 0.05 0.00 -0.01 0.06 0.07 -0.22 -0.10 -0.30 0.01 0.03 0.02 0.04 0.03 0.04 0.03 0.04 -0.01 0.01 0.04 0.00 -0.00 0.05 0.01 -0.02 0.06 -0.03 -0.00 0.02 -0.06 -0.01 0.01 -0.04 0.00 0.01 -0.07 0.03 -0.03 -0.00 0.03 -0.01 0.00 0.02 -0.03 -0.01 0.01 0.02 -0.15 0.08 -0.17 0.69 0.02 -0.04 -0.04 -0.02 -0.06 0.04 -0.04 -0.03 0.01 -0.02 0.04 -0.09 0.01 -0.02 0.05 -0.08 0.04 -0.02 0.04 -0.04 -0.10 0.04 0.13 0.12 -0.01 -0.02 -0.04 -0.04 0.01 0.00 0.34 0.02 -0.13 -0.03 0.02 -0.08 -0.05 0.00 -0.08 -0.03 0.01 -0.00 0.00 -0.02 -0.10 0.05 -0.00 0.09 -0.01 0.02 0.10 -0.01 -0.01 -0.02 -0.04 0.00 -0.03 -0.02 -0.11 -0.04 0.11 -0.09 -0.03 -0.02 -0.12 -0.06 0.02 0.05 -0.01 -0.04 0.06 -0.04 0.02 0.02 -0.04 0.06 0.06 0.09 -0.01 0.01 0.03 -0.50 -0.39 -0.36 -0.00 -0.04 -0.01 -0.03 -0.04 -0.02 -0.00 -0.07 0.02 0.05 -0.07 0.01 0.02 -0.06 -0.00 0.01 -0.04 -0.03 0.05 -0.06 0.07 0.06 -0.04 -0.00 -0.00 -0.01 0.11 -0.03 -0.01 0.03 -0.04 0.01 0.04 -0.05 -0.00 0.02 -0.06 0.06 0.00 -0.00 0.03 0.05 -0.07 0.12 0.00 -0.03 0.15 -0.01 0.00 0.14 0.01 -0.01 -0.02 -0.00 -0.08 0.08 -0.01 0.01 -0.00 -0.02 -0.04 0.04 -0.04 0.03 0.05 0.07 0.05 -0.06 -0.09 -0.11 0.17 -0.13 0.17 0.25 -0.26 -0.00 -0.03 -0.05 0.06 -0.27 -0.28 -0.14 0.13 -0.21 -0.00 -0.01 -0.02 0.07 -0.04 0.11 0.07 0.04 0.09 0.09 -0.15 -0.02 0.07 -0.12 -0.03 -0.01 0.03 0.02 -0.07 0.08 -0.02 0.03 0.07 0.09 0.01 0.01 -0.07 -0.04 0.05 -0.11 0.04 -0.02 -0.11 -0.07 0.10 -0.08 -0.07 0.12 -0.08 0.02 0.18 -0.01 0.08 -0.04 0.04 0.12 -0.03 0.08 0.06 0.03 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.03 -0.12 0.03 -0.07 -0.05 0.05 -0.10 -0.07 0.04 -0.04 -0.01 0.03 -0.13 0.04 -0.13 0.20 0.03 -0.03 0.14 0.03 -0.03 0.13 0.05 0.01 0.07 -0.01 0.08 -0.16 0.05 -0.01 0.07 -0.04 -0.07 0.10 -0.02 -0.01 0.04 -0.07 0.08 -0.01 -0.02 -0.04 0.10 -0.07 0.03 -0.04 -0.06 -0.00 0.00 0.04 -0.06 -0.04 -0.06 0.14 0.05 -0.02 0.15 -0.14 -0.15 0.19 -0.12 0.05 0.00 0.03 0.15 -0.11 -0.11 -0.10 0.13 -0.17 0.02 0.01 -0.03 0.02 -0.00 -0.06 0.02 0.01 -0.06 -0.12 0.29 -0.02 -0.10 0.16 0.08 -0.04 -0.01 -0.06 0.02 -0.08 -0.01 -0.04 -0.03 -0.14 0.01 0.01 -0.00 0.01 0.05 -0.03 0.01 -0.03 -0.03 0.08 -0.23 0.17 0.14 -0.28 0.10 0.05 -0.32 0.20 0.03 -0.03 -0.04 0.09 -0.17 -0.07 0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.01 -0.02 0.01 -0.02 -0.02 0.00 -0.05 -0.00 0.02 -0.05 0.00 0.06 -0.02 -0.01 0.02 0.07 -0.08 0.22 0.06 -0.02 0.12 0.08 0.05 0.13 0.00 -0.05 -0.05 0.06 -0.06 -0.12 0.00 -0.00 -0.03 0.04 0.00 -0.04 0.01 -0.02 -0.03 -0.04 0.02 -0.05 0.04 0.01 -0.02 -0.05 -0.03 -0.05 0.05 -0.05 -0.01 -0.01 -0.08 -0.04 -0.01 -0.01 0.09 -0.04 0.04 -0.05 0.13 0.03 -0.10 -0.06 -0.00 0.01 -0.20 0.15 0.21 -0.03 0.04 -0.05 -0.02 -0.01 0.11 -0.03 0.04 -0.03 0.01 0.01 -0.03 -0.01 -0.02 0.05 0.01 0.06 -0.01 0.09 0.02 0.07 -0.03 -0.02 0.08 -0.00 -0.03 0.07 0.01 0.05 -0.01 -0.03 0.06 -0.03 0.00 0.02 -0.03 -0.07 -0.03 -0.09 -0.03 0.04 0.01 0.40 0.39 0.24 0.00 -0.03 -0.00 0.02 -0.10 -0.03 0.00 -0.06 0.03 0.02 -0.06 0.00 0.01 -0.05 -0.00 0.06 -0.07 0.03 0.04 -0.07 0.07 0.05 -0.06 -0.01 -0.01 -0.03 0.10 0.03 -0.02 0.07 0.03 -0.00 0.04 0.03 0.02 0.04 -0.04 0.02 -0.10 0.04 -0.13 0.51 -0.04 0.02 -0.05 -0.02 0.09 -0.05 0.00 0.05 -0.01 0.04 -0.02 -0.00 -0.05 0.04 -0.06 0.03 -0.04 0.01 0.17 -0.09 -0.13 0.06 -0.04 -0.01 -0.09 -0.01 0.08 -0.06 -0.06 0.04 0.41 -0.09 -0.10 0.04 -0.01 0.00 0.06 -0.05 -0.04 0.01 -0.04 0.05 0.03 0.01 0.01 0.03 0.05 -0.04 0.03 0.04 -0.04 -0.11 0.06 0.05 -0.10 0.05 0.06 -0.03 0.02 0.00 -0.03 -0.02 0.03 -0.03 0.01 -0.04 0.00 0.09 -0.03 -0.05 0.06 -0.04 -0.02 0.07 -0.04 -0.02 -0.09 0.03 -0.01 -0.08 0.06 0.12 0.04 0.13 0.02 -0.01 0.09 0.08 0.05 0.16 0.03 0.06 -0.01 0.01 -0.05 0.02 -0.03 -0.03 -0.01 -0.23 0.10 -0.19 -0.01 0.10 -0.14 -0.02 0.11 -0.10 -0.00 0.10 -0.15 -0.03 0.00 -0.09 -0.02 -0.02 -0.07 -0.02 -0.06 -0.04 0.07 -0.03 -0.07 0.25 -0.11 0.07 0.10 0.09 0.11 -0.13 -0.00 0.23 -0.01 0.08 0.17 0.10 -0.06 -0.01 -0.16 -0.04 0.19 0.15 -0.06 -0.06 -0.06 0.04 0.06 -0.04 -0.01 -0.03 0.03 0.02 0.01 0.08 -0.05 -0.07 -0.22 -0.08 0.05 0.07 0.04 -0.03 0.07 0.16 0.07 0.03 -0.03 -0.03 0.06 0.05 -0.06 -0.03 -0.02 -0.00 0.01 -0.02 -0.01 0.03 -0.01 -0.01 0.06 0.00 -0.02 -0.06 -0.05 0.06 -0.02 -0.00 0.04 0.01 -0.01 0.08 0.02 0.22 0.06 0.06 0.17 0.10 -0.17 0.14 0.09 0.01 0.01 -0.03 0.01 0.02 -0.02 -0.04 -0.02 -0.07 -0.09 -0.03 -0.02 0.33 -0.61 -0.03 -0.07 -0.06 -0.04 -0.03 -0.16 -0.00 -0.07 -0.16 0.05 -0.10 -0.03 -0.11 0.07 0.07 0.02 0.07 0.07 -0.01 0.02 0.03 -0.03 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.06 -0.03 0.07 0.03 0.00 0.00 0.06 -0.07 0.07 -0.02 -0.02 -0.08 -0.07 -0.03 -0.07 -0.07 -0.03 -0.00 -0.00 -0.05 -0.11 -0.10 -0.00 -0.05 0.02 0.03 0.05 -0.02 0.01 -0.09 0.02 0.03 0.00 -0.04 0.01 -0.03 0.01 -0.02 0.08 -0.01 -0.06 -0.06 -0.11 0.00 -0.23 0.51 0.60 -0.01 0.02 -0.02 -0.09 -0.06 0.03 -0.10 0.02 -0.00 -0.09 -0.16 0.04 -0.00 -0.01 0.00 -0.01 -0.04 0.03 0.04 0.10 -0.12 0.06 0.07 -0.10 0.02 0.08 -0.14 0.01 0.04 -0.00 -0.02 0.03 -0.01 -0.01 0.02 -0.01 0.06 0.06 0.03 0.01 0.03 -0.01 -0.15 -0.10 -0.14 -0.00 -0.00 0.01 0.07 -0.11 0.00 -0.01 0.00 0.01 -0.03 -0.01 -0.01 -0.02 -0.03 -0.01 -0.02 -0.04 0.02 -0.01 0.01 0.00 -0.01 0.00 -0.06 -0.03 0.02 0.01 0.05 -0.01 0.03 0.05 0.00 0.00 0.05 0.02 0.01 0.03 -0.06 0.05 0.05 -0.02 -0.17 0.03 -0.01 0.04 0.02 -0.02 0.02 0.04 -0.02 0.02 0.05 0.01 0.01 0.02 -0.03 -0.00 0.00 -0.02 0.06 0.06 0.02 0.02 -0.11 -0.07 -0.08 -0.02 -0.02 0.04 -0.04 0.01 -0.02 0.05 -0.07 -0.01 0.12 0.02 -0.00 0.13 0.18 0.12 -0.00 0.06 0.03 0.09 0.04 -0.06 -0.10 -0.02 -0.05 -0.04 -0.05 -0.06 -0.02 -0.02 0.01 0.01 0.00 -0.01 -0.06 -0.05 0.07 0.01 -0.02 0.05 -0.02 -0.03 0.07 -0.01 -0.03 0.00 -0.07 -0.00 -0.04 0.09 -0.04 -0.04 0.04 0.02 -0.02 -0.01 0.03 0.01 -0.08 -0.02 -0.15 0.02 -0.06 -0.03 -0.32 0.36 -0.05 -0.03 -0.03 0.01 0.03 0.02 -0.03 0.03 0.02 -0.05 0.49 -0.27 0.36 -0.02 0.04 0.01 0.00 0.07 -0.01 -0.07 0.04 -0.00 0.03 0.02 0.05 0.03 0.04 0.04 0.02 -0.03 0.08 0.03 0.02 -0.01 0.04 0.02 -0.03 0.04 0.04 -0.01 -0.09 -0.01 0.00 0.01 -0.02 0.02 0.06 0.06 0.00 -0.09 -0.04 -0.12 0.01 -0.01 0.02 -0.07 0.02 -0.02 0.12 0.08 0.08 -0.00 0.04 -0.00 0.04 0.01 0.01 -0.12 -0.01 0.07 0.02 -0.07 -0.12 -0.18 0.47 0.43 -0.02 0.02 0.04 0.01 -0.00 -0.02 0.13 0.05 0.08 0.14 -0.07 0.11 0.00 0.02 0.00 0.01 0.02 0.01 -0.01 -0.00 0.01 -0.05 -0.01 0.01 0.01 0.01 0.02 -0.01 -0.04 0.01 -0.00 0.00 -0.01 0.05 -0.05 -0.02 -0.05 -0.05 0.00 0.01 -0.04 -0.01 0.13 0.05 0.18 -0.03 -0.08 -0.07 -0.33 0.31 -0.08 -0.07 -0.05 -0.04 0.04 0.01 0.02 0.01 0.03 0.04 -0.08 0.13 -0.11 0.04 0.06 0.02 0.03 0.06 -0.08 -0.04 0.06 0.01 -0.05 0.02 0.01 -0.06 0.04 0.07 -0.10 -0.04 0.04 0.03 0.00 -0.01 0.00 0.01 0.03 0.04 -0.03 -0.00 -0.04 -0.03 0.01 -0.07 -0.01 -0.01 -0.05 -0.04 -0.03 -0.03 0.01 0.03 -0.02 0.05 0.00 -0.04 0.01 -0.02 0.06 0.04 0.05 -0.00 0.03 -0.01 0.02 -0.01 0.01 0.00 0.09 -0.02 -0.02 -0.03 -0.02 -0.04 -0.01 0.01 0.00 -0.06 -0.05 -0.02 -0.01 0.01 0.06 0.01 0.04 0.04 0.00 0.05 0.00 0.01 0.00 0.01 -0.00 0.01 0.01 0.03 -0.03 -0.02 0.02 -0.02 0.01 0.03 -0.03 0.01 -0.03 0.01 0.05 -0.07 0.05 -0.05 0.00 0.06 -0.02 -0.02 0.01 0.00 -0.02 -0.01 0.04 0.01 0.08 -0.01 0.08 0.02 0.29 -0.34 0.01 0.03 0.04 0.01 0.03 0.01 -0.04 0.05 0.00 -0.06 0.57 -0.35 0.44 -0.03 -0.03 0.00 -0.02 -0.02 -0.03 -0.06 -0.00 0.02 -0.02 -0.02 -0.03 -0.02 -0.04 -0.04 -0.00 0.05 -0.07 0.05 -0.01 0.00 0.10 -0.02 -0.02 0.06 0.04 0.02 -0.09 0.02 0.01 -0.01 0.01 0.03 -0.05 -0.01 0.01 -0.10 -0.01 -0.11 -0.01 0.02 -0.02 -0.03 0.04 0.03 0.04 0.02 0.03 -0.00 0.02 0.01 0.05 -0.03 -0.03 -0.18 -0.15 0.10 -0.09 -0.00 0.04 -0.04 -0.25 -0.20 0.02 0.05 0.08 -0.08 -0.02 0.05 0.03 -0.02 0.01 -0.01 0.04 0.01 -0.00 0.01 0.00 0.02 -0.01 0.01 0.03 0.06 -0.06 -0.00 0.03 -0.05 0.02 0.05 -0.07 -0.05 0.14 -0.01 -0.08 0.16 -0.04 0.06 0.15 -0.05 -0.00 -0.00 0.02 0.01 -0.02 -0.01 0.01 -0.02 0.04 0.09 -0.08 0.06 -0.37 0.61 0.09 0.07 -0.03 0.06 -0.01 -0.07 -0.02 -0.05 -0.06 -0.04 0.15 -0.16 0.11 0.01 -0.05 -0.00 0.00 -0.06 0.03 0.01 -0.06 -0.01 -0.01 0.01 -0.02 -0.01 0.02 0.01 -0.02 -0.12 0.06 0.05 -0.02 0.01 0.07 -0.01 -0.05 0.05 0.00 -0.00 -0.05 -0.00 -0.04 -0.03 -0.02 -0.03 0.01 0.01 -0.05 -0.08 -0.05 -0.05 -0.01 0.03 -0.01 0.10 0.15 -0.03 0.08 -0.02 0.06 -0.08 -0.01 -0.02 -0.05 -0.04 -0.02 0.03 -0.12 -0.02 -0.02 0.00 -0.03 -0.07 0.02 0.00 0.00 0.00 0.02 0.01 -0.01 0.00 0.08 -0.02 0.06 0.06 0.00 0.06 -0.08 -0.02 0.02 -0.10 -0.01 0.02 0.01 -0.02 0.02 0.01 -0.03 0.02 -0.03 -0.05 0.01 0.01 0.07 0.03 -0.06 0.04 0.02 -0.02 0.04 0.02 -0.01 -0.03 0.01 -0.05 -0.03 0.03 0.04 0.05 0.02 -0.04 -0.04 -0.02 -0.01 -0.04 -0.00 -0.04 -0.03 -0.05 -0.16 0.01 -0.07 -0.01 -0.08 -0.10 0.33 -0.44 0.42 0.06 0.05 -0.03 0.04 0.03 -0.02 0.09 0.04 -0.04 -0.04 -0.01 0.00 -0.05 0.02 0.02 -0.07 -0.03 0.00 -0.11 -0.00 -0.02 -0.10 -0.02 0.07 -0.12 -0.02 0.02 0.21 -0.06 0.07 0.23 -0.04 0.04 0.09 0.17 -0.01 0.25 -0.03 -0.03 0.09 0.12 -0.06 0.05 0.04 0.02 -0.00 -0.02 0.01 -0.03 0.01 0.04 -0.06 0.01 0.01 0.11 -0.00 -0.04 -0.17 0.07 0.10 -0.09 -0.42 -0.35 -0.01 0.03 0.01 -0.12 -0.02 0.09 -0.01 -0.03 -0.02 -0.08 0.09 -0.04 -0.02 -0.00 0.01 0.01 -0.01 0.01 0.04 0.07 -0.07 0.01 0.04 -0.05 0.04 0.06 -0.08 0.04 -0.11 0.03 0.02 -0.09 0.01 -0.00 -0.17 0.01 0.02 0.01 0.01 -0.01 -0.01 0.00 -0.03 -0.02 -0.02 -0.17 -0.08 -0.15 -0.15 -0.16 -0.17 -0.16 -0.14 -0.13 0.05 0.04 0.01 0.04 0.05 0.05 0.10 0.08 0.01 0.27 0.06 -0.01 0.22 -0.01 0.00 0.23 -0.01 -0.08 -0.00 0.03 0.06 -0.01 0.06 0.08 -0.06 0.04 0.03 0.07 -0.02 0.01 0.08 -0.01 -0.06 0.08 -0.00 0.03 -0.11 -0.05 0.02 -0.06 -0.01 -0.01 0.05 0.07 0.02 -0.12 -0.05 0.02 0.04 0.02 -0.01 0.18 0.26 0.06 0.06 -0.05 0.05 -0.12 0.04 0.10 -0.12 -0.04 0.01 0.16 -0.09 -0.06 0.02 -0.02 -0.03 0.03 0.07 0.04 -0.00 -0.01 0.00 -0.01 0.02 -0.03 0.05 -0.04 0.05 0.06 -0.06 0.05 -0.10 -0.02 0.04 -0.02 0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.03 0.02 -0.01 0.01 -0.03 -0.02 -0.04 -0.04 -0.03 0.02 -0.02 -0.02 0.00 -0.02 0.01 -0.08 -0.03 0.04 -0.00 0.04 -0.04 0.04 0.06 0.03 0.15 -0.15 0.00 0.05 0.03 0.07 0.07 -0.01 0.05 -0.02 0.04 0.06 -0.28 0.30 -0.30 -0.08 -0.06 0.05 -0.07 -0.05 0.06 -0.10 -0.11 0.01 -0.04 -0.04 -0.02 -0.04 -0.00 -0.05 -0.02 0.00 -0.04 0.07 -0.00 -0.01 -0.04 0.03 -0.02 0.06 -0.09 -0.08 -0.09 -0.07 -0.20 -0.07 -0.03 -0.24 0.19 0.26 0.04 -0.10 -0.07 -0.10 0.16 0.24 0.05 -0.01 0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.04 -0.18 0.00 -0.01 0.00 -0.05 0.11 -0.04 0.00 0.00 -0.00 -0.04 -0.00 0.01 -0.03 -0.08 -0.08 0.03 -0.02 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.14 -0.07 0.07 0.01 -0.00 0.01 0.04 -0.05 0.04 -0.14 -0.08 -0.05 0.00 -0.00 -0.01 0.08 0.04 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.03 0.01 0.04 0.01 0.05 -0.02 0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.12 0.05 0.15 0.12 0.19 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.02 0.00 0.00 0.00 -0.00 0.03 0.00 -0.01 0.03 -0.02 -0.04 0.02 0.01 0.60 -0.16 -0.05 -0.03 0.54 0.12 0.00 -0.03 -0.01 0.15 -0.02 -0.02 -0.04 0.01 0.09 -0.06 -0.15 -0.05 0.02 0.01 -0.00 0.02 0.01 -0.01 0.00 -0.08 -0.01 -0.03 0.06 -0.05 0.01 -0.05 0.01 -0.11 0.57 -0.21 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.10 -0.38 -0.40 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.03 0.01 -0.02 -0.02 0.01 0.00 0.11 -0.10 0.12 -0.08 0.13 0.12 0.00 -0.01 0.01 -0.10 0.01 0.09 -0.01 0.11 -0.10 0.01 -0.02 -0.00 -0.08 0.10 -0.01 0.01 -0.02 0.00 0.01 0.00 0.00 0.04 -0.01 -0.11 -0.09 -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.14 0.03 -0.08 0.14 -0.09 0.01 -0.00 0.00 -0.12 0.03 0.01 0.01 -0.11 -0.01 -0.00 0.01 0.00 -0.02 0.01 -0.01 -0.04 -0.06 0.15 0.01 0.03 0.02 0.11 0.06 0.02 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 0.04 0.04 -0.01 -0.01 0.01 -0.02 0.07 -0.03 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.04 -0.05 -0.04 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 0.03 -0.03 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.06 0.03 0.01 0.01 -0.00 -0.03 0.17 0.18 -0.05 -0.04 -0.10 -0.08 0.00 -0.00 0.00 -0.03 -0.00 0.02 -0.00 0.02 -0.03 0.00 0.00 0.00 0.02 0.04 0.03 0.01 0.02 -0.03 -0.03 -0.04 -0.01 -0.27 0.06 0.50 0.46 0.46 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.03 0.03 0.00 0.00 0.00 -0.00 0.03 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.24 0.06 0.02 0.01 -0.20 -0.04 0.01 0.02 0.02 0.04 -0.03 0.06 -0.02 0.00 0.03 0.00 -0.01 -0.06 0.02 -0.00 -0.02 -0.01 -0.01 0.01 0.04 -0.24 -0.01 -0.04 0.15 -0.16 0.00 0.02 -0.01 0.01 -0.15 0.06 -0.00 -0.00 0.00 0.03 0.02 0.01 0.00 0.11 0.11 -0.03 0.02 -0.01 0.01 0.02 -0.00 0.06 0.02 -0.01 0.02 -0.00 -0.02 -0.04 0.08 -0.07 -0.01 0.00 -0.01 0.14 -0.08 0.06 0.00 -0.04 -0.14 0.00 -0.00 0.00 -0.05 0.02 -0.03 0.03 -0.03 -0.03 0.00 -0.04 0.03 -0.40 0.06 0.41 -0.03 0.49 -0.41 -0.00 0.01 0.00 0.02 -0.03 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.02 -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 0.00 -0.00 -0.01 -0.01 0.00 -0.04 -0.01 0.02 -0.04 0.03 0.01 0.00 0.01 -0.03 0.02 -0.03 0.01 -0.03 0.01 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 -0.07 0.01 0.00 0.01 0.01 0.08 -0.00 -0.04 -0.00 -0.00 -0.00 0.03 0.09 0.08 0.02 -0.05 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.02 0.01 0.61 0.25 -0.07 -0.02 0.00 0.01 -0.37 0.25 -0.36 0.00 0.01 -0.00 -0.06 -0.19 0.05 0.00 0.00 0.00 -0.07 -0.00 0.02 0.02 -0.01 0.02 0.10 -0.03 0.04 0.14 0.02 -0.07 0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.01 -0.00 -0.01 0.05 0.02 -0.01 0.04 -0.00 0.05 -0.00 -0.01 -0.00 0.05 0.04 0.05 0.00 0.03 -0.06 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.01 0.00 0.00 -0.01 -0.06 -0.09 0.17 0.17 -0.08 -0.04 0.00 0.00 0.00 -0.00 0.01 -0.03 0.02 -0.01 0.02 -0.01 0.00 -0.00 0.03 -0.02 0.03 -0.00 0.02 0.06 -0.00 0.00 -0.00 -0.00 0.04 -0.04 0.01 -0.03 0.00 -0.02 -0.02 0.05 -0.01 0.03 0.06 0.00 0.00 -0.00 0.04 0.03 0.10 -0.00 0.00 -0.03 0.01 -0.01 0.00 -0.04 0.04 0.00 -0.00 0.00 0.00 0.06 0.01 -0.02 -0.05 -0.03 -0.01 -0.03 0.00 -0.05 0.00 0.00 0.00 -0.10 -0.03 0.03 0.00 -0.00 0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.02 0.02 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.00 -0.08 0.07 -0.07 0.19 0.02 -0.07 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.02 -0.39 -0.28 -0.40 -0.16 -0.09 0.49 -0.00 -0.00 0.00 -0.03 0.01 0.01 0.02 0.02 -0.00 0.01 0.01 -0.02 0.01 0.01 -0.06 -0.11 -0.09 -0.12 -0.01 -0.00 0.01 0.01 -0.19 -0.23 0.26 0.19 -0.02 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.00 -0.02 0.02 0.01 0.00 0.01 0.02 0.03 -0.02 -0.01 -0.01 0.02 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 0.02 0.04 -0.04 0.21 0.55 -0.01 -0.01 0.00 0.02 0.03 -0.02 -0.01 -0.00 0.00 0.08 0.04 -0.00 0.11 -0.02 -0.06 -0.04 0.01 -0.06 0.01 0.00 0.00 -0.04 0.00 0.01 -0.01 -0.01 -0.02 0.55 0.09 -0.18 0.01 -0.00 0.00 0.07 -0.02 0.02 -0.08 -0.05 -0.03 -0.00 0.00 -0.00 0.05 -0.07 0.06 -0.04 0.06 0.06 -0.00 -0.00 0.00 -0.09 -0.03 0.01 0.02 0.08 -0.03 0.00 -0.00 -0.00 -0.03 0.02 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.03 0.02 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.03 0.01 0.00 -0.00 0.01 0.00 0.01 -0.16 0.06 0.04 0.06 -0.02 -0.02 -0.01 0.02 0.12 -0.02 -0.12 -0.05 0.17 -0.19 0.00 -0.00 0.00 0.03 -0.05 0.05 -0.02 0.18 -0.09 -0.03 -0.06 -0.02 -0.14 -0.10 -0.08 0.00 -0.01 -0.00 -0.16 0.01 -0.32 0.08 -0.21 0.07 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.16 -0.00 -0.05 -0.05 0.13 0.12 0.00 0.00 0.01 0.33 0.03 -0.05 0.00 0.00 -0.00 -0.11 0.12 -0.07 -0.00 0.01 0.00 0.01 -0.26 0.17 0.05 -0.06 -0.28 -0.00 0.00 -0.00 0.00 -0.03 0.02 0.05 0.06 0.02 -0.01 0.00 -0.00 0.15 0.12 0.11 -0.01 -0.00 0.01 0.02 0.01 0.01 -0.10 -0.11 -0.13 -0.01 -0.07 0.16 -0.00 -0.00 -0.00 -0.04 0.01 0.02 0.04 0.03 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.03 -0.02 -0.07 -0.07 0.00 -0.00 -0.01 0.01 0.01 0.33 -0.24 -0.02 -0.09 0.00 -0.00 0.01 -0.04 0.02 -0.03 0.01 -0.05 0.08 0.00 0.00 0.00 0.02 0.05 -0.05 0.00 0.14 -0.09 -0.00 0.00 0.02 -0.22 -0.02 0.11 -0.01 -0.00 -0.01 -0.05 -0.13 -0.13 -0.06 0.19 0.13 0.01 0.00 0.01 -0.06 0.01 0.02 -0.01 -0.00 0.00 0.05 0.03 -0.01 -0.15 -0.01 0.04 -0.04 0.03 -0.02 -0.01 0.00 0.00 0.17 -0.03 -0.02 -0.01 -0.00 -0.00 0.24 -0.05 -0.00 0.01 -0.01 -0.00 -0.07 0.08 -0.06 -0.01 0.03 0.12 -0.00 -0.00 0.01 -0.20 0.16 -0.17 0.22 -0.12 -0.18 0.01 0.01 0.01 -0.07 -0.08 -0.10 -0.02 -0.05 0.01 0.01 0.02 0.01 -0.00 -0.14 -0.08 0.02 -0.07 0.09 -0.00 0.00 -0.00 0.03 -0.01 0.01 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.01 0.02 0.07 0.00 -0.06 -0.06 0.01 -0.02 -0.01 -0.04 0.46 0.09 -0.29 -0.13 -0.05 -0.01 -0.00 0.00 0.07 -0.02 -0.01 -0.02 0.09 -0.08 0.00 -0.00 0.00 -0.04 0.04 -0.04 0.04 -0.25 0.04 0.01 0.03 0.06 0.19 0.13 0.08 0.00 -0.01 0.00 0.00 -0.13 -0.05 -0.03 0.08 -0.17 -0.01 0.01 -0.01 0.02 -0.09 0.02 -0.01 -0.01 0.01 0.10 0.05 -0.00 0.22 0.06 -0.01 -0.05 -0.02 -0.11 0.00 0.01 -0.00 0.08 0.02 -0.02 0.01 0.01 0.00 -0.04 -0.13 0.12 0.01 -0.02 -0.01 -0.13 0.32 -0.24 0.08 0.15 0.39 -0.00 -0.00 -0.01 0.11 -0.15 0.12 -0.04 0.18 0.14 0.01 -0.00 0.01 -0.16 -0.11 -0.06 -0.04 0.01 -0.06 0.01 0.01 0.00 -0.08 -0.06 -0.10 0.01 -0.08 0.11 0.00 -0.00 0.01 -0.08 0.04 -0.03 0.01 0.04 -0.02 0.00 0.00 -0.00 0.03 0.04 0.01 -0.05 -0.02 -0.03 0.00 -0.00 -0.01 0.02 -0.10 0.34 -0.20 -0.04 -0.06 -0.00 -0.00 -0.02 0.00 -0.02 0.08 0.00 -0.01 0.03 0.00 0.01 0.00 0.09 -0.03 0.04 -0.06 0.16 0.03 -0.03 -0.07 -0.06 -0.07 -0.09 -0.09 -0.00 0.00 -0.01 -0.10 -0.27 -0.26 -0.02 0.05 0.03 -0.01 0.00 -0.00 0.03 -0.00 -0.01 -0.00 0.00 -0.01 -0.05 0.01 0.03 -0.05 0.01 0.02 -0.01 0.11 0.16 -0.00 0.01 0.01 0.35 0.03 -0.04 -0.00 0.00 -0.00 0.08 -0.06 0.04 0.01 -0.01 -0.01 -0.25 0.01 -0.04 0.06 0.05 0.11 -0.00 -0.00 -0.00 0.13 0.00 0.05 -0.12 -0.01 0.05 0.01 0.01 0.01 -0.04 -0.05 -0.07 -0.06 -0.07 -0.03 -0.00 -0.01 -0.00 -0.00 0.07 0.03 -0.06 0.10 -0.04 -0.00 0.00 -0.01 0.01 -0.01 0.02 0.04 -0.02 0.02 -0.00 0.01 -0.00 -0.12 -0.15 0.21 0.23 -0.14 -0.08 -0.01 0.01 0.00 0.02 -0.30 -0.18 0.29 0.10 0.06 -0.01 -0.00 -0.01 0.04 -0.02 0.02 -0.00 0.03 0.02 -0.00 -0.00 -0.00 -0.07 0.12 -0.11 0.04 -0.14 -0.01 -0.02 0.01 0.16 0.04 0.12 0.16 -0.01 0.00 0.00 0.02 0.04 0.06 -0.01 0.03 0.03 -0.02 0.02 -0.01 0.14 -0.17 0.01 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.08 0.11 0.13 0.03 -0.04 -0.01 -0.00 -0.01 -0.00 -0.07 -0.05 0.02 -0.00 -0.00 0.00 0.04 0.01 -0.02 -0.00 0.00 0.00 0.08 -0.06 0.05 -0.06 -0.05 -0.09 -0.01 -0.01 -0.02 0.45 -0.16 0.27 -0.25 0.27 0.29 -0.00 0.00 -0.00 0.03 0.01 -0.01 0.02 -0.01 0.03 0.02 0.01 -0.01 -0.12 -0.03 -0.12 -0.00 -0.07 0.13 -0.00 -0.01 -0.00 -0.05 0.02 0.01 0.05 0.02 0.01 -0.00 0.00 -0.00 0.03 0.04 0.03 -0.05 -0.06 -0.06 0.00 -0.02 0.00 -0.03 0.31 -0.12 -0.07 -0.11 0.04 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 0.01 -0.03 0.01 -0.00 0.00 -0.08 0.05 -0.05 0.10 -0.25 -0.08 0.02 0.04 0.08 0.15 0.10 0.06 0.00 -0.00 0.00 0.01 0.26 0.08 0.07 -0.17 0.10 -0.00 -0.00 0.01 0.01 0.05 -0.02 0.01 0.02 -0.01 -0.16 -0.02 0.04 0.03 -0.03 -0.04 0.13 -0.20 -0.07 0.01 -0.01 -0.01 -0.13 -0.11 0.04 0.01 0.00 -0.00 -0.08 0.18 -0.12 -0.01 -0.01 -0.01 0.09 0.23 -0.15 -0.09 0.03 0.22 -0.00 0.00 0.00 -0.04 0.04 -0.04 0.05 -0.03 -0.04 -0.00 -0.03 0.00 -0.00 0.07 0.16 0.02 0.13 -0.08 -0.00 0.00 0.00 0.02 0.00 0.02 0.04 -0.05 -0.02 -0.00 -0.00 -0.01 -0.01 -0.00 0.03 0.06 0.00 0.02 -0.01 0.00 -0.01 0.03 0.06 0.41 0.19 -0.22 -0.15 0.00 0.00 0.00 0.00 0.02 0.04 -0.04 0.01 -0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.03 0.01 0.00 0.07 0.00 -0.00 0.00 -0.06 0.17 -0.16 0.06 0.00 -0.14 -0.02 0.01 0.20 -0.16 0.04 0.18 0.00 -0.01 0.01 0.09 -0.04 0.16 -0.06 0.16 -0.10 0.01 0.00 -0.01 -0.03 -0.03 0.02 0.02 -0.01 -0.02 -0.11 0.03 0.07 0.03 0.02 0.01 0.03 0.06 0.15 -0.00 -0.01 -0.00 -0.21 0.19 -0.02 -0.00 -0.00 0.00 0.05 -0.12 0.08 -0.00 0.01 0.00 -0.08 -0.20 0.13 0.04 -0.04 -0.19 0.00 -0.00 0.00 -0.09 -0.08 -0.00 0.13 0.10 0.02 0.00 0.01 -0.01 -0.03 -0.05 -0.10 0.00 -0.05 0.05 -0.00 0.00 0.00 -0.00 -0.04 -0.02 0.02 -0.04 0.01 0.00 0.00 0.00 -0.14 0.08 -0.09 0.02 0.03 -0.00 -0.01 0.01 -0.01 -0.03 -0.02 0.45 0.30 -0.20 -0.12 0.00 -0.00 -0.00 -0.00 0.06 0.03 -0.06 -0.03 -0.01 0.00 0.00 -0.00 -0.10 0.03 0.02 0.01 -0.08 0.01 -0.00 0.02 -0.00 0.10 -0.01 0.03 -0.10 0.12 0.16 -0.14 -0.18 0.06 0.09 -0.13 -0.24 -0.01 0.01 0.01 0.08 -0.15 0.10 -0.03 0.06 -0.12 -0.01 0.00 0.01 0.02 0.05 -0.02 -0.00 0.00 0.00 -0.02 0.00 0.01 0.18 -0.02 -0.09 0.03 -0.09 -0.07 -0.00 0.01 -0.01 -0.08 -0.00 0.00 -0.00 0.01 -0.00 0.05 -0.28 0.20 -0.00 0.01 0.01 0.27 -0.06 0.07 -0.16 -0.12 -0.16 -0.00 0.00 0.00 0.02 0.09 -0.04 -0.06 -0.11 -0.06 -0.01 0.02 -0.00 -0.06 -0.09 -0.14 0.02 -0.04 0.08 0.00 0.00 0.00 -0.02 0.01 -0.01 0.02 -0.03 0.01 -0.01 -0.00 -0.01 0.13 -0.08 0.12 0.03 -0.02 0.02 -0.00 -0.00 -0.00 0.05 0.06 0.08 -0.02 -0.05 -0.04 0.00 0.01 -0.01 0.04 -0.32 0.33 -0.09 0.07 -0.08 0.01 0.01 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.12 -0.00 -0.01 0.00 -0.22 0.05 -0.06 0.15 -0.18 -0.22 0.11 0.20 0.11 0.09 0.03 -0.00 0.01 -0.01 -0.02 -0.11 0.04 -0.19 -0.04 0.11 -0.06 0.01 0.00 -0.01 -0.05 -0.03 0.02 -0.01 0.01 0.01 -0.01 -0.03 -0.03 -0.06 0.02 0.04 0.04 -0.13 -0.12 -0.00 0.01 0.01 0.25 -0.20 0.02 -0.01 -0.00 0.00 0.08 -0.14 0.09 -0.01 0.00 0.00 0.35 0.04 0.01 -0.13 -0.09 -0.09 0.01 -0.00 -0.00 -0.14 -0.17 0.02 0.13 0.16 0.06 -0.01 0.00 0.00 -0.02 -0.05 -0.08 0.04 -0.01 0.08 -0.02 0.00 -0.00 0.05 0.03 0.06 0.12 -0.16 -0.07 -0.00 -0.01 0.01 -0.12 0.06 -0.04 0.03 0.06 -0.01 -0.00 -0.01 -0.00 0.21 0.27 0.13 -0.13 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.09 -0.12 0.14 -0.01 0.07 0.01 0.00 0.00 -0.08 0.03 0.01 0.00 -0.05 -0.06 0.00 0.00 0.01 0.11 0.04 -0.02 -0.14 0.05 0.27 -0.02 -0.05 -0.06 -0.07 0.11 0.22 0.02 -0.02 -0.01 -0.06 0.24 -0.04 -0.06 0.16 -0.07 0.00 -0.01 -0.01 -0.03 -0.06 0.02 0.00 0.01 -0.00 -0.04 -0.02 0.00 -0.04 0.03 0.05 0.03 -0.02 0.02 0.00 -0.01 -0.00 0.00 -0.06 0.01 -0.00 -0.00 -0.00 0.09 -0.15 0.09 -0.00 0.00 0.00 0.07 -0.01 0.02 -0.01 -0.02 -0.05 -0.02 -0.01 0.01 0.39 0.39 -0.01 -0.19 -0.23 -0.08 0.01 -0.01 0.00 -0.10 -0.06 -0.03 0.04 0.06 0.00 0.01 0.01 0.00 -0.03 -0.01 -0.04 -0.06 0.08 0.05 0.00 0.01 -0.01 0.20 -0.10 0.02 -0.12 -0.13 0.01 0.00 0.00 0.00 -0.07 -0.09 0.00 0.02 -0.09 -0.07 0.00 -0.00 -0.00 -0.01 0.07 0.02 -0.04 -0.07 0.02 -0.00 0.00 -0.00 -0.02 0.01 0.01 0.01 -0.03 0.05 -0.01 -0.00 0.00 0.07 0.09 -0.09 -0.20 0.27 0.31 0.04 0.07 -0.04 -0.17 -0.03 0.09 -0.01 0.01 0.00 0.05 -0.21 0.02 0.03 -0.07 0.09 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.07 0.03 -0.00 -0.05 -0.01 0.01 -0.05 0.04 -0.00 0.00 0.01 0.00 -0.01 0.11 -0.02 0.00 -0.00 0.00 -0.03 0.16 -0.11 0.00 0.00 0.00 -0.17 -0.04 0.01 0.11 0.05 0.01 -0.02 -0.01 0.01 0.30 0.30 -0.02 0.07 -0.03 -0.05 -0.00 0.01 -0.00 0.07 0.04 0.02 -0.04 -0.06 -0.01 -0.02 0.01 -0.00 0.03 0.03 0.04 0.18 -0.25 -0.05 0.00 0.00 0.00 0.08 -0.04 -0.02 -0.08 -0.07 0.00 -0.01 -0.02 -0.01 0.34 0.45 0.25 -0.20 -0.01 -0.04 -0.00 0.01 -0.00 0.01 -0.11 -0.01 0.06 -0.02 0.04 -0.01 -0.00 -0.00 0.05 -0.02 -0.02 0.01 0.02 0.11 -0.00 -0.00 0.00 0.04 -0.02 0.02 -0.00 -0.00 0.00 0.06 0.07 -0.11 0.08 -0.04 -0.13 -0.00 0.01 0.00 -0.03 -0.24 -0.12 0.06 -0.17 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.05 0.04 -0.06 -0.00 0.02 0.02 -0.12 -0.14 0.00 0.01 0.01 0.16 0.12 -0.04 0.00 0.00 0.01 -0.14 0.11 -0.06 -0.00 -0.00 -0.00 0.39 0.18 -0.08 -0.23 -0.09 0.06 -0.01 -0.01 0.01 0.23 0.23 -0.01 0.07 -0.02 -0.03 -0.02 0.01 -0.00 0.14 0.06 0.01 -0.00 -0.07 0.07 0.00 -0.00 0.00 -0.03 -0.05 -0.04 -0.07 0.08 0.04 0.01 0.01 0.00 -0.06 0.05 -0.13 -0.07 -0.06 0.00 -0.00 0.00 -0.01 -0.10 -0.13 0.07 0.22 0.05 0.07 -0.00 -0.00 -0.00 -0.01 0.04 -0.04 0.01 -0.01 0.01 0.02 -0.00 0.01 -0.07 0.02 0.00 -0.02 0.01 -0.28 0.00 0.01 -0.00 0.01 -0.17 0.18 -0.01 0.03 -0.01 -0.11 -0.17 -0.00 0.08 -0.08 -0.19 -0.01 0.00 -0.01 0.10 -0.28 0.10 -0.02 0.08 0.12 0.00 0.01 -0.01 -0.05 -0.04 0.03 0.00 0.01 0.01 -0.04 -0.01 0.01 0.02 0.03 0.02 0.04 -0.09 -0.07 -0.00 0.01 -0.01 -0.06 0.03 -0.01 0.00 -0.02 0.01 0.01 0.31 -0.23 -0.01 -0.00 0.00 0.25 0.08 -0.03 0.06 0.02 -0.03 0.01 0.00 -0.00 -0.07 -0.07 0.01 -0.09 -0.04 0.01 -0.01 0.01 -0.01 0.11 0.02 -0.06 -0.00 -0.12 0.10 0.01 0.00 -0.00 0.01 0.00 0.00 -0.04 0.07 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.03 0.01 0.01 -0.00 0.00 0.01 0.01 -0.10 -0.14 -0.13 -0.06 -0.10 -0.08 0.00 0.01 -0.01 0.02 -0.16 0.19 -0.05 -0.06 0.02 -0.01 -0.00 -0.01 0.02 0.00 -0.08 0.05 -0.07 0.44 -0.00 -0.00 -0.00 0.13 0.15 -0.15 -0.12 -0.09 0.30 -0.01 -0.01 0.00 0.20 0.08 -0.00 -0.01 0.01 -0.00 0.02 0.10 0.07 -0.02 0.05 0.01 -0.01 -0.00 0.00 0.02 0.02 -0.02 0.01 0.01 0.00 -0.04 -0.05 -0.03 0.01 -0.01 -0.01 0.02 -0.00 0.03 -0.00 -0.00 -0.01 -0.06 -0.17 0.04 -0.00 0.00 -0.00 0.07 -0.07 0.04 -0.01 0.00 0.00 -0.04 -0.04 0.03 0.10 0.03 -0.05 -0.02 -0.02 0.01 0.28 0.29 -0.02 0.42 0.19 -0.03 0.00 -0.00 -0.00 -0.06 -0.03 -0.02 0.01 0.03 -0.01 -0.02 -0.01 -0.00 0.09 -0.02 0.06 0.02 -0.00 -0.07 0.01 -0.00 0.00 -0.29 0.17 -0.27 -0.01 -0.04 0.02 -0.00 0.01 0.01 -0.07 -0.09 -0.20 -0.02 0.09 0.07 0.00 0.01 -0.00 0.02 -0.17 0.15 -0.02 -0.03 0.01 -0.01 0.00 -0.01 -0.02 0.00 0.01 0.02 -0.05 0.16 0.02 0.01 -0.01 0.05 0.03 -0.03 0.09 -0.16 -0.11 -0.14 -0.22 0.15 -0.00 0.11 0.16 -0.01 -0.00 0.02 -0.05 -0.06 -0.11 0.04 -0.09 0.12 -0.00 -0.01 0.01 0.05 0.05 -0.03 -0.00 -0.01 0.01 -0.03 0.01 0.04 -0.04 -0.03 -0.01 0.01 -0.04 -0.02 0.01 -0.00 0.01 0.07 0.24 -0.06 0.00 0.01 -0.02 0.14 -0.26 0.17 -0.03 -0.01 0.00 0.35 0.11 -0.04 0.25 0.09 -0.07 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.09 -0.07 -0.06 0.02 0.05 0.01 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.01 0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 -0.03 -0.03 -0.00 -0.01 0.01 -0.03 0.21 -0.23 0.05 0.05 -0.01 -0.02 0.01 -0.02 0.03 -0.01 0.01 0.05 -0.09 0.48 0.00 0.00 -0.01 0.05 0.03 -0.03 0.12 0.08 -0.32 -0.01 -0.02 -0.00 -0.11 -0.14 -0.15 -0.01 0.00 0.00 -0.08 0.21 -0.08 -0.12 0.31 -0.14 -0.01 0.01 0.01 0.02 -0.08 0.03 0.00 0.01 -0.00 -0.06 -0.04 -0.01 0.13 0.03 -0.01 0.04 -0.04 0.01 -0.01 0.00 0.00 0.10 -0.21 0.04 0.00 -0.02 0.01 -0.01 0.17 -0.13 -0.01 -0.00 0.00 0.05 0.00 0.01 0.14 0.05 -0.04 0.01 0.00 0.00 -0.01 0.02 -0.01 -0.19 -0.16 -0.03 0.01 -0.00 -0.00 0.01 -0.02 -0.04 0.03 -0.04 0.06 0.01 -0.01 0.01 -0.09 0.03 -0.04 -0.04 0.04 0.04 0.00 0.01 0.00 0.04 -0.01 -0.01 -0.05 -0.02 -0.01 -0.01 -0.01 -0.02 0.09 0.12 0.16 0.17 0.18 0.17 0.00 -0.02 0.01 -0.00 0.00 0.01 -0.05 0.36 -0.27 -0.01 -0.00 -0.00 0.02 -0.01 -0.03 0.02 -0.02 0.19 0.00 0.01 -0.01 0.07 -0.19 0.19 0.09 -0.16 -0.11 -0.08 -0.16 -0.11 0.08 0.05 0.02 0.02 -0.01 0.02 -0.14 0.29 -0.17 -0.16 0.39 -0.24 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.00 0.07 0.07 0.04 0.04 -0.00 -0.01 -0.06 0.05 -0.01 -0.00 -0.03 0.01 0.01 0.45 -0.11 0.00 -0.02 0.02 -0.08 0.25 -0.17 0.00 -0.01 -0.00 0.11 0.06 -0.04 -0.04 -0.01 0.03 -0.01 -0.01 -0.00 0.04 0.02 0.01 0.21 0.16 0.02 0.01 -0.01 -0.00 0.02 -0.02 -0.04 0.04 -0.05 0.08 -0.01 -0.00 -0.00 0.05 0.02 0.06 0.05 -0.05 -0.06 -0.00 -0.01 -0.00 -0.02 -0.00 0.03 0.06 0.01 0.01 0.00 0.01 0.01 -0.03 -0.04 -0.09 -0.08 -0.04 -0.05 -0.00 -0.00 0.00 0.00 -0.03 -0.05 0.05 0.05 -0.01 -0.00 -0.00 0.01 0.05 -0.01 -0.03 -0.01 0.05 -0.05 0.00 -0.01 -0.00 -0.20 0.09 -0.10 0.03 0.03 -0.04 0.09 0.17 0.16 0.00 -0.07 -0.08 -0.00 -0.01 0.00 0.06 -0.20 0.05 0.03 -0.06 0.03 -0.00 0.01 0.00 0.01 -0.14 0.06 -0.00 0.00 0.00 0.06 0.01 -0.02 0.15 0.06 0.02 -0.01 -0.01 -0.05 0.00 0.01 -0.00 0.02 -0.09 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.02 0.01 -0.00 -0.14 -0.06 0.02 -0.33 -0.14 0.05 -0.00 -0.01 0.00 0.06 0.06 -0.00 0.10 0.05 -0.00 0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.02 -0.02 -0.02 -0.01 -0.02 0.00 0.05 0.11 0.11 0.05 -0.02 -0.10 0.00 -0.00 -0.00 -0.05 0.03 -0.04 0.01 -0.00 0.01 0.01 0.01 0.02 -0.03 -0.05 -0.10 -0.13 -0.11 -0.11 0.00 -0.03 0.01 -0.03 0.21 -0.16 -0.06 0.54 -0.40 0.01 0.00 -0.00 -0.06 0.03 -0.02 0.02 -0.05 0.05 -0.00 -0.00 0.00 0.05 0.15 -0.14 -0.05 0.11 0.04 0.02 0.04 0.05 -0.03 -0.06 -0.05 0.00 0.00 -0.02 0.03 -0.01 0.04 0.08 -0.20 0.11 0.00 0.01 -0.01 -0.03 -0.12 0.05 0.01 -0.01 -0.00 -0.07 -0.02 0.02 0.05 0.06 0.04 0.00 0.04 0.08 0.00 -0.01 -0.01 -0.09 0.18 -0.04 -0.00 0.01 -0.01 0.02 -0.08 0.06 -0.03 -0.01 -0.00 0.19 0.08 -0.04 0.53 0.22 -0.07 -0.00 -0.00 -0.00 0.03 0.00 0.01 0.06 0.06 0.01 -0.01 -0.00 -0.00 0.05 0.05 0.06 0.00 0.04 -0.02 -0.00 -0.01 0.01 -0.01 0.03 0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.02 0.03 -0.00 0.04 0.09 0.08 0.00 -0.02 0.00 0.00 -0.00 0.03 -0.06 0.29 -0.22 -0.01 -0.01 0.01 0.08 -0.04 0.06 -0.06 0.13 -0.31 0.00 -0.01 0.00 -0.12 0.03 -0.04 -0.13 -0.03 0.30 0.03 0.06 0.11 0.06 0.11 0.12 0.00 -0.00 -0.00 0.03 -0.06 0.03 0.01 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 -0.00 -0.05 -0.02 -0.00 0.01 0.01 0.00 0.04 -0.03 0.01 -0.00 0.01 -0.00 0.04 -0.20 0.05 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 0.00 -0.02 -0.01 -0.01 0.07 -0.01 0.03 0.38 0.33 0.05 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.06 -0.01 -0.03 0.03 -0.00 -0.01 -0.01 0.00 0.14 -0.09 0.15 0.00 0.03 -0.02 -0.01 -0.00 -0.02 -0.09 -0.11 0.13 0.33 0.16 0.18 -0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.08 -0.01 -0.03 0.02 -0.01 0.21 -0.02 -0.02 -0.00 -0.14 -0.10 0.08 -0.04 0.07 0.06 0.28 0.40 -0.28 -0.01 -0.02 -0.03 0.02 -0.01 -0.01 0.02 -0.08 0.01 0.02 -0.03 0.05 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 -0.00 0.00 0.05 0.02 -0.01 -0.01 0.00 0.01 -0.01 -0.03 -0.07 0.00 0.00 0.00 -0.01 0.05 -0.01 0.00 0.00 -0.00 0.02 -0.02 0.01 0.01 0.01 0.00 -0.09 -0.04 0.02 -0.17 -0.07 0.02 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.08 -0.05 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.07 -0.05 -0.07 -0.03 0.01 0.06 -0.00 0.00 -0.01 -0.03 0.01 0.01 0.09 -0.01 0.03 -0.01 -0.02 -0.02 0.13 0.17 -0.03 0.11 0.35 0.31 -0.00 0.00 -0.00 -0.01 0.05 -0.02 -0.00 -0.05 0.03 0.00 0.01 -0.01 0.03 0.00 -0.03 0.03 -0.04 0.25 0.02 -0.01 -0.03 -0.39 -0.02 -0.03 -0.11 0.16 0.18 -0.11 -0.07 0.55 -0.06 -0.03 0.00 -0.01 0.01 -0.02 -0.07 0.21 -0.06 0.06 -0.13 0.13 0.00 0.01 -0.00 -0.01 -0.04 0.02 -0.01 -0.02 -0.00 0.10 0.09 0.04 -0.07 0.02 0.04 -0.06 0.04 -0.03 0.00 -0.03 0.00 -0.13 0.50 -0.11 -0.00 0.01 -0.01 0.10 -0.15 0.09 0.02 0.00 -0.00 -0.07 0.01 -0.02 -0.32 -0.12 0.10 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 0.01 0.00 -0.01 0.00 0.01 0.05 0.09 0.00 0.08 -0.06 0.00 -0.00 0.00 -0.03 -0.01 -0.02 -0.04 0.05 0.02 0.00 -0.00 0.01 -0.02 0.01 -0.03 -0.04 0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.02 0.06 0.11 0.13 0.13 0.00 -0.00 -0.00 0.02 -0.12 0.11 -0.03 0.09 -0.08 0.01 0.01 -0.01 -0.06 0.03 -0.02 0.03 -0.08 0.18 -0.01 -0.00 0.01 0.19 0.01 0.00 0.01 -0.24 0.11 0.03 -0.01 -0.25 0.09 0.19 0.21 -0.00 -0.01 -0.00 0.13 -0.30 0.12 -0.01 0.05 -0.10 -0.00 -0.00 0.01 0.01 0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 0.05 -0.01 -0.03 -0.01 0.02 0.02 0.01 0.00 -0.01 -0.12 0.17 -0.04 0.01 -0.00 0.02 -0.13 0.20 -0.11 -0.00 0.00 0.01 0.04 -0.02 0.02 0.04 -0.00 -0.06 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.02 0.00 -0.23 -0.21 -0.24 0.00 -0.06 0.05 0.00 -0.00 0.00 -0.03 -0.03 -0.03 -0.06 0.07 0.03 0.00 -0.00 0.00 -0.04 0.02 -0.04 -0.02 -0.00 -0.01 -0.00 -0.01 -0.01 0.05 0.06 0.03 0.11 0.18 0.17 -0.00 -0.00 0.00 -0.02 0.14 -0.08 -0.01 -0.05 0.03 0.00 -0.01 0.01 -0.03 0.00 0.00 -0.02 0.02 -0.14 -0.01 -0.01 0.01 0.21 0.18 -0.16 0.05 0.09 -0.17 0.01 -0.01 -0.12 -0.34 0.09 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.03 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 0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.02 -0.00 -0.01 0.03 -0.04 0.02 0.19 0.20 0.04 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.12 -0.17 -0.02 -0.01 0.03 -0.02 0.55 -0.30 0.42 -0.04 -0.01 -0.01 -0.00 0.01 0.00 -0.04 -0.04 -0.08 0.02 0.05 0.04 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.06 0.01 0.01 0.00 -0.01 -0.04 0.00 0.01 -0.01 0.21 0.03 -0.02 0.02 -0.04 -0.04 -0.25 -0.38 0.15 0.00 0.03 0.03 -0.01 -0.01 0.01 -0.01 -0.05 -0.02 -0.08 0.17 -0.07 -0.01 0.00 0.00 -0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.37 0.00 -0.13 0.04 -0.14 -0.14 -0.00 0.00 0.01 0.03 -0.02 0.01 -0.01 -0.01 -0.01 0.10 -0.15 0.08 -0.00 0.00 -0.00 -0.08 -0.02 0.01 0.07 0.04 0.02 -0.00 0.00 0.00 0.01 0.03 -0.01 0.04 -0.01 -0.02 -0.01 -0.01 -0.01 0.34 0.28 0.27 -0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.01 -0.03 -0.02 -0.10 0.14 0.02 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.06 0.08 0.01 0.09 0.17 0.16 -0.01 0.00 0.01 -0.02 0.09 -0.10 0.05 -0.11 0.10 -0.00 -0.00 0.00 -0.03 0.00 0.02 -0.01 0.01 -0.09 -0.01 -0.02 0.01 0.23 0.32 -0.30 0.02 -0.02 -0.04 0.01 0.01 -0.01 0.10 -0.05 -0.12 -0.01 -0.00 -0.02 0.01 0.01 0.01 0.03 -0.08 0.05 -0.02 0.00 0.00 -0.06 -0.01 0.02 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.73 0.02 -0.24 -0.04 0.12 0.12 0.00 -0.01 -0.00 -0.03 0.06 -0.01 0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 0.06 0.04 -0.02 -0.06 -0.03 0.02 -0.00 0.00 0.00 0.02 0.06 -0.02 0.02 -0.05 -0.04 0.00 0.00 0.00 -0.07 -0.06 -0.05 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.02 0.00 0.01 0.04 -0.06 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.02 -0.03 0.00 -0.06 -0.10 -0.10 -0.02 -0.00 0.01 -0.03 0.14 -0.21 0.08 -0.14 0.15 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.07 0.01 0.01 -0.01 -0.13 -0.21 0.20 -0.04 -0.09 0.13 -0.01 -0.02 -0.02 0.07 0.14 0.16 -0.01 0.00 0.01 -0.04 0.19 -0.00 0.07 -0.16 0.08 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.04 -0.04 0.04 0.00 -0.01 -0.11 0.41 0.42 -0.01 0.00 0.00 0.05 -0.19 0.04 0.01 0.01 0.00 -0.05 0.06 -0.03 -0.00 -0.02 -0.01 0.22 0.12 -0.07 -0.13 -0.05 0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 -0.18 -0.14 -0.13 0.02 0.04 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.04 0.02 -0.03 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.06 0.08 0.00 0.04 0.15 0.13 -0.00 0.00 -0.00 0.00 -0.04 0.02 0.01 -0.02 0.02 0.00 -0.00 0.00 -0.03 0.01 0.00 -0.00 0.00 -0.05 -0.01 -0.01 0.01 0.14 0.25 -0.24 -0.00 -0.05 0.04 0.02 0.04 0.03 0.22 -0.10 -0.30 0.01 -0.01 -0.00 0.11 -0.20 0.15 -0.10 0.24 -0.11 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.13 -0.01 0.04 -0.10 0.36 0.36 0.00 0.00 -0.01 -0.09 -0.04 0.01 -0.01 -0.01 -0.01 0.09 -0.11 0.05 -0.00 -0.02 -0.01 0.19 0.15 -0.09 -0.12 -0.02 0.12 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.06 -0.04 -0.00 -0.01 -0.01 -0.01 0.34 0.26 0.24 -0.02 -0.05 0.02 -0.00 0.01 0.00 -0.02 0.01 -0.01 0.13 -0.20 0.00 0.00 -0.00 0.00 -0.03 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.04 -0.04 -0.02 0.02 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.07 0.00 0.00 -0.00 -0.06 -0.08 0.07 0.02 0.09 -0.08 0.01 0.01 -0.02 -0.20 0.04 0.20 0.00 -0.00 -0.00 0.03 -0.03 0.04 -0.01 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.04 0.00 0.01 -0.04 0.14 0.13 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.06 0.04 -0.03 -0.04 -0.01 0.03 -0.01 -0.00 -0.00 0.02 -0.02 0.01 0.17 0.14 0.02 -0.00 -0.00 -0.00 0.04 0.03 0.03 -0.00 -0.01 0.01 0.01 -0.03 -0.01 0.08 -0.00 0.05 -0.45 0.66 -0.01 -0.00 0.00 -0.00 0.10 -0.06 0.08 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.20 0.24 0.10 -0.23 -0.12 -0.12 0.00 -0.00 -0.00 -0.00 0.03 0.05 -0.03 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 0.01 -0.00 -0.05 -0.09 0.09 -0.00 0.02 -0.01 -0.05 -0.07 0.05 -0.05 0.02 0.06 -0.01 -0.01 0.00 0.02 0.02 0.05 -0.00 0.01 0.03 -0.01 -0.06 -0.02 -0.08 0.52 -0.21 -0.01 0.00 -0.00 0.08 0.04 -0.01 0.17 0.42 0.54 0.07 -0.06 0.07 -0.01 -0.00 -0.00 0.06 0.02 -0.01 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.04 0.02 0.00 0.02 0.05 0.00 -0.00 0.00 -0.03 0.03 -0.04 -0.03 0.04 0.04 0.01 0.00 -0.01 -0.14 0.04 0.13 0.02 -0.12 0.10 -0.00 -0.00 -0.00 0.02 0.02 0.02 -0.01 -0.01 0.04 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.05 0.06 0.07 0.05 -0.01 0.00 -0.00 -0.00 -0.04 0.01 0.01 0.00 0.05 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.12 -0.06 0.00 0.00 -0.00 0.13 0.08 0.05 -0.00 -0.00 0.00 -0.05 -0.04 -0.11 -0.00 -0.00 -0.06 -0.00 -0.02 -0.01 -0.03 0.18 -0.07 0.02 -0.00 0.01 -0.21 -0.09 0.03 0.06 0.15 0.19 -0.17 0.15 -0.19 0.01 0.00 0.00 -0.14 -0.03 0.03 -0.00 -0.00 0.01 0.04 0.02 -0.03 0.01 -0.00 0.01 -0.06 0.10 -0.07 -0.01 -0.05 -0.13 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 -0.02 0.04 0.44 -0.12 -0.42 -0.05 0.37 -0.33 -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 0.00 0.01 0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 0.11 -0.03 -0.02 -0.00 -0.14 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.01 -0.00 -0.00 0.00 0.03 0.02 0.08 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 -0.02 0.01 -0.05 0.01 -0.02 0.49 0.22 -0.07 -0.01 -0.01 -0.02 0.40 -0.34 0.45 -0.01 -0.00 -0.00 0.07 0.01 -0.02 -0.00 -0.00 0.00 0.03 0.02 -0.02 -0.01 -0.00 -0.00 0.01 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 0.02 0.21 -0.06 -0.20 -0.02 0.18 -0.16 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.15 -0.04 -0.03 -0.00 -0.19 -0.05 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.01 0.04 0.05 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.08 0.03 -0.01 -0.00 -0.01 -0.01 0.06 -0.06 0.07 0.00 0.00 0.00 -0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.05 -0.01 0.01 -0.00 0.00 -0.01 0.04 -0.08 0.05 0.02 0.02 0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.17 -0.05 -0.17 -0.02 0.15 -0.13 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.05 -0.02 -0.54 0.13 0.10 0.02 0.70 0.17 -0.00 -0.00 -0.01 0.03 -0.04 0.03 0.00 0.00 -0.00 0.04 0.06 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.05 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.05 -0.06 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.07 0.09 -0.08 -0.07 0.08 0.08 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.06 0.36 0.24 0.35 -0.22 -0.20 0.65 0.01 0.00 -0.01 -0.10 0.05 0.15 -0.09 -0.12 0.02 0.01 0.00 -0.01 -0.05 -0.06 0.10 -0.08 0.08 0.05 -0.01 -0.01 -0.01 -0.01 0.08 0.11 0.13 0.03 0.02 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.04 0.01 -0.03 -0.02 0.05 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.10 -0.06 -0.09 0.06 0.06 -0.18 0.04 0.02 -0.04 -0.40 0.18 0.61 -0.35 -0.48 0.09 -0.00 -0.00 0.00 0.01 0.02 -0.02 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.04 -0.05 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 -0.03 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.12 0.10 0.28 -0.02 0.08 0.12 0.00 0.01 0.00 0.02 -0.09 0.03 0.00 -0.00 0.00 -0.05 -0.02 0.01 -0.05 -0.08 -0.09 -0.04 0.03 -0.06 -0.03 -0.01 -0.01 0.31 0.08 -0.07 0.01 -0.00 -0.01 -0.14 -0.03 0.04 0.00 -0.00 0.01 -0.04 0.07 -0.05 -0.00 -0.03 -0.09 -0.01 0.01 0.00 0.05 -0.08 0.07 0.06 -0.07 -0.07 -0.00 -0.00 0.00 0.05 -0.01 -0.04 -0.00 0.05 -0.04 -0.00 -0.00 0.01 -0.05 -0.03 -0.04 0.04 0.01 -0.10 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 0.02 -0.02 0.02 -0.02 -0.01 -0.03 -0.02 -0.03 -0.04 0.26 0.39 0.48 0.12 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.01 -0.01 -0.02 0.25 -0.11 -0.01 -0.03 -0.04 0.23 0.13 0.08 0.02 0.03 -0.00 0.01 -0.02 0.01 0.05 -0.23 -0.36 -0.00 -0.00 -0.00 -0.01 0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.04 0.04 0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.01 0.03 0.41 0.08 -0.12 -0.00 0.00 -0.01 0.02 -0.05 0.03 0.00 0.02 0.06 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.02 0.00 0.02 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.03 -0.02 -0.03 0.03 0.01 -0.07 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.04 0.05 -0.07 0.08 -0.05 -0.02 -0.02 -0.02 -0.02 -0.03 0.21 0.28 0.35 0.09 0.08 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.03 0.02 -0.01 -0.00 -0.01 0.10 -0.04 0.04 0.03 -0.34 0.15 0.03 0.07 0.09 -0.33 -0.19 -0.10 -0.00 -0.00 -0.00 -0.16 -0.11 -0.36 -0.02 0.11 0.17 0.00 0.00 0.00 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.02 -0.02 0.02 -0.00 0.03 0.03 0.01 0.02 -0.41 -0.10 0.09 0.01 -0.00 -0.01 -0.19 -0.03 0.05 -0.01 0.01 -0.04 0.17 -0.34 0.23 0.00 0.14 0.41 -0.00 0.01 0.00 0.04 -0.06 0.05 0.04 -0.06 -0.06 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.13 0.20 0.23 0.06 0.05 -0.00 0.01 0.00 0.08 -0.02 -0.01 -0.00 -0.10 -0.03 0.00 0.00 0.00 -0.06 0.03 -0.02 -0.01 0.04 -0.02 -0.02 -0.04 -0.05 0.05 0.02 0.01 -0.01 -0.01 0.00 0.11 0.09 0.26 0.03 -0.14 -0.22 0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 0.01 -0.09 -0.04 0.02 -0.02 -0.02 -0.02 -0.07 0.05 -0.11 -0.03 -0.01 -0.01 0.30 0.07 -0.06 -0.02 0.01 0.02 0.24 0.05 -0.08 -0.01 0.01 -0.04 0.18 -0.38 0.25 -0.00 0.15 0.45 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.07 -0.03 -0.09 -0.00 0.07 -0.05 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 -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 -0.02 -0.03 0.04 -0.05 0.02 0.01 0.01 0.01 0.01 0.01 -0.10 -0.13 -0.16 -0.04 -0.03 -0.00 0.00 -0.00 0.05 -0.01 -0.01 -0.00 -0.06 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.01 -0.01 0.17 -0.08 0.01 0.02 0.03 0.16 0.09 0.06 -0.00 -0.00 -0.00 0.02 0.01 0.04 -0.01 0.06 0.09 0.00 0.00 0.00 -0.00 -0.03 0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.04 -0.06 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.04 0.01 -0.01 0.01 -0.00 -0.01 -0.10 -0.02 0.03 -0.00 0.00 -0.01 0.02 -0.05 0.03 -0.00 0.02 0.06 0.03 -0.04 -0.00 -0.24 0.38 -0.31 -0.25 0.33 0.36 -0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.03 -0.01 -0.02 0.01 0.01 -0.03 -0.00 -0.00 0.00 0.04 -0.02 -0.05 0.03 0.04 -0.01 -0.03 -0.00 0.02 0.15 0.21 -0.31 0.36 -0.19 -0.08 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.04 0.00 0.01 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 0.04 -0.02 0.02 -0.00 0.00 -0.00 0.01 0.03 0.01 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.05 -0.02 -0.12 0.01 -0.07 -0.09 0.00 0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 -0.03 -0.01 -0.01 0.01 -0.00 0.03 0.01 0.00 0.01 -0.13 -0.02 0.03 -0.01 0.00 0.01 0.10 0.02 -0.03 0.00 -0.00 0.01 -0.03 0.06 -0.04 -0.00 -0.03 -0.07 -0.01 0.02 0.00 0.11 -0.18 0.14 0.12 -0.15 -0.17 0.00 0.00 -0.00 -0.04 0.01 0.04 0.00 -0.03 0.02 -0.00 0.00 -0.01 0.07 0.04 0.07 -0.05 -0.04 0.13 0.00 -0.00 -0.00 -0.05 0.02 0.04 -0.01 -0.04 0.01 -0.03 -0.00 0.02 0.14 0.19 -0.29 0.33 -0.17 -0.08 0.00 0.00 0.00 0.01 -0.04 -0.04 -0.06 -0.01 -0.02 -0.00 0.00 0.00 0.02 -0.00 -0.01 -0.01 -0.03 -0.01 -0.03 -0.00 -0.02 0.36 -0.15 0.15 -0.01 0.21 -0.12 0.09 0.24 0.29 0.22 0.13 0.08 0.01 0.02 -0.00 0.07 0.04 0.16 -0.02 0.09 0.12 -0.00 -0.01 -0.00 -0.01 0.06 -0.03 0.00 -0.00 0.00 -0.02 -0.02 0.00 0.03 0.06 0.07 -0.03 0.02 -0.04 -0.01 -0.00 -0.01 0.18 0.04 -0.04 0.01 -0.00 -0.01 -0.14 -0.02 0.04 -0.00 0.00 -0.01 0.03 -0.06 0.04 -0.00 0.02 0.07 -0.01 0.02 0.00 0.12 -0.20 0.16 0.13 -0.17 -0.19 -0.00 -0.00 0.00 0.04 -0.01 -0.04 -0.00 0.03 -0.03 -0.00 0.00 -0.01 0.08 0.05 0.08 -0.06 -0.04 0.15 0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 -0.01 -0.00 -0.03 -0.00 0.02 0.14 0.19 -0.29 0.34 -0.16 -0.07 0.01 0.00 0.01 0.00 -0.05 -0.09 -0.10 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.02 -0.28 0.11 -0.10 0.01 -0.21 0.11 -0.06 -0.17 -0.26 -0.21 -0.13 -0.08 0.01 0.02 -0.00 0.08 0.04 0.17 -0.04 0.20 0.29 -0.00 -0.00 -0.00 -0.01 0.04 -0.02 0.00 -0.00 0.00 -0.04 -0.01 0.01 0.03 0.04 0.05 -0.02 0.01 -0.04 -0.01 -0.00 -0.01 0.19 0.04 -0.04 0.02 -0.01 -0.02 -0.33 -0.06 0.09 -0.00 0.00 -0.01 0.04 -0.08 0.06 -0.00 0.03 0.10 -0.00 0.00 0.00 0.02 -0.03 0.02 0.02 -0.02 -0.03 -0.00 -0.00 0.00 0.05 -0.01 -0.05 -0.00 0.04 -0.04 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.03 0.01 0.02 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.04 -0.06 0.09 -0.11 0.05 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.08 -0.02 -0.01 -0.01 -0.11 -0.05 -0.03 -0.00 -0.03 0.42 -0.15 0.14 0.03 -0.27 0.11 0.09 0.25 0.35 -0.25 -0.13 -0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.02 0.05 0.03 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.05 0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.03 -0.03 -0.04 -0.03 0.04 0.73 0.49 0.37 0.00 0.00 -0.00 -0.02 -0.04 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.09 -0.07 0.00 0.02 0.12 -0.15 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.05 0.08 -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 -0.03 -0.01 -0.00 -0.00 -0.03 0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.03 0.02 0.01 -0.05 0.06 0.00 -0.00 0.00 0.75 0.53 -0.30 -0.00 -0.00 -0.01 0.01 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.06 -0.09 -0.04 0.10 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.04 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 -0.05 0.00 -0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.01 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.23 -0.18 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.04 0.05 0.09 -0.04 0.06 -0.09 -0.00 0.00 -0.00 0.01 -0.04 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.08 0.05 0.04 -0.03 -0.05 -0.00 0.38 0.75 0.06 0.02 -0.05 -0.05 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.06 0.07 0.00 0.00 0.00 -0.02 -0.00 0.00 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.15 0.00 -0.02 -0.02 0.00 -0.01 -0.01 0.12 0.12 0.04 0.01 0.02 0.24 -0.16 0.03 -0.01 0.03 -0.02 -0.01 -0.00 -0.00 -0.02 -0.00 0.01 0.03 0.01 -0.00 0.01 -0.05 0.03 0.03 0.02 0.07 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.18 0.69 -0.52 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.03 0.03 -0.04 0.06 -0.00 0.01 -0.01 0.05 -0.13 0.08 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.02 0.00 -0.15 -0.29 -0.02 -0.01 0.02 0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.01 -0.08 -0.01 0.00 0.06 -0.09 -0.13 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 0.06 0.06 0.11 0.03 0.05 -0.07 0.05 -0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.08 0.01 -0.04 -0.13 -0.05 0.01 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.14 -0.11 -0.05 -0.03 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.02 0.07 0.09 -0.00 0.00 0.00 0.01 -0.05 -0.07 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.01 -0.05 0.03 -0.27 0.78 -0.46 0.06 -0.05 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.03 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 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.04 0.03 -0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.04 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.12 0.09 0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.04 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.03 0.01 -0.00 0.00 0.00 0.02 -0.02 -0.04 0.02 -0.03 0.04 0.00 -0.00 0.00 -0.01 0.03 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.06 0.04 0.03 0.01 0.01 0.00 -0.12 -0.23 -0.02 -0.00 0.01 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.04 -0.19 0.22 -0.00 -0.00 -0.00 0.03 0.00 -0.00 -0.01 0.02 0.03 -0.02 0.00 0.00 -0.01 -0.02 -0.00 0.31 0.01 -0.04 -0.01 -0.03 -0.04 -0.03 0.54 0.57 0.10 0.03 0.05 0.15 -0.10 0.01 -0.07 0.17 -0.10 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 -0.00 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 0.00 0.01 0.03 0.00 0.00 0.00 -0.01 -0.05 -0.06 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.04 -0.09 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.02 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.01 -0.01 -0.10 -0.07 -0.05 0.00 0.00 0.00 -0.03 -0.06 -0.01 0.00 0.00 0.00 -0.01 -0.02 0.03 0.01 -0.02 0.01 0.07 0.38 -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.05 0.00 0.01 -0.03 -0.07 -0.01 0.75 0.03 -0.09 -0.00 0.01 0.00 -0.00 -0.07 -0.07 -0.02 -0.01 -0.01 0.09 -0.05 0.01 0.02 -0.05 0.03 0.00 0.02 -0.01 0.06 0.01 -0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.10 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.02 0.03 -0.04 0.06 -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 0.01 0.07 0.05 0.03 0.01 0.01 0.00 -0.10 -0.19 -0.02 0.00 0.01 0.00 0.01 0.02 -0.02 -0.04 0.04 -0.01 -0.06 -0.33 0.39 0.00 0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.00 0.22 0.01 -0.03 -0.03 0.04 0.01 -0.00 -0.25 -0.27 -0.11 -0.03 -0.05 0.50 -0.30 0.07 0.11 -0.26 0.16 0.01 -0.04 0.02 -0.19 -0.03 0.12 0.20 0.07 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.03 0.02 -0.01 0.02 0.01 0.02 -0.05 -0.10 -0.40 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.04 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.02 0.02 0.00 -0.01 0.00 -0.03 0.08 -0.05 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.03 -0.06 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.09 -0.07 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 0.02 0.01 0.00 -0.22 -0.23 0.09 0.01 0.04 0.23 -0.14 0.04 -0.23 0.57 -0.36 -0.00 0.00 -0.00 0.03 0.01 -0.02 -0.06 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.02 -0.03 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.04 0.00 -0.00 -0.00 0.01 0.04 0.05 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.04 0.10 -0.03 -0.00 0.01 -0.00 0.01 -0.01 -0.04 0.04 -0.06 0.09 -0.00 0.00 -0.00 0.01 -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.05 -0.03 -0.02 0.00 0.00 0.00 -0.04 -0.07 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.02 0.09 -0.08 0.01 0.06 0.31 -0.36 -0.00 0.01 0.01 -0.02 0.00 0.00 0.06 -0.09 -0.13 0.03 -0.00 -0.00 0.02 0.05 0.01 -0.44 -0.02 0.05 -0.03 0.01 -0.01 -0.02 0.16 0.16 0.00 0.00 0.00 0.53 -0.34 0.07 0.03 -0.08 0.05 -0.00 -0.00 -0.00 0.02 0.00 -0.01 0.02 0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.12 -0.10 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.04 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.02 0.02 -0.02 0.02 0.06 -0.16 0.26 -0.38 -0.00 0.00 0.00 0.00 -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 -0.02 0.00 0.01 0.00 -0.06 -0.12 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.06 -0.07 0.01 -0.03 -0.04 0.10 -0.00 -0.02 -0.27 0.42 0.63 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.08 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.02 0.05 0.01 0.02 0.13 -0.08 0.02 0.00 -0.01 0.00 -0.01 -0.02 0.00 0.10 0.01 -0.07 0.26 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.04 0.07 0.15 0.61 -0.02 -0.00 0.00 -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.02 -0.05 0.04 -0.07 0.10 0.00 -0.00 0.00 -0.02 0.04 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.02 0.02 -0.00 -0.00 0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.00 -0.43 0.32 -0.01 0.02 0.03 -0.04 -0.01 -0.00 0.00 0.11 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.04 0.24 0.06 0.11 0.06 -0.03 0.01 -0.11 0.24 -0.16 -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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.06 -0.05 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.03 0.05 -0.05 -0.15 0.27 -0.43 0.62 -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 0.02 -0.10 -0.07 -0.04 -0.00 -0.01 0.00 0.06 0.13 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.03 -0.02 0.00 0.00 0.01 -0.01 0.01 -0.02 -0.02 0.06 -0.00 -0.01 -0.17 0.26 0.39 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.01 0.01 -0.03 0.02 -0.00 0.02 -0.06 0.04 -0.02 -0.00 -0.01 0.28 0.04 -0.15 0.37 0.13 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.04 0.03 -0.03 -0.03 0.01 -0.02 -0.01 -0.00 0.02 0.04 0.18 -0.02 -0.01 0.00 -0.02 -0.03 -0.03 -0.00 0.01 -0.01 -0.02 0.10 0.14 0.08 -0.18 0.05 -0.00 0.00 0.01 0.03 -0.04 -0.07 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.04 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.04 -0.03 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.00 0.53 -0.40 0.01 -0.02 -0.03 0.05 -0.00 0.00 0.00 0.05 0.00 -0.00 0.01 -0.02 -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 -0.03 -0.03 0.36 0.10 0.16 -0.03 0.02 -0.00 0.01 -0.05 0.03 -0.02 0.01 -0.01 -0.03 -0.00 0.02 0.29 0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.03 0.02 -0.08 -0.06 0.04 0.00 0.00 0.01 -0.02 -0.03 -0.14 -0.01 0.01 0.02 -0.06 -0.19 -0.25 0.02 -0.03 0.03 0.04 -0.21 -0.29 -0.28 0.63 -0.18 -0.00 0.00 0.00 0.02 -0.02 -0.05 -0.01 0.02 -0.03 0.00 -0.00 0.00 -0.02 0.05 -0.02 0.01 -0.01 -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 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.06 -0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.08 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.20 0.06 0.09 -0.02 0.02 -0.00 0.07 -0.18 0.11 0.03 -0.01 0.02 0.01 -0.00 -0.02 -0.27 -0.09 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 -0.01 0.05 -0.04 -0.11 -0.09 0.05 -0.00 -0.01 -0.03 0.06 0.11 0.46 0.02 0.01 0.00 -0.00 -0.04 -0.05 0.01 -0.01 0.01 0.02 -0.09 -0.12 -0.14 0.32 -0.09 0.00 -0.00 -0.01 -0.04 0.05 0.09 0.02 -0.04 0.05 -0.00 0.00 -0.00 0.01 -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 -0.00 0.35 -0.27 0.01 -0.02 -0.03 0.04 -0.01 -0.00 -0.00 0.11 0.01 -0.00 -0.01 0.02 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.34 -0.10 -0.15 -0.03 0.02 -0.00 -0.10 0.27 -0.17 0.01 -0.00 0.01 0.66 0.10 -0.34 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.02 0.05 0.04 -0.02 -0.04 -0.00 0.04 -0.05 -0.07 -0.25 0.00 0.01 0.01 -0.03 -0.11 -0.14 0.01 -0.03 -0.02 -0.03 0.21 0.33 -0.09 0.20 -0.07 0.00 -0.00 -0.01 -0.03 0.04 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.13 0.10 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.12 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.18 -0.05 -0.08 0.00 -0.00 0.00 -0.05 0.13 -0.08 0.03 0.01 0.01 -0.15 -0.02 0.07 0.55 0.20 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.02 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 0.04 -0.03 0.00 0.02 -0.07 -0.22 -0.28 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.09 -0.20 0.06 0.00 -0.00 -0.02 -0.10 0.11 0.22 0.03 -0.04 0.05 0.00 -0.01 0.00 -0.04 0.10 -0.06 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 0.02 0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.10 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.11 0.11 -0.49 -0.12 -0.23 0.00 -0.01 -0.00 0.04 -0.05 0.04 -0.01 -0.00 -0.00 -0.37 -0.06 0.19 -0.16 -0.05 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.02 0.02 -0.01 0.02 0.00 -0.02 0.02 0.03 0.10 0.01 0.02 0.02 -0.06 -0.25 -0.33 0.01 -0.03 -0.03 -0.06 0.39 0.59 -0.07 0.14 -0.06 -0.00 0.00 0.01 0.06 -0.07 -0.14 -0.01 0.02 -0.02 0.00 -0.01 0.00 -0.05 0.12 -0.07 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 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 -0.08 -0.01 0.00 -0.00 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 -0.02 -0.02 0.10 0.03 0.05 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.14 -0.02 0.07 0.24 0.07 -0.03 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 0.03 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 0.01 0.02 -0.02 -0.03 -0.03 0.09 0.38 0.51 0.01 -0.03 -0.01 -0.03 0.19 0.30 -0.13 0.30 -0.10 0.01 -0.01 -0.03 -0.17 0.19 0.38 0.03 -0.05 0.06 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.13 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.01 0.00 -0.02 0.01 -0.00 0.03 -0.06 0.04 -0.02 -0.00 -0.01 0.01 0.00 -0.00 -0.25 -0.08 0.02 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.08 0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.02 0.02 -0.04 -0.20 -0.27 -0.00 0.01 0.00 0.01 -0.05 -0.08 0.05 -0.12 0.04 0.01 -0.02 -0.05 -0.28 0.33 0.65 0.05 -0.08 0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.03 -0.06 -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 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.06 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.04 -0.04 0.32 0.09 0.15 0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.14 -0.02 0.09 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 -0.01 0.04 -0.03 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.00 0.01 0.96 0.10 -0.02 0.02 -0.07 -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.04 -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 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.03 -0.00 -0.00 -0.00 0.02 -0.03 -0.05 0.04 0.05 -0.02 -0.38 0.47 0.79 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.03 -0.04 -0.52 -0.39 0.75 -0.03 -0.02 -0.04 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -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 -0.01 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 0.01 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 -0.05 0.03 0.03 0.00 -0.05 0.05 0.75 -0.41 -0.51 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.06 0.30 0.36 0.88 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -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 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 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 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 -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 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.06 -0.01 0.30 0.93 0.18 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.05 0.33 -0.61 0.72 -0.00 0.00 -0.00 -0.06 -0.02 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 -0.01 -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 -0.01 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 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 252.14791 4512.02472 7221.02390 7692.51013 1.0 -4.2E-4 -0.00205 4.5E-4 0.9999 0.01414 0.00205 -0.01414 0.9999 asymmetric 1 0.01920 0.01199 0.01126 0.39998 0.24993 0.23461 908442.2 41.54 50.47 59.33 68.32 71.46 81.77 84.73 89.38 92.90 103.45 106.60 110.60 130.46 152.84 185.21 200.43 224.03 234.71 238.56 239.86 257.42 262.75 266.08 277.81 289.14 297.44 302.49 314.84 319.39 330.56 334.51 337.69 348.35 355.46 361.90 376.59 380.21 386.25 388.49 399.94 416.99 429.53 579.53 599.57 615.24 625.86 674.24 688.54 733.72 754.71 769.93 791.58 809.43 824.29 839.54 853.30 878.88 892.22 899.07 912.94 918.92 941.75 946.87 956.77 1002.81 1017.48 1028.34 1040.81 1049.67 1057.71 1077.16 1134.35 1182.50 1194.98 1210.42 1230.71 1242.84 1279.14 2297.18 2298.56 2308.89 2310.85 2323.30 2329.68 2362.83 2368.27 2375.78 2380.09 2383.11 2387.23 2389.77 2393.12 4628.48 4710.36 4776.09 4786.14 4792.90 4804.98 4873.47 4902.14 4953.02 4986.92 4998.79 5017.32 5045.07 5047.62 5057.67 5069.48 5088.13 5101.19 5121.56 5134.59 5140.56 5236.47 5511.71 5512.04 5513.72 5514.18 5515.16 5516.31 0.346007 0.380764 0.381708 0.280875 -1070.400488 -1070.365731 -1070.364787 -1070.465620 238.933 119.461 212.220 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 33.882 237.155 113.499 135.863 1 0.593 1.984 5.906 2 0.594 1.982 5.519 3 0.594 1.981 5.199 4 0.595 1.979 4.920 5 0.595 1.978 4.831 6 0.596 1.975 4.564 7 0.596 1.974 4.494 8 0.597 1.972 4.389 9 0.597 1.971 4.312 10 0.598 1.967 4.101 11 0.599 1.966 4.042 12 0.599 1.965 3.969 13 0.602 1.956 3.645 14 0.605 1.944 3.337 15 0.611 1.925 2.965 16 0.615 1.914 2.813 17 0.620 1.896 2.601 18 0.623 1.888 2.513 19 0.624 1.884 2.483 20 0.624 1.883 2.472 21 0.629 1.868 2.340 22 0.630 1.863 2.301 23 0.631 1.860 2.278 24 0.635 1.849 2.198 25 0.638 1.839 2.124 26 0.641 1.830 2.072 27 0.642 1.825 2.042 28 0.647 1.812 1.969 29 0.648 1.808 1.943 30 0.652 1.796 1.881 31 0.653 1.791 1.860 32 0.655 1.788 1.843 33 0.658 1.776 1.787 34 0.661 1.768 1.751 35 0.664 1.760 1.720 36 0.669 1.743 1.650 37 0.671 1.738 1.633 38 0.673 1.731 1.606 39 0.674 1.728 1.596 40 0.679 1.714 1.546 41 0.686 1.693 1.475 42 0.692 1.676 1.425 43 0.768 1.464 0.952 44 0.780 1.434 0.903 45 0.789 1.410 0.866 46 0.796 1.394 0.842 47 0.826 1.320 0.741 48 0.835 1.298 0.714 49 0.865 1.228 0.634 50 0.880 1.196 0.600 51 0.890 1.172 0.576 52 0.905 1.139 0.544 53 0.918 1.112 0.519 54 0.929 1.090 0.499 55 0.940 1.067 0.479 56 0.951 1.047 0.462 57 0.970 1.009 0.431 58 0.980 0.989 0.416 0.909028e+30 29.958577 68.982173 0.101924e+16 15.008276 34.557832 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.566715e+07 6.753365 15.550197 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.6210 -1.8172 1.5005 3.5247 -98.7783 -93.7001 -90.3383 -0.8648 -4.7564 5.4869 -4.5061 0.5721 3.9339 -0.8648 -4.7564 5.4869 55.8846 79.4527 -3.6842 51.3825 -42.5073 -0.8680 -43.6300 -73.2525 46.1067 -4.3045 -3667.0381 -1676.3357 -1302.0560 -47.8158 -308.8044 14.8114 79.5417 155.7186 -11.9985 -688.3906 -636.1038 -429.3774 116.6784 -43.2198 -25.8442 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.7464951 1.277E-9 1.723E-5 0.3460074 0.3807637 -1070.3657314 -1070.3647872 -1070.4656197 -2.351875,5.7222031,-3.3703281,-3.2818213,-1.9655202,0.2980645 C01 [X(H28O14)] 0.7980125 -0.0516513 1.1329041 -1.1996052 -0.0268644 -0.0703669 -0.0354925 -1.1553515 0.003888 -0.1289119 -0.0054739 -1.0661517 0.802262 -0.0471809 -0.1441416 -0.1165254 0.3830408 -0.019674 -0.1816387 -0.022652 0.4619319 0.8463034 0.0851117 -0.1004697 0.1413656 0.3766638 -0.0286105 -0.0956857 -0.0226851 0.4441086 -1.0855268 0.0333528 -0.0529418 0.0235225 -0.8362231 -0.0553456 -0.0696774 -0.1027938 -1.15364 0.410004 -0.0225607 -0.0081144 -0.0225868 0.2880175 -0.0130749 0.0100311 0.055932 0.3913845 -1.1298098 0.0587911 0.1716496 0.056893 -1.0681158 0.0064229 0.1337805 -0.0225851 -0.9276482 0.3374603 -0.0181421 -0.0834671 -0.0127522 0.412394 -0.0253722 -0.0206143 -0.007914 0.3372814 0.4289031 -0.0159513 0.0688117 -0.0111243 0.3237853 0.1038456 0.0560815 0.0791697 1.0855922 0.9062334 0.0224663 -0.3847244 0.0257683 0.4229194 -0.0290774 -0.4144455 -0.0317247 0.575429 -1.1349373 0.0488694 0.0205604 0.0684953 -0.9974762 -0.0353272 0.0092868 -0.0337181 -1.1852219 0.3444422 -0.0001744 -0.0100628 0.0401414 0.8145497 0.227555 0.0212228 0.2336657 0.5283302 -0.9901488 -0.0984248 -0.0429589 -0.085128 -1.0167388 0.112818 -0.0443355 0.0900065 -1.1312612 0.3653211 0.0512812 0.0094536 -0.0076552 0.8208846 0.0780709 0.0040434 0.0673277 0.4213914 -1.1146637 0.0217744 0.1120778 0.0237221 -1.0466709 0.1025055 0.126488 0.1177708 -1.0032874 0.4177018 -0.0353266 -0.0129484 -0.0242209 0.8427319 0.1035932 -0.0036692 0.0446215 0.3637231 0.4282343 -0.035892 0.1079168 -0.0430016 0.4574555 -0.2385031 0.0958477 -0.1774973 0.7716791 -0.9498259 -0.0842729 0.092297 -0.0896756 -1.1158878 0.0062095 0.0939229 -0.0125581 -1.0904123 0.4858126 -0.1617179 -0.0118324 -0.1765229 0.7462655 0.0093617 -0.0335353 0.0709145 0.3594611 0.4123004 0.0301291 0.0498465 0.0431629 0.3733788 0.1394831 0.0818246 0.0841331 0.9013607 -0.9345826 -0.0627657 -0.0559283 -0.0579366 -1.0363931 0.0861004 -0.0997737 0.1170165 -1.0939369 0.3921648 -0.0078151 0.1825348 -0.0136044 0.483328 -0.2637914 0.1744176 -0.2393632 0.9654868 0.3444394 0.0596828 0.0187857 0.0521108 0.3803841 0.0012978 0.0718319 -0.0465774 0.3657136 -1.1114294 -0.1190039 -0.0838716 -0.1567942 -1.090161 0.0916865 -0.1099969 0.0716475 -0.9541264 0.3874193 -0.0188788 0.0058752 0.0282685 0.3430374 -0.0788909 0.0440583 -0.0526067 0.3450042 0.9522657 0.4203097 0.0228824 0.4019276 0.6453526 -0.0447821 0.0057179 -0.0601402 0.359003 -0.9893962 -0.1833792 -0.1445452 -0.1618946 -0.9565392 0.1828152 -0.1414525 0.2036635 -1.0019818 0.5150495 0.2629159 -0.1294104 0.2940042 0.7699185 -0.2692467 -0.134379 -0.259337 0.5805005 0.3238269 0.0797518 0.0415064 0.022759 0.3473408 -0.0078088 0.0552698 -0.0364971 0.4046787 -1.1182209 -0.1575121 -0.03879 -0.1478085 -1.0074732 0.0246199 -0.0474833 0.0335116 -1.2168537 0.6299967 -0.1287742 0.2310126 -0.1402415 0.484394 -0.1301392 0.29392 -0.1469267 0.5771917 0.3941218 -0.0014707 -0.1687468 -0.0023499 0.4124146 0.0829035 -0.2215846 0.0968844 0.9754917 -0.9821513 0.1355751 -0.0294549 0.1523925 -0.9642454 -0.0197983 -0.0122464 -0.0042506 -1.1648115 0.7548037 0.0508281 0.0306158 0.0018706 0.3602484 -0.0282097 0.0319601 -0.0187009 0.4201225 0.4654274 -0.2567334 -0.0253667 -0.2149074 0.8376305 -0.0012838 -0.0187952 0.0015898 0.412562 -1.1071896 -0.0531012 -0.0162321 -0.0167824 -0.9252285 -0.0823259 -0.0565842 -0.0917885 -0.9671517 0.386857 0.0468311 -0.0374178 -0.0087583 0.3265986 0.0632531 -0.0050716 0.0663946 0.3799826 1.0526914 0.0923193 0.0192032 0.1191822 0.358625 0.0575986 0.0143797 0.0610151 0.3672551 -1.2955191 0.1017481 -0.0083468 0.1423618 -1.1382295 0.0645749 -0.0266067 0.0586973 -1.1481715 0.3620966 -0.0931528 -0.0308526 -0.0753715 1.0798664 -0.0534895 -0.035817 -0.0878393 0.3735032 0.7975425 0.198212 0.0737626 0.2123865 0.4961396 0.0462602 0.147957 0.0913227 0.3847348 0.803857 -0.1020002 0.2745334 -0.1704391 0.3909076 -0.1207126 0.2937225 -0.0771541 0.5957274 0.3954686 -0.0688545 0.1576662 -0.0587609 0.376461 -0.0493994 0.1365406 -0.0845007 0.9560253 159.048193|0.5647773|156.2162429|1.4018978|-1.1885251|157.1240535 0.000006645 -0.000004673 0.000028493 -0.000017369 -0.000006071 -0.000009720 0.000021858 -0.000003989 0.000002200 0.000067672 -0.000006151 -0.000017783 -0.000032308 0.000003451 -0.000004180 -0.000019280 0.000005720 -0.000006115 0.000009665 -0.000011657 0.000006509 -0.000025859 0.000008108 0.000041925 0.000017769 -0.000000299 -0.000009776 0.000000120 -0.000010312 0.000020156 0.000007682 -0.000007710 0.000007568 0.000028880 -0.000008889 0.000004373 -0.000034830 0.000009709 -0.000021975 0.000014898 0.000014032 0.000006051 -0.000010255 -0.000011965 0.000001704 -0.000009016 -0.000002849 -0.000033148 0.000015100 0.000024218 -0.000015181 -0.000038648 -0.000020490 0.000033752 -0.000011907 -0.000007791 -0.000024132 0.000029468 0.000013693 0.000012311 -0.000019645 -0.000003919 0.000002520 -0.000001711 -0.000007193 -0.000001500 -0.000028656 -0.000021137 0.000009903 -0.000002660 0.000008390 0.000001593 0.000049627 0.000012145 0.000017206 0.000014505 0.000001298 0.000005858 -0.000003410 -0.000006190 0.000004952 -0.000005575 0.000002864 -0.000002428 -0.000023682 -0.000014278 -0.000004398 -0.000003712 0.000009564 -0.000002129 0.000013722 0.000010244 0.000001594 0.000001678 -0.000020921 -0.000007867 0.000014409 -0.000001571 0.000006180 0.000002732 0.000028012 -0.000013689 0.000031856 0.000003245 0.000038197 -0.000005995 0.000002433 -0.000015642 -0.000027932 0.000002350 0.000001563 0.000005971 0.000004334 0.000003296 -0.000005041 0.000006450 -0.000015527 0.000003513 0.000023576 -0.000004567 -0.000015522 -0.000006429 -0.000014200 -0.000014759 -0.000009355 -0.000033948 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.852,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4458;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.8519,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4459;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2O CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.7730350809 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452183836 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.969563 0.000000 1.823007 3.213868 0.000000 2.784717 4.847100 4.411799 0.000000 3.463844 5.373871 4.907612 0.964841 0.000000 4.450792 3.105130 4.976250 6.221814 7.040377 0.000000 5.366681 3.696016 5.867001 7.014595 7.809935 0.964988 0.000000 2.892606 4.364113 4.611600 0.987649 1.564947 5.660620 6.378991 0.000000 4.412893 3.018967 4.567350 6.547420 7.349990 0.990120 1.565641 6.087827 0.000000 2.798805 0.978666 3.575048 4.294323 4.893360 2.790271 3.409148 3.692242 3.004366 0.000000 3.253425 1.546536 3.984790 4.868419 5.572606 1.818503 2.453976 4.254683 2.157439 0.980406 0.000000 2.776346 3.550750 0.979036 5.385020 5.851433 5.249448 6.088927 5.566879 4.673416 4.101865 4.432712 0.000000 3.055881 3.840552 1.535971 5.778900 6.359669 4.919439 5.764970 5.942752 4.264826 4.320375 4.439882 0.977842 0.000000 4.608326 3.356222 4.056609 7.176320 7.914006 2.714357 3.189236 6.891050 1.733065 3.781041 3.265475 3.800986 3.281280 0.000000 4.240366 2.666048 3.568654 6.814289 7.471841 2.997010 3.503203 6.523133 2.132841 3.287586 2.992046 3.285693 2.998365 0.977997 0.000000 4.239029 3.678277 3.574128 6.897285 7.656714 3.139745 3.783123 6.735683 2.234963 4.048999 3.606696 3.300047 2.599990 0.979142 1.544223 0.000000 4.087215 6.326542 5.726902 2.818149 3.547083 6.349265 7.118508 3.073124 6.795820 5.604773 5.710917 6.645321 6.634867 7.662405 7.659528 7.236821 0.000000 3.511406 5.824049 5.190293 1.861824 2.578887 6.311656 7.109775 2.253111 6.715779 5.147299 5.411886 6.145761 6.268412 7.496027 7.371037 7.100114 0.977153 0.000000 4.049681 5.897411 5.757108 3.049389 3.870066 5.627081 6.335212 2.992242 6.168935 5.095967 5.093743 6.658886 6.603569 7.205156 7.243293 6.869987 0.980361 1.537423 0.000000 3.738568 1.854135 2.954754 6.106554 6.568936 4.035145 4.580209 5.837247 3.480730 2.803778 3.091272 2.741278 3.052096 2.827512 1.863893 3.128150 7.614751 7.104411 7.307180 0.000000 3.251434 2.317809 2.101422 5.778620 6.235121 4.440016 5.120020 5.666460 3.848568 3.155503 3.499974 1.769454 2.192194 3.026541 2.176258 3.010912 7.268109 6.742466 7.073341 0.987493 0.000000 4.537690 2.575669 3.610878 6.787596 7.154867 4.851288 5.292451 6.523645 4.282673 3.554297 3.906554 3.263565 3.679158 3.503340 2.531004 3.870196 8.477397 7.916861 8.192587 0.964861 1.564249 0.000000 4.343468 5.228037 6.011281 3.922385 4.767680 4.383859 4.920173 3.407662 5.124710 4.313937 4.079275 6.833623 6.723041 6.478683 6.573882 6.360362 2.790599 3.085622 1.817533 6.818488 6.821574 7.707029 0.000000 5.298509 5.963383 6.951979 4.734771 5.520207 4.823634 5.208883 4.174186 5.651019 5.023754 4.710972 7.756026 7.617565 7.123109 7.272795 7.063484 3.411467 3.821095 2.448245 7.597764 7.668130 8.475086 0.965000 0.000000 4.144269 4.907211 5.642188 4.363414 5.277456 3.642107 4.217911 3.907001 4.341162 4.060840 3.649132 6.382839 6.154271 5.693168 5.892778 5.553333 3.222273 3.552916 2.314259 6.365576 6.367599 7.288658 0.992550 1.565770 0.000000 4.294053 6.872160 5.250000 4.535628 5.292425 6.576322 7.447461 5.018141 6.694379 6.417505 6.363817 5.938705 5.631005 7.098120 7.286085 6.387341 2.742078 3.175693 3.183776 7.608407 7.036886 8.498075 4.482456 5.158566 4.276184 0.000000 4.055293 6.590388 5.310003 3.812019 4.581510 6.388521 7.237023 4.247025 6.631967 6.032216 6.028484 6.105751 5.908206 7.221974 7.343694 6.610324 1.756176 2.268581 2.261807 7.539151 7.042633 8.431821 3.740216 4.414699 3.713474 0.987580 0.000000 5.132782 7.548923 6.078657 5.338021 6.110931 6.892813 7.708869 5.748157 7.048349 7.053992 6.894002 6.723264 6.325724 7.527722 7.819986 6.817885 3.171263 3.808933 3.504226 8.309814 7.777748 9.222688 4.690386 5.226745 4.440527 0.964901 1.551926 0.000000 4.199283 4.727901 5.239679 5.359508 6.314316 2.772333 3.419191 5.022247 3.247850 4.109973 3.447498 5.779818 5.323128 4.472983 4.897730 4.260146 4.321680 4.647524 3.605671 5.810844 5.789102 6.761968 2.697333 3.155336 1.707774 4.320027 4.130533 4.411286 0.000000 4.156101 4.069556 5.049438 5.584332 6.507374 1.797252 2.456336 5.143948 2.343932 3.506935 2.709769 5.509986 5.078475 3.744607 4.156910 3.709439 4.997473 5.177853 4.257554 5.138876 5.248477 6.064538 3.135062 3.587141 2.205564 5.102909 4.911942 5.286894 0.979725 0.000000 3.537351 4.537837 4.478379 4.947310 5.904887 3.103949 3.912026 4.768222 3.338488 4.026241 3.506422 5.023386 4.540216 4.233419 4.611684 3.833586 4.002217 4.260808 3.468534 5.449581 5.272943 6.413883 3.035506 3.689534 2.148491 3.596473 3.530244 3.804544 0.984152 1.550763 0.000000 3.520110 3.760572 5.170675 2.737517 3.271073 4.610689 5.147313 1.769483 5.232321 2.874808 3.261519 6.026401 6.302272 6.359355 6.038220 6.427778 3.927726 3.435118 3.387156 5.534828 5.654120 6.231770 2.789929 3.380784 3.263608 5.889250 5.127382 6.472697 4.447322 4.348839 4.517023 0.000000 3.054404 2.794677 4.528547 3.084491 3.653601 3.911749 4.474316 2.216672 4.450483 1.909761 2.383797 5.313395 5.593924 5.501399 5.124771 5.629799 4.437297 3.930221 3.898321 4.591696 4.773350 5.288849 3.187580 3.853049 3.383645 6.014500 5.370938 6.635169 4.219836 3.942517 4.244476 0.974164 0.000000 3.645215 4.123190 5.362746 2.987811 3.693461 4.307178 4.852973 2.148226 5.006544 3.176510 3.295920 6.220987 6.353154 6.261578 6.089668 6.275544 3.378254 3.112790 2.668545 5.876385 5.963728 6.661177 1.813808 2.424542 2.342975 5.334600 4.559253 5.812908 3.692199 3.724893 3.855332 0.981082 1.547584 0.000000 3.907134 4.620396 3.077339 6.536906 7.291531 4.407779 5.211327 6.632784 3.709021 4.888517 4.628990 2.829744 1.871669 2.805824 3.119946 1.832410 6.630059 6.533444 6.483383 4.113052 3.554147 4.861839 6.450639 7.241484 5.682662 5.212367 5.645395 5.664702 4.439636 4.276703 3.683577 6.773877 6.121959 6.559424 0.000000 4.756516 5.574508 3.857512 7.312949 8.064872 5.180988 5.932659 7.470693 4.460687 5.848945 5.557360 3.517611 2.544924 3.467122 3.884865 2.503823 7.210821 7.183355 7.114463 4.957350 4.374779 5.638180 7.163595 7.925125 6.366111 5.477842 6.046758 5.835564 5.032562 4.953501 4.274958 7.672325 7.052150 7.411693 0.964828 0.000000 3.414149 4.602208 3.012241 5.857871 6.661124 4.250766 5.124744 5.984533 3.742694 4.682613 4.420713 3.074222 2.239334 3.284729 3.598436 2.373931 5.706953 5.672270 5.578039 4.472106 3.913547 5.312954 5.653982 6.452825 4.905925 4.255949 4.679572 4.705065 3.741902 3.753946 2.889651 6.199363 5.650032 5.900826 0.984354 1.560686 0.000000 2.735127 4.620615 3.312397 4.551321 5.435410 4.205818 5.133153 4.699632 4.101459 4.353171 4.146395 3.848051 3.351393 4.337684 4.559377 3.640257 3.964930 4.029080 3.844810 5.134762 4.647602 6.059475 4.144043 4.970780 3.507855 2.762142 3.001860 3.273204 2.758441 3.128712 1.775870 5.035027 4.715504 4.596398 2.730538 3.275805 1.769642 0.000000 1.751501 3.924346 2.575457 3.748865 4.602476 4.130547 5.090319 3.899981 4.055716 3.664924 3.652086 3.279898 3.013392 4.295450 4.305111 3.693908 3.737149 3.569826 3.650700 4.539183 4.033053 5.448007 3.986854 4.899975 3.500723 3.080748 3.102502 3.779525 3.091237 3.304386 2.200029 4.344097 3.984738 4.058217 2.970131 3.685511 2.156962 0.986259 0.000000 0.978582 3.571974 2.619263 1.828320 2.501959 5.095063 5.980404 2.091922 5.194963 3.244468 3.791661 3.597053 3.956650 5.542988 5.166250 5.196885 3.505748 2.777947 3.586278 4.536828 4.090835 5.277557 4.135029 5.083098 4.156503 4.173550 3.763529 5.048328 4.572255 4.648333 3.970139 3.132376 2.911487 3.321379 4.807634 5.616214 4.229838 3.252612 2.301064 0.000000 3.182214 5.432253 3.917047 4.461431 5.328169 5.044187 5.951940 4.747883 5.026766 5.090064 4.941407 4.516768 4.081098 5.316271 5.535669 4.597543 3.427814 3.618231 3.481767 6.019980 5.483605 6.931467 4.159217 4.955942 3.649173 1.790410 2.162901 2.329495 3.172564 3.760551 2.247507 5.304054 5.151447 4.803470 3.514859 3.904160 2.538217 0.983270 1.561318 3.452436 0.000000 0.982109 2.102037 2.257848 3.066749 3.752088 3.717121 4.582228 2.845272 3.762855 1.820236 2.329082 3.080750 3.345867 4.167364 3.749085 3.996387 4.423319 3.881295 4.177801 3.229941 2.994286 4.061912 4.061425 4.969503 3.840303 4.932428 4.612087 5.692508 3.919045 3.687047 3.444141 2.968106 2.307861 3.158894 4.101536 5.027055 3.696058 3.110765 2.210425 1.559212 3.708189 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0481,.036,-1.5823;1.8792,-2.0278,-.6634;1.5027,.7716,-2.1965;-2.5617,-.9427,-2.2742;-2.8453,-1.3082,-3.1209;1.6018,-1.2778,2.337;1.9374,-1.8614,3.0284;-2.35,-1.7122,-1.6924;2.3738,-.743,2.0234;1.0112,-2.178,-.2372;1.1591,-1.9406,.7025;2.4257,1.088,-2.2761;2.5365,1.6639,-1.4936;3.6167,.1491,1.2092;3.6866,-.3713,.3841;3.232,1.0027,.9228;-3.8892,.5418,-.2803;-3.5221,.1108,-1.0767;-3.5472,-.0079,.4559;3.451,-1.2377,-1.2493;3.1675,-.4223,-1.7287;4.1726,-1.6205,-1.7628;-2.7233,-1.1123,1.6412;-3.2173,-1.4801,2.384;-1.9652,-.6071,2.0352;-2.7426,3.0249,-.0839;-3.1924,2.147,-.1325;-3.1223,3.4628,.6875;-.6421,.3343,2.564;.1466,-.2469,2.5596;-.498,.9456,1.8064;-1.7956,-2.7794,-.3945;-.8278,-2.6682,-.3953;-2.1054,-2.2518,.3725;2.434,2.4795,.1879;2.7042,3.3873,.3714;1.4568,2.4519,.3031;-.2386,1.9484,.3638;-.2245,1.2704,-.3523;-.9113,-.2186,-1.9667;-1.0803,2.4388,.2308;.2611,-.7558,-1.0904; 0.3999848 0.2499287 0.2346102 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.55D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 488 488 488 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74649512973 -1070.74649513 1 1.067094412027e+03 -5.118729070181e+03 1.687146438230e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT162.200S Tue Nov 5 06:17:50 2024 -19.12931 -19.12871 -19.12835 -19.12829 -19.12645 -19.12085 -19.12029 -19.11946 -19.11617 -19.11605 -19.11600 -19.11522 -19.11348 -19.11063 -1.02973 -1.02377 -1.02057 -1.01944 -1.01567 -1.01344 -1.01138 -1.00585 -1.00266 -0.99987 -0.99905 -0.99238 -0.99130 -0.98790 -0.54660 -0.54520 -0.54210 -0.53927 -0.53604 -0.53215 -0.53005 -0.52911 -0.52564 -0.52466 -0.52155 -0.52096 -0.51892 -0.51760 -0.44882 -0.43833 -0.43541 -0.42059 -0.41549 -0.41236 -0.40159 -0.39853 -0.39519 -0.39060 -0.38053 -0.38038 -0.37388 -0.36161 -0.33040 -0.32942 -0.32783 -0.32755 -0.32551 -0.32395 -0.32348 -0.32104 -0.31872 -0.31760 -0.31739 -0.31565 -0.31461 -0.31238 0.00020 0.02685 0.03848 0.04179 0.05737 0.06189 0.07413 0.08182 0.08992 0.10187 0.10378 0.10754 0.10987 0.11238 0.11704 0.12512 0.13371 0.13822 0.13969 0.14571 0.15134 0.15178 0.15422 0.16573 0.17076 0.17328 0.17710 0.17996 0.18957 0.19164 0.19375 0.19957 0.20588 0.20862 0.21044 0.21619 0.21714 0.22212 0.23002 0.23363 0.23527 0.23907 0.24294 0.24980 0.25155 0.25484 0.26149 0.26428 0.26569 0.26779 0.27026 0.27280 0.27539 0.27926 0.28199 0.28462 0.28864 0.29064 0.29269 0.29504 0.30102 0.30174 0.30504 0.31055 0.31792 0.32051 0.33494 0.34099 0.34913 0.36416 0.37646 0.39148 0.41576 0.44820 0.45285 0.45470 0.46615 0.47319 0.47879 0.49015 0.49523 0.49863 0.51984 0.52108 0.53260 0.53914 0.54654 0.55336 0.56402 0.56621 0.57013 0.57798 0.58493 0.59063 0.59331 0.59794 0.60294 0.61077 0.61748 0.62686 0.63200 0.64607 0.64920 0.66137 0.66577 0.67423 0.67994 0.68520 0.69818 0.70833 0.71690 0.72461 0.94768 0.95323 0.96061 0.96927 0.97647 0.97749 0.98215 0.98999 0.99310 1.00896 1.01904 1.02307 1.02845 1.03423 1.03833 1.04262 1.04463 1.04642 1.05706 1.06154 1.06328 1.07227 1.07381 1.07673 1.08143 1.09349 1.09790 1.10165 1.10793 1.10895 1.11470 1.12066 1.12675 1.13031 1.13417 1.14356 1.15813 1.16943 1.17210 1.17580 1.20150 1.20864 1.23827 1.25625 1.26497 1.27223 1.28326 1.28547 1.29236 1.29811 1.30554 1.31263 1.31518 1.32279 1.32578 1.33220 1.34930 1.35010 1.35858 1.37608 1.38266 1.38814 1.40052 1.40438 1.41075 1.42522 1.43324 1.44116 1.44597 1.45725 1.46523 1.47321 1.47869 1.48994 1.49681 1.51746 1.51873 1.52239 1.54670 1.55260 1.55823 1.56501 1.57386 1.58340 1.59466 1.60464 1.61858 1.62497 1.63004 1.63561 1.65226 1.65801 1.66639 1.68665 1.69247 1.70133 1.71032 1.72063 1.73882 1.76178 1.76493 1.76892 1.77404 1.78520 1.79592 1.81563 1.81878 1.83084 1.84449 1.86083 1.87779 1.89571 2.03189 2.04616 2.04787 2.05189 2.05369 2.05420 2.18903 2.20589 2.20816 2.24732 2.26315 2.27106 2.28844 2.29691 2.33389 2.33867 2.34731 2.34955 2.35546 2.37452 2.38182 2.39297 2.40824 2.42650 2.43404 2.44548 2.47161 2.50022 2.53437 2.54471 2.55143 2.57666 2.58730 2.59679 2.66607 2.67331 2.68490 2.69477 2.69873 2.70818 2.73549 2.73893 2.74217 2.75010 2.76598 2.77636 2.78615 2.79456 2.81764 2.83506 2.84494 2.85516 2.86459 2.88853 2.90336 2.92862 3.07102 3.07419 3.07848 3.08525 3.08978 3.09391 3.09890 3.10260 3.10645 3.10932 3.11294 3.11768 3.12380 3.12979 3.13244 3.13722 3.15117 3.15455 3.15872 3.16333 3.16411 3.16902 3.17661 3.18300 3.18655 3.19057 3.19814 3.21656 3.30304 3.30608 3.31562 3.31674 3.31758 3.32898 3.33202 3.34555 3.35938 3.36406 3.37138 3.37439 3.38549 3.40774 3.68653 3.68927 3.69473 3.70995 3.71440 3.73087 3.73583 3.73814 3.74339 3.75498 3.75829 3.76669 3.77490 3.79461 3.90010 3.91800 3.92166 3.92548 3.92778 3.93239 3.93672 3.94672 3.94868 3.96438 3.96800 3.98564 3.99762 4.00848 5.00795 5.01147 5.02067 5.02706 5.03257 5.03812 5.03964 5.04485 5.05175 5.05845 5.06092 5.08278 5.11691 5.14927 5.38368 5.40074 5.41033 5.43508 5.43825 5.44751 5.45796 5.46166 5.47655 5.48494 5.50460 5.50658 5.53179 5.58997 5.65147 5.66242 5.66996 5.67142 5.67778 5.68100 5.69395 5.69763 5.70985 5.74266 5.75059 5.75723 5.77943 5.81722 49.88070 49.90824 49.91021 49.91816 49.92126 49.92360 49.92679 49.93506 49.93998 49.95300 49.95982 49.96448 49.97129 49.98997 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.796143 0.399143 0.363335 -0.756576 0.354131 -0.778863 0.350962 0.382527 0.410606 -0.781081 0.389698 -0.717542 0.367623 -0.737878 0.369374 0.389270 -0.732799 0.366894 0.371926 -0.775067 0.394196 0.356853 -0.776831 0.341062 0.433310 -0.749250 0.414260 0.315821 -0.803246 0.399842 0.399663 -0.741814 0.376317 0.392923 -0.757059 0.361640 0.384577 -0.850380 0.404410 0.421495 0.463128 0.379543 -0.00000 2.6210 -1.8172 1.5005 3.5247 -98.7783 -93.7001 -90.3383 -0.8648 -4.7564 5.4869 -4.5061 0.5721 3.9339 -0.8648 -4.7564 5.4869 55.8846 79.4527 -3.6842 51.3825 -42.5072 -0.8680 -43.6300 -73.2525 46.1067 -4.3045 -3667.0384 -1676.3357 -1302.0563 -47.8159 -308.8044 14.8114 79.5418 155.7185 -11.9985 -688.3907 -636.1040 -429.3775 116.6784 -43.2198 -25.8442 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF2 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7464951 RMSD=1.788e-09 Dipole=0.7980123,-0.0516508,1.1329038 Quadrupole=-2.3518728,5.7222017,-3.3703289,-3.2818255,-1.9655198,0.2980665 PG=C01 [X(H28O14)] 0 0.2150339765 -1.1198910605 -1.098359615 0 1.625750173 -1.8519504998 1.4100806602 0 1.9399107541 -1.0346991879 -1.6822248764 0 -2.2696922204 -2.3315002863 -1.434200438 0 -2.4622330382 -3.2004003801 -1.8068372659 0 0.9752385927 0.8326596683 2.828366859 0 1.0989551861 0.9349735816 3.7799065426 0 -2.2771269396 -2.4386194949 -0.4524058519 0 1.8609545757 0.9857745559 2.413155568 0 0.6866425099 -1.6595115903 1.6071360001 0 0.7121321888 -0.8136951068 2.1022518856 0 2.9008388804 -0.8607977375 -1.752132529 0 2.9678021327 0.1043560135 -1.6101178811 0 3.342784683 1.0298720361 1.5155193754 0 3.4673801419 0.0747383545 1.3461868846 0 3.1457075774 1.4062963372 0.6333719514 0 -3.6650192124 0.1169466254 -1.4458497754 0 -3.2418752482 -0.7515574283 -1.5924029667 0 -3.5372824961 0.2751115374 -0.4868012352 0 3.3746871165 -1.7083782678 0.8113964432 0 3.3023122352 -1.4965930041 -0.1503993168 0 4.1039570741 -2.3339092284 0.8999058026 0 -3.09890962 0.3821913496 1.2738208137 0 -3.7590932515 0.6589027365 1.9209792924 0 -2.3479969182 1.0266832998 1.3507331707 0 -2.2003219871 1.988862024 -2.8131777227 0 -2.7649155718 1.341547891 -2.3258043819 0 -2.6305310776 2.8438751924 -2.6910817192 0 -1.0020397514 2.077723092 1.3363828365 0 -0.3217146073 1.6845777282 1.9215795027 0 -0.6431017859 1.9534091282 0.4284930642 0 -2.1142519639 -2.2280990895 1.2969435301 0 -1.1541151295 -2.1382184746 1.4349832526 0 -2.4619104738 -1.3134556168 1.3682362786 0 2.7153482166 1.8824229777 -1.0829669558 0 3.0872373916 2.6455492869 -1.5414757132 0 1.7399797653 1.9328838371 -1.2056989639 0 0.0009936573 1.6053262335 -1.1894360597 0 0.0291105861 0.6194721592 -1.1867060946 0 -0.6015577573 -1.5858980542 -1.3697234012 0 -0.7222171995 1.8356369665 -1.8145310137 0 0.314121034 -1.3059797741 -0.1391463107 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.8519,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4459;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2O CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1293.7730350809 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452183836 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.969563 0.000000 1.823007 3.213868 0.000000 2.784717 4.847100 4.411799 0.000000 3.463844 5.373871 4.907612 0.964841 0.000000 4.450792 3.105130 4.976250 6.221814 7.040377 0.000000 5.366681 3.696016 5.867001 7.014595 7.809935 0.964988 0.000000 2.892606 4.364113 4.611600 0.987649 1.564947 5.660620 6.378991 0.000000 4.412893 3.018967 4.567350 6.547420 7.349990 0.990120 1.565641 6.087827 0.000000 2.798805 0.978666 3.575048 4.294323 4.893360 2.790271 3.409148 3.692242 3.004366 0.000000 3.253425 1.546536 3.984790 4.868419 5.572606 1.818503 2.453976 4.254683 2.157439 0.980406 0.000000 2.776346 3.550750 0.979036 5.385020 5.851433 5.249448 6.088927 5.566879 4.673416 4.101865 4.432712 0.000000 3.055881 3.840552 1.535971 5.778900 6.359669 4.919439 5.764970 5.942752 4.264826 4.320375 4.439882 0.977842 0.000000 4.608326 3.356222 4.056609 7.176320 7.914006 2.714357 3.189236 6.891050 1.733065 3.781041 3.265475 3.800986 3.281280 0.000000 4.240366 2.666048 3.568654 6.814289 7.471841 2.997010 3.503203 6.523133 2.132841 3.287586 2.992046 3.285693 2.998365 0.977997 0.000000 4.239029 3.678277 3.574128 6.897285 7.656714 3.139745 3.783123 6.735683 2.234963 4.048999 3.606696 3.300047 2.599990 0.979142 1.544223 0.000000 4.087215 6.326542 5.726902 2.818149 3.547083 6.349265 7.118508 3.073124 6.795820 5.604773 5.710917 6.645321 6.634867 7.662405 7.659528 7.236821 0.000000 3.511406 5.824049 5.190293 1.861824 2.578887 6.311656 7.109775 2.253111 6.715779 5.147299 5.411886 6.145761 6.268412 7.496027 7.371037 7.100114 0.977153 0.000000 4.049681 5.897411 5.757108 3.049389 3.870066 5.627081 6.335212 2.992242 6.168935 5.095967 5.093743 6.658886 6.603569 7.205156 7.243293 6.869987 0.980361 1.537423 0.000000 3.738568 1.854135 2.954754 6.106554 6.568936 4.035145 4.580209 5.837247 3.480730 2.803778 3.091272 2.741278 3.052096 2.827512 1.863893 3.128150 7.614751 7.104411 7.307180 0.000000 3.251434 2.317809 2.101422 5.778620 6.235121 4.440016 5.120020 5.666460 3.848568 3.155503 3.499974 1.769454 2.192194 3.026541 2.176258 3.010912 7.268109 6.742466 7.073341 0.987493 0.000000 4.537690 2.575669 3.610878 6.787596 7.154867 4.851288 5.292451 6.523645 4.282673 3.554297 3.906554 3.263565 3.679158 3.503340 2.531004 3.870196 8.477397 7.916861 8.192587 0.964861 1.564249 0.000000 4.343468 5.228037 6.011281 3.922385 4.767680 4.383859 4.920173 3.407662 5.124710 4.313937 4.079275 6.833623 6.723041 6.478683 6.573882 6.360362 2.790599 3.085622 1.817533 6.818488 6.821574 7.707029 0.000000 5.298509 5.963383 6.951979 4.734771 5.520207 4.823634 5.208883 4.174186 5.651019 5.023754 4.710972 7.756026 7.617565 7.123109 7.272795 7.063484 3.411467 3.821095 2.448245 7.597764 7.668130 8.475086 0.965000 0.000000 4.144269 4.907211 5.642188 4.363414 5.277456 3.642107 4.217911 3.907001 4.341162 4.060840 3.649132 6.382839 6.154271 5.693168 5.892778 5.553333 3.222273 3.552916 2.314259 6.365576 6.367599 7.288658 0.992550 1.565770 0.000000 4.294053 6.872160 5.250000 4.535628 5.292425 6.576322 7.447461 5.018141 6.694379 6.417505 6.363817 5.938705 5.631005 7.098120 7.286085 6.387341 2.742078 3.175693 3.183776 7.608407 7.036886 8.498075 4.482456 5.158566 4.276184 0.000000 4.055293 6.590388 5.310003 3.812019 4.581510 6.388521 7.237023 4.247025 6.631967 6.032216 6.028484 6.105751 5.908206 7.221974 7.343694 6.610324 1.756176 2.268581 2.261807 7.539151 7.042633 8.431821 3.740216 4.414699 3.713474 0.987580 0.000000 5.132782 7.548923 6.078657 5.338021 6.110931 6.892813 7.708869 5.748157 7.048349 7.053992 6.894002 6.723264 6.325724 7.527722 7.819986 6.817885 3.171263 3.808933 3.504226 8.309814 7.777748 9.222688 4.690386 5.226745 4.440527 0.964901 1.551926 0.000000 4.199283 4.727901 5.239679 5.359508 6.314316 2.772333 3.419191 5.022247 3.247850 4.109973 3.447498 5.779818 5.323128 4.472983 4.897730 4.260146 4.321680 4.647524 3.605671 5.810844 5.789102 6.761968 2.697333 3.155336 1.707774 4.320027 4.130533 4.411286 0.000000 4.156101 4.069556 5.049438 5.584332 6.507374 1.797252 2.456336 5.143948 2.343932 3.506935 2.709769 5.509986 5.078475 3.744607 4.156910 3.709439 4.997473 5.177853 4.257554 5.138876 5.248477 6.064538 3.135062 3.587141 2.205564 5.102909 4.911942 5.286894 0.979725 0.000000 3.537351 4.537837 4.478379 4.947310 5.904887 3.103949 3.912026 4.768222 3.338488 4.026241 3.506422 5.023386 4.540216 4.233419 4.611684 3.833586 4.002217 4.260808 3.468534 5.449581 5.272943 6.413883 3.035506 3.689534 2.148491 3.596473 3.530244 3.804544 0.984152 1.550763 0.000000 3.520110 3.760572 5.170675 2.737517 3.271073 4.610689 5.147313 1.769483 5.232321 2.874808 3.261519 6.026401 6.302272 6.359355 6.038220 6.427778 3.927726 3.435118 3.387156 5.534828 5.654120 6.231770 2.789929 3.380784 3.263608 5.889250 5.127382 6.472697 4.447322 4.348839 4.517023 0.000000 3.054404 2.794677 4.528547 3.084491 3.653601 3.911749 4.474316 2.216672 4.450483 1.909761 2.383797 5.313395 5.593924 5.501399 5.124771 5.629799 4.437297 3.930221 3.898321 4.591696 4.773350 5.288849 3.187580 3.853049 3.383645 6.014500 5.370938 6.635169 4.219836 3.942517 4.244476 0.974164 0.000000 3.645215 4.123190 5.362746 2.987811 3.693461 4.307178 4.852973 2.148226 5.006544 3.176510 3.295920 6.220987 6.353154 6.261578 6.089668 6.275544 3.378254 3.112790 2.668545 5.876385 5.963728 6.661177 1.813808 2.424542 2.342975 5.334600 4.559253 5.812908 3.692199 3.724893 3.855332 0.981082 1.547584 0.000000 3.907134 4.620396 3.077339 6.536906 7.291531 4.407779 5.211327 6.632784 3.709021 4.888517 4.628990 2.829744 1.871669 2.805824 3.119946 1.832410 6.630059 6.533444 6.483383 4.113052 3.554147 4.861839 6.450639 7.241484 5.682662 5.212367 5.645395 5.664702 4.439636 4.276703 3.683577 6.773877 6.121959 6.559424 0.000000 4.756516 5.574508 3.857512 7.312949 8.064872 5.180988 5.932659 7.470693 4.460687 5.848945 5.557360 3.517611 2.544924 3.467122 3.884865 2.503823 7.210821 7.183355 7.114463 4.957350 4.374779 5.638180 7.163595 7.925125 6.366111 5.477842 6.046758 5.835564 5.032562 4.953501 4.274958 7.672325 7.052150 7.411693 0.964828 0.000000 3.414149 4.602208 3.012241 5.857871 6.661124 4.250766 5.124744 5.984533 3.742694 4.682613 4.420713 3.074222 2.239334 3.284729 3.598436 2.373931 5.706953 5.672270 5.578039 4.472106 3.913547 5.312954 5.653982 6.452825 4.905925 4.255949 4.679572 4.705065 3.741902 3.753946 2.889651 6.199363 5.650032 5.900826 0.984354 1.560686 0.000000 2.735127 4.620615 3.312397 4.551321 5.435410 4.205818 5.133153 4.699632 4.101459 4.353171 4.146395 3.848051 3.351393 4.337684 4.559377 3.640257 3.964930 4.029080 3.844810 5.134762 4.647602 6.059475 4.144043 4.970780 3.507855 2.762142 3.001860 3.273204 2.758441 3.128712 1.775870 5.035027 4.715504 4.596398 2.730538 3.275805 1.769642 0.000000 1.751501 3.924346 2.575457 3.748865 4.602476 4.130547 5.090319 3.899981 4.055716 3.664924 3.652086 3.279898 3.013392 4.295450 4.305111 3.693908 3.737149 3.569826 3.650700 4.539183 4.033053 5.448007 3.986854 4.899975 3.500723 3.080748 3.102502 3.779525 3.091237 3.304386 2.200029 4.344097 3.984738 4.058217 2.970131 3.685511 2.156962 0.986259 0.000000 0.978582 3.571974 2.619263 1.828320 2.501959 5.095063 5.980404 2.091922 5.194963 3.244468 3.791661 3.597053 3.956650 5.542988 5.166250 5.196885 3.505748 2.777947 3.586278 4.536828 4.090835 5.277557 4.135029 5.083098 4.156503 4.173550 3.763529 5.048328 4.572255 4.648333 3.970139 3.132376 2.911487 3.321379 4.807634 5.616214 4.229838 3.252612 2.301064 0.000000 3.182214 5.432253 3.917047 4.461431 5.328169 5.044187 5.951940 4.747883 5.026766 5.090064 4.941407 4.516768 4.081098 5.316271 5.535669 4.597543 3.427814 3.618231 3.481767 6.019980 5.483605 6.931467 4.159217 4.955942 3.649173 1.790410 2.162901 2.329495 3.172564 3.760551 2.247507 5.304054 5.151447 4.803470 3.514859 3.904160 2.538217 0.983270 1.561318 3.452436 0.000000 0.982109 2.102037 2.257848 3.066749 3.752088 3.717121 4.582228 2.845272 3.762855 1.820236 2.329082 3.080750 3.345867 4.167364 3.749085 3.996387 4.423319 3.881295 4.177801 3.229941 2.994286 4.061912 4.061425 4.969503 3.840303 4.932428 4.612087 5.692508 3.919045 3.687047 3.444141 2.968106 2.307861 3.158894 4.101536 5.027055 3.696058 3.110765 2.210425 1.559212 3.708189 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0481,.036,-1.5823;1.8792,-2.0278,-.6634;1.5027,.7716,-2.1965;-2.5617,-.9427,-2.2742;-2.8453,-1.3082,-3.1209;1.6018,-1.2778,2.337;1.9374,-1.8614,3.0284;-2.35,-1.7122,-1.6924;2.3738,-.743,2.0234;1.0112,-2.178,-.2372;1.1591,-1.9406,.7025;2.4257,1.088,-2.2761;2.5365,1.6639,-1.4936;3.6167,.1491,1.2092;3.6866,-.3713,.3841;3.232,1.0027,.9228;-3.8892,.5418,-.2803;-3.5221,.1108,-1.0767;-3.5472,-.0079,.4559;3.451,-1.2377,-1.2493;3.1675,-.4223,-1.7287;4.1726,-1.6205,-1.7628;-2.7233,-1.1123,1.6412;-3.2173,-1.4801,2.384;-1.9652,-.6071,2.0352;-2.7426,3.0249,-.0839;-3.1924,2.147,-.1325;-3.1223,3.4628,.6875;-.6421,.3343,2.564;.1466,-.2469,2.5596;-.498,.9456,1.8064;-1.7956,-2.7794,-.3945;-.8278,-2.6682,-.3953;-2.1054,-2.2518,.3725;2.434,2.4795,.1879;2.7042,3.3873,.3714;1.4568,2.4519,.3031;-.2386,1.9484,.3638;-.2245,1.2704,-.3523;-.9113,-.2186,-1.9667;-1.0803,2.4388,.2308;.2611,-.7558,-1.0904; 0.3999848 0.2499287 0.2346102 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.55D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 488 488 488 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.74649512973 -1070.74649513 1 1.067094412027e+03 -5.118729070181e+03 1.687146438230e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT9499.300S Tue Nov 5 06:40:27 2024 -19.12931 -19.12871 -19.12835 -19.12829 -19.12645 -19.12085 -19.12029 -19.11946 -19.11617 -19.11605 -19.11600 -19.11522 -19.11348 -19.11063 -1.02973 -1.02377 -1.02057 -1.01944 -1.01567 -1.01344 -1.01138 -1.00585 -1.00266 -0.99987 -0.99905 -0.99238 -0.99130 -0.98790 -0.54660 -0.54520 -0.54210 -0.53927 -0.53604 -0.53215 -0.53005 -0.52911 -0.52564 -0.52466 -0.52155 -0.52096 -0.51892 -0.51760 -0.44882 -0.43833 -0.43541 -0.42059 -0.41549 -0.41236 -0.40159 -0.39853 -0.39519 -0.39060 -0.38053 -0.38038 -0.37388 -0.36161 -0.33040 -0.32942 -0.32783 -0.32755 -0.32551 -0.32395 -0.32348 -0.32104 -0.31872 -0.31760 -0.31739 -0.31565 -0.31461 -0.31238 0.00020 0.02685 0.03848 0.04179 0.05737 0.06189 0.07413 0.08182 0.08992 0.10187 0.10378 0.10754 0.10987 0.11238 0.11704 0.12512 0.13371 0.13822 0.13969 0.14571 0.15134 0.15178 0.15422 0.16573 0.17076 0.17328 0.17710 0.17996 0.18957 0.19164 0.19375 0.19957 0.20588 0.20862 0.21044 0.21619 0.21714 0.22212 0.23002 0.23363 0.23527 0.23907 0.24294 0.24980 0.25155 0.25484 0.26149 0.26428 0.26569 0.26779 0.27026 0.27280 0.27539 0.27926 0.28199 0.28462 0.28864 0.29064 0.29269 0.29504 0.30102 0.30174 0.30504 0.31055 0.31792 0.32051 0.33494 0.34099 0.34913 0.36416 0.37646 0.39148 0.41576 0.44820 0.45285 0.45470 0.46615 0.47319 0.47879 0.49015 0.49523 0.49863 0.51984 0.52108 0.53260 0.53914 0.54654 0.55336 0.56402 0.56621 0.57013 0.57798 0.58493 0.59063 0.59331 0.59794 0.60294 0.61077 0.61748 0.62686 0.63200 0.64607 0.64920 0.66137 0.66577 0.67423 0.67994 0.68520 0.69818 0.70833 0.71690 0.72461 0.94768 0.95323 0.96061 0.96927 0.97647 0.97749 0.98215 0.98999 0.99310 1.00896 1.01904 1.02307 1.02845 1.03423 1.03833 1.04262 1.04463 1.04642 1.05706 1.06154 1.06328 1.07227 1.07381 1.07673 1.08143 1.09349 1.09790 1.10165 1.10793 1.10895 1.11470 1.12066 1.12675 1.13031 1.13417 1.14356 1.15813 1.16943 1.17210 1.17580 1.20150 1.20864 1.23827 1.25625 1.26497 1.27223 1.28326 1.28547 1.29236 1.29811 1.30554 1.31263 1.31518 1.32279 1.32578 1.33220 1.34930 1.35010 1.35858 1.37608 1.38266 1.38814 1.40052 1.40438 1.41075 1.42522 1.43324 1.44116 1.44597 1.45725 1.46523 1.47321 1.47869 1.48994 1.49681 1.51746 1.51873 1.52239 1.54670 1.55260 1.55823 1.56501 1.57386 1.58340 1.59466 1.60464 1.61858 1.62497 1.63004 1.63561 1.65226 1.65801 1.66639 1.68665 1.69247 1.70133 1.71032 1.72063 1.73882 1.76178 1.76493 1.76892 1.77404 1.78520 1.79592 1.81563 1.81878 1.83084 1.84449 1.86083 1.87779 1.89571 2.03189 2.04616 2.04787 2.05189 2.05369 2.05420 2.18903 2.20589 2.20816 2.24732 2.26315 2.27106 2.28844 2.29691 2.33389 2.33867 2.34731 2.34955 2.35546 2.37452 2.38182 2.39297 2.40824 2.42650 2.43404 2.44548 2.47161 2.50022 2.53437 2.54471 2.55143 2.57666 2.58730 2.59679 2.66607 2.67331 2.68490 2.69477 2.69873 2.70818 2.73549 2.73893 2.74217 2.75010 2.76598 2.77636 2.78615 2.79456 2.81764 2.83506 2.84494 2.85516 2.86459 2.88853 2.90336 2.92862 3.07102 3.07419 3.07848 3.08525 3.08978 3.09391 3.09890 3.10260 3.10645 3.10932 3.11294 3.11768 3.12380 3.12979 3.13244 3.13722 3.15117 3.15455 3.15872 3.16333 3.16411 3.16902 3.17661 3.18300 3.18655 3.19057 3.19814 3.21656 3.30304 3.30608 3.31562 3.31674 3.31758 3.32898 3.33202 3.34555 3.35938 3.36406 3.37138 3.37439 3.38549 3.40774 3.68653 3.68927 3.69473 3.70995 3.71440 3.73087 3.73583 3.73814 3.74339 3.75498 3.75829 3.76669 3.77490 3.79461 3.90010 3.91800 3.92166 3.92548 3.92778 3.93239 3.93672 3.94672 3.94868 3.96438 3.96800 3.98564 3.99762 4.00848 5.00795 5.01147 5.02067 5.02706 5.03257 5.03812 5.03964 5.04485 5.05175 5.05845 5.06092 5.08278 5.11691 5.14927 5.38368 5.40074 5.41033 5.43508 5.43825 5.44751 5.45796 5.46166 5.47655 5.48494 5.50460 5.50658 5.53179 5.58997 5.65147 5.66242 5.66996 5.67142 5.67778 5.68100 5.69395 5.69763 5.70985 5.74266 5.75059 5.75723 5.77943 5.81722 49.88070 49.90824 49.91021 49.91816 49.92126 49.92360 49.92679 49.93506 49.93998 49.95300 49.95982 49.96448 49.97129 49.98997 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.796143 0.399143 0.363335 -0.756576 0.354131 -0.778863 0.350962 0.382527 0.410606 -0.781081 0.389698 -0.717542 0.367623 -0.737878 0.369374 0.389270 -0.732799 0.366894 0.371926 -0.775067 0.394196 0.356853 -0.776831 0.341062 0.433310 -0.749250 0.414260 0.315821 -0.803246 0.399842 0.399663 -0.741814 0.376317 0.392923 -0.757059 0.361640 0.384577 -0.850380 0.404410 0.421495 0.463128 0.379543 -0.00000 2.6210 -1.8172 1.5005 3.5247 -98.7783 -93.7001 -90.3383 -0.8648 -4.7564 5.4869 -4.5061 0.5721 3.9339 -0.8648 -4.7564 5.4869 55.8846 79.4527 -3.6842 51.3825 -42.5072 -0.8680 -43.6300 -73.2525 46.1067 -4.3045 -3667.0384 -1676.3357 -1302.0563 -47.8159 -308.8044 14.8114 79.5418 155.7185 -11.9985 -688.3907 -636.1040 -429.3775 116.6784 -43.2198 -25.8442 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF2 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7464951 RMSD=1.788e-09 Dipole=0.7980123,-0.0516508,1.1329038 Quadrupole=-2.3518728,5.7222017,-3.3703289,-3.2818255,-1.9655198,0.2980665 PG=C01 [X(H28O14)] 0 0.2150339765 -1.1198910605 -1.098359615 0 1.625750173 -1.8519504998 1.4100806602 0 1.9399107541 -1.0346991879 -1.6822248764 0 -2.2696922204 -2.3315002863 -1.434200438 0 -2.4622330382 -3.2004003801 -1.8068372659 0 0.9752385927 0.8326596683 2.828366859 0 1.0989551861 0.9349735816 3.7799065426 0 -2.2771269396 -2.4386194949 -0.4524058519 0 1.8609545757 0.9857745559 2.413155568 0 0.6866425099 -1.6595115903 1.6071360001 0 0.7121321888 -0.8136951068 2.1022518856 0 2.9008388804 -0.8607977375 -1.752132529 0 2.9678021327 0.1043560135 -1.6101178811 0 3.342784683 1.0298720361 1.5155193754 0 3.4673801419 0.0747383545 1.3461868846 0 3.1457075774 1.4062963372 0.6333719514 0 -3.6650192124 0.1169466254 -1.4458497754 0 -3.2418752482 -0.7515574283 -1.5924029667 0 -3.5372824961 0.2751115374 -0.4868012352 0 3.3746871165 -1.7083782678 0.8113964432 0 3.3023122352 -1.4965930041 -0.1503993168 0 4.1039570741 -2.3339092284 0.8999058026 0 -3.09890962 0.3821913496 1.2738208137 0 -3.7590932515 0.6589027365 1.9209792924 0 -2.3479969182 1.0266832998 1.3507331707 0 -2.2003219871 1.988862024 -2.8131777227 0 -2.7649155718 1.341547891 -2.3258043819 0 -2.6305310776 2.8438751924 -2.6910817192 0 -1.0020397514 2.077723092 1.3363828365 0 -0.3217146073 1.6845777282 1.9215795027 0 -0.6431017859 1.9534091282 0.4284930642 0 -2.1142519639 -2.2280990895 1.2969435301 0 -1.1541151295 -2.1382184746 1.4349832526 0 -2.4619104738 -1.3134556168 1.3682362786 0 2.7153482166 1.8824229777 -1.0829669558 0 3.0872373916 2.6455492869 -1.5414757132 0 1.7399797653 1.9328838371 -1.2056989639 0 0.0009936573 1.6053262335 -1.1894360597 0 0.0291105861 0.6194721592 -1.1867060946 0 -0.6015577573 -1.5858980542 -1.3697234012 0 -0.7222171995 1.8356369665 -1.8145310137 0 0.314121034 -1.3059797741 -0.1391463107 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.215,-1.1199,-1.0984;1.6258,-1.8519,1.4101;1.9399,-1.0347,-1.6822;-2.2697,-2.3315,-1.4342;-2.4622,-3.2004,-1.8068;.9752,.8327,2.8284;1.099,.935,3.7799;-2.2771,-2.4386,-.4524;1.861,.9858,2.4132;.6866,-1.6595,1.6071;.7121,-.8137,2.1023;2.9008,-.8608,-1.7521;2.9678,.1044,-1.6101;3.3428,1.0299,1.5155;3.4674,.0747,1.3462;3.1457,1.4063,.6334;-3.665,.1169,-1.4459;-3.2419,-.7516,-1.5924;-3.5373,.2751,-.4868;3.3747,-1.7084,.8114;3.3023,-1.4966,-.1504;4.104,-2.3339,.8999;-3.0989,.3822,1.2738;-3.7591,.6589,1.921;-2.348,1.0267,1.3507;-2.2003,1.9889,-2.8132;-2.7649,1.3415,-2.3258;-2.6305,2.8439,-2.6911;-1.002,2.0777,1.3364;-.3217,1.6846,1.9216;-.6431,1.9534,.4285;-2.1143,-2.2281,1.2969;-1.1541,-2.1382,1.435;-2.4619,-1.3135,1.3682;2.7153,1.8824,-1.083;3.0872,2.6455,-1.5415;1.74,1.9329,-1.2057;.001,1.6053,-1.1894;.0291,.6195,-1.1867;-.6016,-1.5859,-1.3697;-.7222,1.8356,-1.8145;.3141,-1.306,-.1391; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2O CONF2 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 798 A 798 1120 882 70 70 1293.7730350809 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0452183836 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.969563 0.000000 1.823007 3.213868 0.000000 2.784717 4.847100 4.411799 0.000000 3.463844 5.373871 4.907612 0.964841 0.000000 4.450792 3.105130 4.976250 6.221814 7.040377 0.000000 5.366681 3.696016 5.867001 7.014595 7.809935 0.964988 0.000000 2.892606 4.364113 4.611600 0.987649 1.564947 5.660620 6.378991 0.000000 4.412893 3.018967 4.567350 6.547420 7.349990 0.990120 1.565641 6.087827 0.000000 2.798805 0.978666 3.575048 4.294323 4.893360 2.790271 3.409148 3.692242 3.004366 0.000000 3.253425 1.546536 3.984790 4.868419 5.572606 1.818503 2.453976 4.254683 2.157439 0.980406 0.000000 2.776346 3.550750 0.979036 5.385020 5.851433 5.249448 6.088927 5.566879 4.673416 4.101865 4.432712 0.000000 3.055881 3.840552 1.535971 5.778900 6.359669 4.919439 5.764970 5.942752 4.264826 4.320375 4.439882 0.977842 0.000000 4.608326 3.356222 4.056609 7.176320 7.914006 2.714357 3.189236 6.891050 1.733065 3.781041 3.265475 3.800986 3.281280 0.000000 4.240366 2.666048 3.568654 6.814289 7.471841 2.997010 3.503203 6.523133 2.132841 3.287586 2.992046 3.285693 2.998365 0.977997 0.000000 4.239029 3.678277 3.574128 6.897285 7.656714 3.139745 3.783123 6.735683 2.234963 4.048999 3.606696 3.300047 2.599990 0.979142 1.544223 0.000000 4.087215 6.326542 5.726902 2.818149 3.547083 6.349265 7.118508 3.073124 6.795820 5.604773 5.710917 6.645321 6.634867 7.662405 7.659528 7.236821 0.000000 3.511406 5.824049 5.190293 1.861824 2.578887 6.311656 7.109775 2.253111 6.715779 5.147299 5.411886 6.145761 6.268412 7.496027 7.371037 7.100114 0.977153 0.000000 4.049681 5.897411 5.757108 3.049389 3.870066 5.627081 6.335212 2.992242 6.168935 5.095967 5.093743 6.658886 6.603569 7.205156 7.243293 6.869987 0.980361 1.537423 0.000000 3.738568 1.854135 2.954754 6.106554 6.568936 4.035145 4.580209 5.837247 3.480730 2.803778 3.091272 2.741278 3.052096 2.827512 1.863893 3.128150 7.614751 7.104411 7.307180 0.000000 3.251434 2.317809 2.101422 5.778620 6.235121 4.440016 5.120020 5.666460 3.848568 3.155503 3.499974 1.769454 2.192194 3.026541 2.176258 3.010912 7.268109 6.742466 7.073341 0.987493 0.000000 4.537690 2.575669 3.610878 6.787596 7.154867 4.851288 5.292451 6.523645 4.282673 3.554297 3.906554 3.263565 3.679158 3.503340 2.531004 3.870196 8.477397 7.916861 8.192587 0.964861 1.564249 0.000000 4.343468 5.228037 6.011281 3.922385 4.767680 4.383859 4.920173 3.407662 5.124710 4.313937 4.079275 6.833623 6.723041 6.478683 6.573882 6.360362 2.790599 3.085622 1.817533 6.818488 6.821574 7.707029 0.000000 5.298509 5.963383 6.951979 4.734771 5.520207 4.823634 5.208883 4.174186 5.651019 5.023754 4.710972 7.756026 7.617565 7.123109 7.272795 7.063484 3.411467 3.821095 2.448245 7.597764 7.668130 8.475086 0.965000 0.000000 4.144269 4.907211 5.642188 4.363414 5.277456 3.642107 4.217911 3.907001 4.341162 4.060840 3.649132 6.382839 6.154271 5.693168 5.892778 5.553333 3.222273 3.552916 2.314259 6.365576 6.367599 7.288658 0.992550 1.565770 0.000000 4.294053 6.872160 5.250000 4.535628 5.292425 6.576322 7.447461 5.018141 6.694379 6.417505 6.363817 5.938705 5.631005 7.098120 7.286085 6.387341 2.742078 3.175693 3.183776 7.608407 7.036886 8.498075 4.482456 5.158566 4.276184 0.000000 4.055293 6.590388 5.310003 3.812019 4.581510 6.388521 7.237023 4.247025 6.631967 6.032216 6.028484 6.105751 5.908206 7.221974 7.343694 6.610324 1.756176 2.268581 2.261807 7.539151 7.042633 8.431821 3.740216 4.414699 3.713474 0.987580 0.000000 5.132782 7.548923 6.078657 5.338021 6.110931 6.892813 7.708869 5.748157 7.048349 7.053992 6.894002 6.723264 6.325724 7.527722 7.819986 6.817885 3.171263 3.808933 3.504226 8.309814 7.777748 9.222688 4.690386 5.226745 4.440527 0.964901 1.551926 0.000000 4.199283 4.727901 5.239679 5.359508 6.314316 2.772333 3.419191 5.022247 3.247850 4.109973 3.447498 5.779818 5.323128 4.472983 4.897730 4.260146 4.321680 4.647524 3.605671 5.810844 5.789102 6.761968 2.697333 3.155336 1.707774 4.320027 4.130533 4.411286 0.000000 4.156101 4.069556 5.049438 5.584332 6.507374 1.797252 2.456336 5.143948 2.343932 3.506935 2.709769 5.509986 5.078475 3.744607 4.156910 3.709439 4.997473 5.177853 4.257554 5.138876 5.248477 6.064538 3.135062 3.587141 2.205564 5.102909 4.911942 5.286894 0.979725 0.000000 3.537351 4.537837 4.478379 4.947310 5.904887 3.103949 3.912026 4.768222 3.338488 4.026241 3.506422 5.023386 4.540216 4.233419 4.611684 3.833586 4.002217 4.260808 3.468534 5.449581 5.272943 6.413883 3.035506 3.689534 2.148491 3.596473 3.530244 3.804544 0.984152 1.550763 0.000000 3.520110 3.760572 5.170675 2.737517 3.271073 4.610689 5.147313 1.769483 5.232321 2.874808 3.261519 6.026401 6.302272 6.359355 6.038220 6.427778 3.927726 3.435118 3.387156 5.534828 5.654120 6.231770 2.789929 3.380784 3.263608 5.889250 5.127382 6.472697 4.447322 4.348839 4.517023 0.000000 3.054404 2.794677 4.528547 3.084491 3.653601 3.911749 4.474316 2.216672 4.450483 1.909761 2.383797 5.313395 5.593924 5.501399 5.124771 5.629799 4.437297 3.930221 3.898321 4.591696 4.773350 5.288849 3.187580 3.853049 3.383645 6.014500 5.370938 6.635169 4.219836 3.942517 4.244476 0.974164 0.000000 3.645215 4.123190 5.362746 2.987811 3.693461 4.307178 4.852973 2.148226 5.006544 3.176510 3.295920 6.220987 6.353154 6.261578 6.089668 6.275544 3.378254 3.112790 2.668545 5.876385 5.963728 6.661177 1.813808 2.424542 2.342975 5.334600 4.559253 5.812908 3.692199 3.724893 3.855332 0.981082 1.547584 0.000000 3.907134 4.620396 3.077339 6.536906 7.291531 4.407779 5.211327 6.632784 3.709021 4.888517 4.628990 2.829744 1.871669 2.805824 3.119946 1.832410 6.630059 6.533444 6.483383 4.113052 3.554147 4.861839 6.450639 7.241484 5.682662 5.212367 5.645395 5.664702 4.439636 4.276703 3.683577 6.773877 6.121959 6.559424 0.000000 4.756516 5.574508 3.857512 7.312949 8.064872 5.180988 5.932659 7.470693 4.460687 5.848945 5.557360 3.517611 2.544924 3.467122 3.884865 2.503823 7.210821 7.183355 7.114463 4.957350 4.374779 5.638180 7.163595 7.925125 6.366111 5.477842 6.046758 5.835564 5.032562 4.953501 4.274958 7.672325 7.052150 7.411693 0.964828 0.000000 3.414149 4.602208 3.012241 5.857871 6.661124 4.250766 5.124744 5.984533 3.742694 4.682613 4.420713 3.074222 2.239334 3.284729 3.598436 2.373931 5.706953 5.672270 5.578039 4.472106 3.913547 5.312954 5.653982 6.452825 4.905925 4.255949 4.679572 4.705065 3.741902 3.753946 2.889651 6.199363 5.650032 5.900826 0.984354 1.560686 0.000000 2.735127 4.620615 3.312397 4.551321 5.435410 4.205818 5.133153 4.699632 4.101459 4.353171 4.146395 3.848051 3.351393 4.337684 4.559377 3.640257 3.964930 4.029080 3.844810 5.134762 4.647602 6.059475 4.144043 4.970780 3.507855 2.762142 3.001860 3.273204 2.758441 3.128712 1.775870 5.035027 4.715504 4.596398 2.730538 3.275805 1.769642 0.000000 1.751501 3.924346 2.575457 3.748865 4.602476 4.130547 5.090319 3.899981 4.055716 3.664924 3.652086 3.279898 3.013392 4.295450 4.305111 3.693908 3.737149 3.569826 3.650700 4.539183 4.033053 5.448007 3.986854 4.899975 3.500723 3.080748 3.102502 3.779525 3.091237 3.304386 2.200029 4.344097 3.984738 4.058217 2.970131 3.685511 2.156962 0.986259 0.000000 0.978582 3.571974 2.619263 1.828320 2.501959 5.095063 5.980404 2.091922 5.194963 3.244468 3.791661 3.597053 3.956650 5.542988 5.166250 5.196885 3.505748 2.777947 3.586278 4.536828 4.090835 5.277557 4.135029 5.083098 4.156503 4.173550 3.763529 5.048328 4.572255 4.648333 3.970139 3.132376 2.911487 3.321379 4.807634 5.616214 4.229838 3.252612 2.301064 0.000000 3.182214 5.432253 3.917047 4.461431 5.328169 5.044187 5.951940 4.747883 5.026766 5.090064 4.941407 4.516768 4.081098 5.316271 5.535669 4.597543 3.427814 3.618231 3.481767 6.019980 5.483605 6.931467 4.159217 4.955942 3.649173 1.790410 2.162901 2.329495 3.172564 3.760551 2.247507 5.304054 5.151447 4.803470 3.514859 3.904160 2.538217 0.983270 1.561318 3.452436 0.000000 0.982109 2.102037 2.257848 3.066749 3.752088 3.717121 4.582228 2.845272 3.762855 1.820236 2.329082 3.080750 3.345867 4.167364 3.749085 3.996387 4.423319 3.881295 4.177801 3.229941 2.994286 4.061912 4.061425 4.969503 3.840303 4.932428 4.612087 5.692508 3.919045 3.687047 3.444141 2.968106 2.307861 3.158894 4.101536 5.027055 3.696058 3.110765 2.210425 1.559212 3.708189 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0481,.036,-1.5823;1.8792,-2.0278,-.6634;1.5027,.7716,-2.1965;-2.5617,-.9427,-2.2742;-2.8453,-1.3082,-3.1209;1.6018,-1.2778,2.337;1.9374,-1.8614,3.0284;-2.35,-1.7122,-1.6924;2.3738,-.743,2.0234;1.0112,-2.178,-.2372;1.1591,-1.9406,.7025;2.4257,1.088,-2.2761;2.5365,1.6639,-1.4936;3.6167,.1491,1.2092;3.6866,-.3713,.3841;3.232,1.0027,.9228;-3.8892,.5418,-.2803;-3.5221,.1108,-1.0767;-3.5472,-.0079,.4559;3.451,-1.2377,-1.2493;3.1675,-.4223,-1.7287;4.1726,-1.6205,-1.7628;-2.7233,-1.1123,1.6412;-3.2173,-1.4801,2.384;-1.9652,-.6071,2.0352;-2.7426,3.0249,-.0839;-3.1924,2.147,-.1325;-3.1223,3.4628,.6875;-.6421,.3343,2.564;.1466,-.2469,2.5596;-.498,.9456,1.8064;-1.7956,-2.7794,-.3945;-.8278,-2.6682,-.3953;-2.1054,-2.2518,.3725;2.434,2.4795,.1879;2.7042,3.3873,.3714;1.4568,2.4519,.3031;-.2386,1.9484,.3638;-.2245,1.2704,-.3523;-.9113,-.2186,-1.9667;-1.0803,2.4388,.2308;.2611,-.7558,-1.0904; 0.3999848 0.2499287 0.2346102 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 798 RedAO= T EigKep= 8.11D-05 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 869 868 868 868 869 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.75756435114 -1070.78317797193 -0.025613620786 -1070.78327752932 -0.000099557395 -1070.78329435060 -0.000016821274 -1070.78330334831 -0.000008997710 -1070.78330343021 -0.000000081904 -1070.78330344361 -0.000000013398 -1070.78330344414 -0.000000000535 -1070.78330344 8 1.066998113524e+03 -5.119026663772e+03 1.687503522009e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT2895.200S Tue Nov 5 06:46:32 2024 -19.12914 -19.12838 -19.12802 -19.12795 -19.12617 -19.12067 -19.12000 -19.11934 -19.11614 -19.11596 -19.11582 -19.11521 -19.11346 -19.11056 -1.02884 -1.02285 -1.01972 -1.01856 -1.01478 -1.01250 -1.01043 -1.00492 -1.00172 -0.99889 -0.99807 -0.99141 -0.99033 -0.98695 -0.54561 -0.54418 -0.54104 -0.53823 -0.53505 -0.53112 -0.52903 -0.52799 -0.52468 -0.52371 -0.52061 -0.52004 -0.51796 -0.51662 -0.44885 -0.43840 -0.43543 -0.42066 -0.41551 -0.41240 -0.40166 -0.39862 -0.39527 -0.39071 -0.38059 -0.38053 -0.37405 -0.36182 -0.33070 -0.32967 -0.32806 -0.32777 -0.32572 -0.32413 -0.32372 -0.32125 -0.31896 -0.31777 -0.31767 -0.31592 -0.31488 -0.31257 -0.00079 0.02559 0.03689 0.03997 0.05533 0.06014 0.07288 0.08033 0.08855 0.10065 0.10239 0.10617 0.10862 0.11164 0.11599 0.12310 0.13236 0.13665 0.13821 0.14406 0.14959 0.15020 0.15166 0.16364 0.16925 0.17140 0.17519 0.17785 0.18672 0.18920 0.19089 0.19686 0.20200 0.20549 0.20668 0.21220 0.21338 0.21886 0.22592 0.22966 0.23065 0.23696 0.23862 0.24258 0.24760 0.25214 0.25825 0.26050 0.26219 0.26412 0.26764 0.26983 0.27218 0.27432 0.27862 0.28007 0.28253 0.28721 0.28952 0.29165 0.29455 0.29803 0.30097 0.30255 0.30680 0.31235 0.32205 0.33007 0.34068 0.35325 0.36988 0.37812 0.39690 0.42346 0.42948 0.44043 0.44775 0.45256 0.45767 0.46217 0.47467 0.47663 0.48332 0.49367 0.49951 0.50573 0.50849 0.51104 0.51884 0.52616 0.52986 0.53417 0.53616 0.54284 0.54715 0.55317 0.55783 0.56169 0.56491 0.56520 0.57681 0.58041 0.59251 0.59817 0.60123 0.60402 0.61406 0.62039 0.62615 0.63179 0.63695 0.64641 0.65125 0.65606 0.65993 0.67614 0.68104 0.68210 0.69472 0.69861 0.70380 0.71264 0.71636 0.72168 0.73277 0.74446 0.75264 0.76402 0.76783 0.77554 0.78124 0.78461 0.79665 0.80331 0.81592 0.81661 0.82306 0.82526 0.83508 0.83911 0.84687 0.84972 0.85845 0.86257 0.86376 0.86986 0.87248 0.88000 0.88412 0.89150 0.89530 0.89890 0.90144 0.90908 0.91962 0.92176 0.92642 0.92677 0.92861 0.93463 0.94316 0.95091 0.95539 0.96089 0.96773 0.97060 0.97322 0.97764 0.98649 0.98919 0.99475 0.99834 1.00342 1.00974 1.01197 1.01973 1.02092 1.02390 1.03313 1.03824 1.04148 1.04699 1.05270 1.05450 1.06337 1.06594 1.07086 1.07173 1.07943 1.08139 1.08981 1.09228 1.09431 1.09864 1.10528 1.11007 1.11688 1.11862 1.13456 1.13825 1.14167 1.14851 1.15046 1.15564 1.16200 1.17264 1.17748 1.18280 1.18576 1.18880 1.20031 1.21079 1.21343 1.21764 1.22146 1.23215 1.23841 1.24125 1.25030 1.25646 1.26493 1.27252 1.28339 1.28681 1.29138 1.29651 1.31018 1.31667 1.32637 1.32726 1.34145 1.35109 1.35521 1.36261 1.36878 1.37269 1.37819 1.38926 1.40004 1.40498 1.41192 1.41797 1.42148 1.42639 1.43682 1.45144 1.45706 1.46269 1.47130 1.47877 1.49236 1.50317 1.50689 1.51907 1.52288 1.53052 1.53685 1.54155 1.54535 1.55209 1.55570 1.56048 1.57176 1.58169 1.58888 1.59243 1.60393 1.60740 1.62771 1.63409 1.64136 1.65706 1.66502 1.67487 1.68637 1.69725 1.70717 1.73266 1.75215 1.75339 1.76256 1.77202 1.77783 1.80411 1.82965 1.84648 1.85571 1.87330 1.88663 1.89894 1.91269 1.95806 1.97044 1.99013 2.01747 2.03881 2.07433 2.09158 2.10576 2.10985 2.11899 2.12297 2.15453 2.17543 2.17879 2.18579 2.21334 2.21506 2.22066 2.23409 2.26271 2.27979 2.28406 2.30247 2.31311 2.32566 2.34177 2.35094 2.35548 2.37512 2.38600 2.41719 2.69429 2.72023 2.73375 2.73752 2.74510 2.75649 2.75942 2.76275 2.78192 2.78781 2.79594 2.80959 2.81071 2.84437 2.84702 2.86153 2.87623 2.88363 2.89934 2.91683 2.94611 2.96181 2.97524 2.98471 3.03061 3.06294 3.06710 3.09284 3.11364 3.13754 3.15236 3.16113 3.16815 3.18430 3.19424 3.19532 3.20946 3.22140 3.23433 3.24045 3.24702 3.25684 3.27254 3.28018 3.28337 3.29736 3.30043 3.31227 3.31894 3.32560 3.34302 3.34489 3.35366 3.36124 3.36262 3.37150 3.38389 3.39333 3.40036 3.40275 3.41672 3.41871 3.42281 3.42747 3.43746 3.44947 3.45510 3.46134 3.46548 3.46654 3.47203 3.47739 3.48576 3.49011 3.49182 3.49628 3.51426 3.52080 3.52273 3.53361 3.53826 3.54174 3.54547 3.55307 3.55599 3.56817 3.57911 3.58808 3.59534 3.60381 3.61473 3.61906 3.62668 3.63350 3.63815 3.64404 3.66071 3.68656 3.82245 3.82731 3.82857 3.83642 3.84152 3.84622 3.93145 3.95623 3.96501 3.96951 3.99943 4.00247 4.00497 4.02589 4.03953 4.04671 4.05593 4.06850 4.07955 4.08647 4.10508 4.11129 4.12905 4.13010 4.14164 4.14246 4.15148 4.15743 4.18298 4.19021 4.19830 4.20806 4.21541 4.21844 4.23312 4.24182 4.24981 4.25922 4.26829 4.28681 4.30159 4.31424 4.33513 4.34515 4.36066 4.36256 4.36823 4.38087 4.38599 4.39323 4.40015 4.41594 4.44023 4.45639 4.46055 4.48508 4.64158 4.64293 4.65084 4.65232 4.65635 4.65984 4.73367 4.73990 4.75140 4.76584 4.77245 4.78262 4.79173 4.80889 4.84325 4.85109 4.85909 4.87357 4.88115 4.88525 4.89007 4.90084 4.90584 4.91078 4.92528 4.93310 4.93988 4.98677 5.03792 5.04354 5.04444 5.04880 5.05433 5.07351 5.08145 5.14118 5.15995 5.16738 5.17266 5.18610 5.19016 5.19283 5.20140 5.21034 5.22027 5.23081 5.24125 5.24800 5.25755 5.26433 5.26808 5.26906 5.27744 5.28375 5.28632 5.29140 5.29365 5.29954 5.30551 5.30945 5.32152 5.33152 5.33538 5.34775 5.35651 5.36292 5.36554 5.36768 5.37602 5.38145 5.38676 5.39755 5.40822 5.40895 5.41008 5.41846 5.42220 5.42717 5.43419 5.44075 5.44170 5.45274 5.45348 5.46368 5.46789 5.47293 5.47503 5.48234 5.49293 5.49956 5.50172 5.52217 5.53260 5.53598 5.54765 5.55761 5.57206 5.57573 5.57947 5.58281 5.58470 5.58613 5.58944 5.59604 5.59788 5.60237 5.60491 5.60982 5.62025 5.62461 5.63217 5.64508 5.65276 5.65777 5.66941 5.67905 5.69945 5.70955 5.71418 5.73816 5.75661 5.76196 5.76383 5.77437 5.77938 5.79429 5.82668 5.83073 5.84998 5.87219 5.89236 5.90418 5.90835 5.92791 5.93044 5.94429 5.95070 5.97577 5.98126 6.00005 6.93992 6.95038 6.95349 6.96150 6.97077 6.97708 6.99174 6.99484 7.00751 7.01128 7.01314 7.01481 7.02118 7.04022 7.04588 7.04736 7.05003 7.06599 7.07348 7.08495 7.08801 7.11065 7.11610 7.12442 7.14881 7.15659 7.17298 7.21831 14.36088 14.36303 14.37404 14.37631 14.37912 14.38075 14.38752 14.39069 14.39383 14.39429 14.39561 14.40019 14.40419 14.40558 14.41102 14.41123 14.41627 14.41779 14.42875 14.43081 14.43432 14.44084 14.44585 14.45124 14.45504 14.45889 14.46685 14.46835 14.47148 14.47603 14.47947 14.48884 14.49661 14.50280 14.50615 14.52479 14.52644 14.52829 14.53650 14.54389 14.54974 14.57757 14.66671 14.67046 14.67273 14.67326 14.67552 14.67909 14.68903 14.69543 14.69836 14.70391 14.70657 14.70885 14.71309 14.72564 15.05417 15.05598 15.06267 15.06459 15.06604 15.06697 15.07943 15.08102 15.08323 15.08457 15.08666 15.08892 15.10099 15.13130 50.01469 50.02636 50.02875 50.03649 50.04252 50.04666 50.05276 50.06677 50.07126 50.08234 50.10311 50.11513 50.11785 50.15738 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.876466 0.389544 0.399335 -0.743792 0.310796 -0.804600 0.307609 0.435417 0.492385 -0.831814 0.427816 -0.808714 0.386421 -0.837142 0.402278 0.419849 -0.826545 0.387120 0.420957 -0.742122 0.442116 0.317500 -0.798220 0.308432 0.508874 -0.822225 0.508636 0.293864 -0.951527 0.446238 0.484050 -0.803804 0.368869 0.441235 -0.743736 0.321537 0.437805 -0.941343 0.493938 0.430660 0.471263 0.477505 -0.00000 2.5610 -1.7623 1.4284 3.4212 -97.4064 -92.5999 -89.2765 -0.8171 -4.4583 5.2158 -4.3122 0.4944 3.8178 -0.8171 -4.4583 5.2158 55.2831 77.5925 -3.8108 49.8843 -41.5362 -1.0881 -42.4900 -71.3317 44.6737 -4.0404 -3628.9430 -1657.1666 -1287.9157 -46.2367 -299.6507 16.1911 78.9795 151.4956 -14.2729 -682.6263 -628.3778 -427.7627 112.6193 -41.6781 -24.9256 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GALAPAGAR LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF2 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.7833034 RMSD=6.156e-09 Dipole=0.7830001,-0.0575983,1.0933086 Quadrupole=-2.2692016,5.4533993,-3.1841977,-3.0953293,-1.8490603,0.3380442 PG=C01 [X(H28O14)] 0 0.2150339765 -1.1198910605 -1.098359615 0 1.625750173 -1.8519504998 1.4100806602 0 1.9399107541 -1.0346991879 -1.6822248764 0 -2.2696922204 -2.3315002863 -1.434200438 0 -2.4622330382 -3.2004003801 -1.8068372659 0 0.9752385927 0.8326596683 2.828366859 0 1.0989551861 0.9349735816 3.7799065426 0 -2.2771269396 -2.4386194949 -0.4524058519 0 1.8609545757 0.9857745559 2.413155568 0 0.6866425099 -1.6595115903 1.6071360001 0 0.7121321888 -0.8136951068 2.1022518856 0 2.9008388804 -0.8607977375 -1.752132529 0 2.9678021327 0.1043560135 -1.6101178811 0 3.342784683 1.0298720361 1.5155193754 0 3.4673801419 0.0747383545 1.3461868846 0 3.1457075774 1.4062963372 0.6333719514 0 -3.6650192124 0.1169466254 -1.4458497754 0 -3.2418752482 -0.7515574283 -1.5924029667 0 -3.5372824961 0.2751115374 -0.4868012352 0 3.3746871165 -1.7083782678 0.8113964432 0 3.3023122352 -1.4965930041 -0.1503993168 0 4.1039570741 -2.3339092284 0.8999058026 0 -3.09890962 0.3821913496 1.2738208137 0 -3.7590932515 0.6589027365 1.9209792924 0 -2.3479969182 1.0266832998 1.3507331707 0 -2.2003219871 1.988862024 -2.8131777227 0 -2.7649155718 1.341547891 -2.3258043819 0 -2.6305310776 2.8438751924 -2.6910817192 0 -1.0020397514 2.077723092 1.3363828365 0 -0.3217146073 1.6845777282 1.9215795027 0 -0.6431017859 1.9534091282 0.4284930642 0 -2.1142519639 -2.2280990895 1.2969435301 0 -1.1541151295 -2.1382184746 1.4349832526 0 -2.4619104738 -1.3134556168 1.3682362786 0 2.7153482166 1.8824229777 -1.0829669558 0 3.0872373916 2.6455492869 -1.5414757132 0 1.7399797653 1.9328838371 -1.2056989639 0 0.0009936573 1.6053262335 -1.1894360597 0 0.0291105861 0.6194721592 -1.1867060946 0 -0.6015577573 -1.5858980542 -1.3697234012 0 -0.7222171995 1.8356369665 -1.8145310137 0 0.314121034 -1.3059797741 -0.1391463107