Gaussian 16 GINC-GRINYON LAMSABHI Optimization 15-agua/ CONF67 water EM64L-G16RevC.01 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 75 75 510 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(H30O15)] C1[X(H30O15)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq 239.99100000000004 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.1356,1.06,1.8173;-.3256,2.0888,.1578;-1.255,2.0789,-3.2974;2.3582,-1.5802,2.4747;2.7586,-.7006,2.3469;-.5362,3.2622,1.3651;.0233,4.0048,1.1173;1.4439,-1.3763,2.7551;-.0375,2.8016,2.0839;-.1957,1.3148,-.4445;-.6297,.5665,.0219;-1.2016,1.1996,-2.9091;-.8754,1.3379,-1.9853;-3.7151,1.0116,.3225;-3.7261,.6463,-.5921;-3.1901,1.8153,.2496;-.1799,-.7037,3.1614;-.6854,-1.1011,3.877;-.7562,-.7417,2.3632;-3.5341,-.1341,-2.1582;-3.1079,-.9635,-1.8781;-2.7899,.3895,-2.5128;2.4135,.5669,-.7791;1.4816,.8582,-.6637;2.3831,-.3995,-.6268;2.2624,-2.1564,-.1363;2.2561,-2.0158,.8451;3.1119,-2.564,-.332;.8593,1.909,3.2278;1.6941,1.7204,2.7605;.4276,1.0362,3.2888;.426,-2.5882,-2.2031;.6341,-1.7858,-2.7271;1.0132,-2.519,-1.4286;-1.5957,-.6332,.9019;-2.4089,-.0847,.8427;-1.7145,-1.3374,.2229;-1.9904,-2.3122,-1.1684;-2.3173,-3.1961,-.9741;-1.0958,-2.4343,-1.587;1.1122,-.2432,-3.5219;.2919,.2763,-3.413;2.9426,.9635,.8574;1.6855,.0824,-2.8153;4.0327,1.4026,1.8748; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6372152/Gau-88736.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6372152/" chk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF67/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 15-agua/ CONF67 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 1 2 2 3 4 4 4 6 6 8 9 10 10 10 11 12 12 12 14 14 14 15 17 17 17 19 20 20 21 23 23 23 25 26 26 26 29 29 32 32 32 33 35 35 37 38 38 41 41 5 30 43 45 6 10 12 5 8 27 7 9 17 29 11 13 24 35 13 22 42 15 16 36 20 18 19 31 35 21 22 38 24 25 43 26 27 28 34 30 31 33 34 40 41 36 37 38 39 40 42 44 1.8768 1.8449 0.9838 0.962 1.6967 0.9893 0.9627 0.9749 0.9779 1.6899 0.9622 0.9887 1.8039 1.7057 0.9828 1.6842 1.7521 1.7739 0.9895 1.8265 1.8267 0.9849 0.9628 1.7829 1.7603 0.962 0.9852 1.8474 1.6888 0.9736 0.9766 1.8899 0.9831 0.9788 1.7651 1.8281 0.9915 0.9623 1.8335 0.975 0.9756 0.9807 0.9745 1.649 1.8 0.9827 0.9854 1.7211 0.9622 0.9951 0.977 0.9664 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 5 30 30 43 5 5 8 1 2 2 7 2 2 2 11 11 13 3 3 3 13 13 22 15 15 16 8 8 8 18 18 19 15 15 21 24 24 25 25 25 25 27 27 28 9 9 30 33 33 34 11 11 11 19 19 36 21 21 21 37 37 39 33 33 42 1 1 1 1 1 1 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 30 43 45 43 45 45 8 27 27 4 7 9 9 11 13 24 13 24 24 13 22 42 22 42 42 16 36 36 18 19 31 19 31 31 21 22 22 25 43 43 27 28 34 28 34 34 30 31 31 34 40 40 19 36 37 36 37 37 37 39 40 39 40 40 42 44 44 91.9799 98.2757 120.3003 112.3719 124.7902 106.034 103.4947 97.5313 105.8894 164.9981 106.1585 97.6118 104.6906 104.4098 119.5579 113.936 105.4483 106.4744 105.9914 105.4969 116.384 113.3125 98.3957 93.3667 123.1386 104.2054 92.9256 97.8088 119.1125 109.2466 94.0521 106.222 120.7004 106.5323 99.7525 99.6999 103.1588 104.1723 96.2379 94.9791 97.4506 107.1076 92.6335 105.4781 136.1692 111.9899 103.2978 106.1056 103.6376 103.8095 108.6064 104.6266 101.6543 92.4836 101.9588 119.9541 127.6037 104.9317 89.6647 122.0384 117.4644 114.2959 105.3947 106.1171 100.5726 97.091 103.7346 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 1 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 1 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 43 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 43 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 23 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 23 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 1 1 6 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 1 1 6 -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 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 175.8362 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 173.286 175.6185 184.4246 183.3214 172.7172 173.136 167.1598 168.3417 178.4955 174.101 176.241 176.9646 175.2292 173.4999 176.1268 171.0636 169.3832 176.5769 171.2837 178.7208 173.3152 188.0347 178.0742 173.2663 189.6796 175.7393 175.1123 181.1218 180.9372 178.3881 176.171 173.1509 169.816 189.3582 179.4371 170.6161 191.7759 183.4646 180.5472 175.8508 189.7028 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 30 43 45 5 5 30 30 45 45 5 5 43 43 45 45 5 5 5 27 27 27 5 5 5 8 8 8 7 7 7 9 9 9 8 27 2 2 7 7 2 2 2 11 11 11 24 24 24 2 2 11 11 13 13 2 2 2 13 13 13 24 24 24 3 3 13 13 42 42 3 3 13 13 22 22 16 16 36 36 15 15 15 16 16 16 8 8 18 18 19 19 8 8 8 18 18 18 31 31 31 15 15 15 22 22 22 24 24 24 43 43 43 25 25 27 27 28 28 33 33 33 34 34 34 34 34 40 40 11 11 11 19 19 19 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 4 4 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 35 5 5 5 23 23 23 23 23 23 29 29 29 29 29 29 17 17 17 17 17 17 26 26 26 26 26 26 10 10 10 10 10 10 5 5 29 29 29 29 12 12 12 12 12 12 12 12 12 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 20 20 20 20 20 20 41 41 41 41 41 41 20 20 20 20 35 35 35 35 35 35 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 26 26 26 26 26 26 32 32 32 32 32 32 38 38 38 38 38 38 41 41 41 41 38 38 38 38 38 38 38 38 38 4 4 4 24 25 24 25 24 25 9 31 9 31 9 31 18 19 31 18 19 31 25 28 34 25 28 34 11 13 24 11 13 24 1 1 30 31 30 31 3 22 42 3 22 42 3 22 42 25 43 25 43 25 43 19 36 37 19 36 37 19 36 37 15 21 15 21 15 21 33 44 33 44 33 44 21 22 21 22 11 19 37 11 19 37 9 30 9 30 9 30 11 36 37 11 36 37 11 36 37 37 39 40 37 39 40 27 28 34 27 28 34 33 40 33 40 33 40 21 37 39 21 37 39 42 44 42 44 21 39 40 21 39 40 21 39 40 67.6769 -45.2702 -159.3665 92.9091 -11.5207 -0.1587 -104.5885 -142.9761 112.5942 -126.7596 -18.1471 -28.3498 80.2627 104.5288 -146.8587 -137.6883 97.9012 -9.8795 122.4593 -1.9512 -109.732 -20.2654 88.3318 -117.7681 85.3712 -166.0315 -12.1314 167.1247 -76.3866 54.1073 59.8318 176.3204 -53.1857 -52.7554 55.6497 52.1628 -55.806 -55.9965 -163.9653 31.0459 -91.413 145.3414 148.9218 26.4629 -96.7827 -99.9848 137.5563 14.3106 130.9608 34.3612 16.634 -79.9655 -95.0275 168.373 -61.8582 58.8455 164.1496 173.4375 -65.8588 39.4453 59.3983 -179.898 -74.5939 -82.5627 176.7114 28.6723 -72.0536 125.7932 25.0673 -174.634 86.9634 78.0462 -20.3565 -22.0827 -120.4853 118.8139 14.2203 21.356 -83.2376 78.1025 178.849 -23.1148 -26.0715 74.675 -127.2888 122.1983 16.0886 -110.9047 142.9857 11.8407 -94.269 -65.3359 -163.3236 47.703 162.8022 64.8144 -84.159 32.8144 -65.1733 145.8533 -17.6656 99.8774 -122.9632 82.7946 -159.6623 -22.5029 -79.1636 172.6175 57.8909 17.489 -90.7299 154.5435 18.0331 -94.4439 118.8866 6.4096 -90.2236 157.2994 15.3867 -81.383 157.6519 125.1933 28.4236 -92.5415 -111.0517 -6.0532 -1.7711 103.2274 -70.0115 165.6182 47.4059 176.3033 51.933 -66.2793 23.8041 -100.5662 141.2215 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 525 A 510 A 780 525 1458.3447600591 45 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 7.93D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Berny optimization. local minimum Step number 38 out of a maximum of 270 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00054 0.00096 0.00119 0.00193 0.00265 0.00307 0.00372 0.00376 0.00386 0.00409 0.00427 0.00437 0.00498 0.00537 0.00599 0.00674 0.00728 0.00878 0.00985 0.01043 0.01106 0.01303 0.01378 0.01508 0.01535 0.01750 0.01954 0.02188 0.02261 0.02386 0.02635 0.02720 0.02828 0.02932 0.03110 0.03265 0.03339 0.03475 0.03521 0.03587 0.03618 0.03809 0.03927 0.03960 0.04069 0.04178 0.04276 0.04410 0.04494 0.04535 0.04701 0.04729 0.04758 0.04846 0.05047 0.05108 0.05199 0.05214 0.05258 0.05336 0.05507 0.05595 0.05700 0.05781 0.05848 0.05877 0.05986 0.06028 0.06075 0.06168 0.06186 0.06282 0.06321 0.06395 0.06619 0.06654 0.06808 0.06861 0.06959 0.07011 0.07112 0.07239 0.07256 0.07287 0.07435 0.07657 0.07700 0.07877 0.08171 0.08463 0.08601 0.09078 0.09114 0.09186 0.09431 0.09723 0.10173 0.10877 0.12198 0.37565 0.39754 0.40912 0.42105 0.43572 0.44385 0.45582 0.46334 0.46677 0.47080 0.47537 0.47897 0.48037 0.48371 0.48781 0.49623 0.50113 0.50504 0.50897 0.51019 0.51454 0.51963 0.53476 0.54881 0.54919 0.54989 0.55004 0.55028 0.55050 0.55322 -7.76769632e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 3.52435 3.45979 1.86012 1.82311 3.35357 1.85995 1.82409 1.84730 1.85148 3.28764 1.82386 1.86752 3.43223 3.30089 1.86041 3.27181 3.32888 3.36111 1.86847 3.45438 3.49079 1.86467 1.82387 3.43315 3.36294 1.82329 1.86211 3.45083 3.26852 1.85003 1.85126 3.47242 1.86358 1.85209 3.41693 3.49174 1.86958 1.82383 3.43894 1.84804 1.85039 1.85606 1.84753 3.22143 3.44990 1.85598 1.85736 3.36017 1.82331 1.87452 1.84995 1.84474 1.42217 1.72477 2.17194 1.99048 2.21779 1.86180 1.82063 1.70446 1.91301 2.91928 1.93723 1.66766 1.83579 1.84742 2.08866 1.95114 1.86076 1.92808 1.78488 1.85099 2.05963 2.04228 1.74995 1.63557 2.02389 1.83344 1.58919 1.89769 2.08112 1.96554 1.46907 1.85599 2.10230 1.97340 1.74441 1.79320 1.81437 1.83624 1.68208 1.65141 1.65689 1.96522 1.45349 1.84938 2.37159 2.01413 1.77496 1.83909 1.82157 1.82019 1.91308 1.83417 1.63525 1.70900 1.80379 2.18896 2.16131 1.83000 1.50417 2.11306 1.95424 2.09556 1.91976 1.85827 1.79590 1.62113 1.81109 3.07082 3.07027 3.02822 3.20342 3.15963 3.02569 3.05195 2.99549 2.99849 3.20799 3.05051 3.04088 3.06584 3.09502 3.00988 3.09881 3.09399 2.97480 3.07940 2.97465 3.08813 3.07460 3.23944 3.12896 3.15431 3.36142 3.01998 3.03931 3.11776 3.14350 3.14855 3.10444 3.02801 3.05084 3.24162 3.12669 3.06542 3.37658 3.19751 3.10986 3.05280 3.38007 1.47781 -0.49765 -2.54476 1.46941 -0.36903 0.05165 -1.78679 -2.56192 1.88282 -2.30376 -0.41730 -0.63649 1.24997 1.76614 -2.63058 -2.35716 1.70253 -0.24740 2.14624 -0.07727 -2.02720 -0.49159 1.48997 -1.88434 1.37670 -2.92492 -0.01605 2.98317 -1.19157 0.91826 1.09918 -3.07556 -0.96572 -1.13222 0.83243 1.02881 -0.85305 -0.93564 -2.81750 0.26625 -1.92081 2.33883 2.37919 0.19213 -1.83142 -1.91083 2.18529 0.16174 2.25085 0.55305 0.18430 -1.51349 -1.78936 2.79603 -0.99774 1.21230 3.08003 3.05798 -1.01516 0.85257 1.14101 -2.93213 -1.06440 -1.35841 -3.14148 0.63003 -1.15304 2.33712 0.55405 -2.99759 1.64016 1.38869 -0.25675 -0.38276 -2.02820 2.40177 0.55163 0.51446 -1.33568 1.24174 2.97276 -0.57637 -0.58592 1.14509 -2.40404 2.17917 0.34064 -2.01094 2.43371 0.23524 -1.60329 -1.15486 -2.91187 0.70992 2.79204 1.03503 -1.62636 0.42581 -1.33120 2.29059 -0.44524 1.68409 -2.34729 1.37554 -2.77831 -0.52650 -1.20742 -3.10592 1.16303 0.48393 -1.41457 2.85438 0.30492 -1.69540 1.84802 -0.15230 -1.63479 2.64807 0.31291 -1.30622 2.68031 2.24735 0.62822 -1.66844 -1.99195 -0.17291 -0.07042 1.74861 -1.22422 2.91935 0.71009 -3.01387 1.12970 -1.07956 0.52017 -1.61944 2.45448 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 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 0.00001 -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 -0.00007 0.00011 -0.00000 -0.00001 0.00011 -0.00001 -0.00000 -0.00001 -0.00002 -0.00019 -0.00001 -0.00000 0.00003 0.00001 0.00001 -0.00004 -0.00006 -0.00029 0.00001 0.00008 -0.00015 -0.00000 -0.00000 -0.00024 -0.00004 -0.00000 0.00000 0.00019 -0.00006 0.00002 -0.00001 -0.00023 0.00001 -0.00001 -0.00015 0.00010 0.00001 -0.00001 -0.00016 -0.00001 -0.00001 0.00001 0.00002 0.00010 -0.00015 0.00001 -0.00001 0.00015 -0.00000 -0.00001 0.00001 0.00001 -0.00021 0.00002 -0.00051 0.00025 0.00017 0.00012 0.00002 0.00008 0.00028 0.00025 0.00013 -0.00012 0.00003 -0.00002 0.00009 0.00012 -0.00012 -0.00014 0.00003 0.00002 0.00006 0.00007 -0.00003 -0.00005 -0.00009 0.00005 -0.00001 0.00001 0.00032 -0.00013 -0.00010 0.00003 -0.00003 -0.00011 -0.00004 0.00005 0.00002 0.00002 -0.00004 -0.00002 -0.00001 0.00010 0.00000 0.00006 -0.00018 0.00007 0.00002 0.00001 0.00000 0.00000 0.00007 -0.00012 0.00035 0.00012 0.00031 -0.00011 -0.00024 -0.00003 -0.00011 0.00002 -0.00014 0.00005 0.00013 0.00003 0.00012 -0.00008 -0.00002 0.00002 -0.00019 0.00024 -0.00010 -0.00008 -0.00006 -0.00007 0.00013 0.00015 0.00018 0.00014 -0.00010 0.00002 -0.00016 0.00004 0.00006 0.00028 -0.00018 -0.00016 0.00007 -0.00018 -0.00022 -0.00004 -0.00001 0.00001 -0.00002 -0.00013 -0.00011 -0.00002 0.00011 0.00003 0.00001 -0.00023 0.00017 0.00001 0.00001 -0.00000 0.00006 -0.00008 -0.00003 -0.00006 0.00024 0.00066 0.00043 0.00052 -0.00011 -0.00012 0.00016 0.00014 -0.00068 -0.00069 0.00019 0.00023 0.00011 0.00015 0.00098 0.00101 -0.00008 -0.00028 -0.00011 -0.00021 -0.00041 -0.00024 0.00013 0.00019 0.00024 0.00021 0.00028 0.00033 0.00005 -0.00015 0.00021 0.00005 -0.00015 0.00021 -0.00082 -0.00050 -0.00033 -0.00037 -0.00047 -0.00051 0.00001 -0.00002 0.00008 -0.00007 -0.00010 -0.00000 -0.00025 -0.00028 -0.00018 -0.00015 -0.00015 -0.00016 -0.00016 0.00002 0.00001 0.00005 0.00004 0.00011 -0.00001 -0.00002 0.00005 0.00006 0.00005 0.00012 0.00003 0.00003 0.00009 0.00008 0.00003 0.00003 0.00012 0.00018 0.00010 0.00016 0.00016 0.00022 0.00037 0.00036 0.00038 0.00037 -0.00021 0.00056 -0.00056 -0.00027 0.00050 -0.00062 -0.00001 -0.00001 0.00031 0.00031 0.00017 0.00018 0.00011 -0.00027 0.00066 -0.00024 -0.00062 0.00031 -0.00014 -0.00052 0.00041 -0.00025 -0.00025 -0.00036 -0.00019 -0.00019 -0.00029 0.00029 0.00018 0.00011 0.00027 0.00017 0.00009 -0.00003 -0.00009 0.00001 -0.00005 -0.00015 -0.00021 0.00008 0.00025 0.00008 0.00003 0.00020 0.00003 0.00011 0.00008 0.00001 -0.00001 0.00007 0.00011 -0.00014 -0.00051 -0.00047 -0.00071 0.00023 0.00027 0.00003 -0.00003 0.00001 -0.00000 -0.00000 -0.00005 0.00000 0.00000 0.00000 -0.00002 0.00016 0.00000 -0.00000 0.00019 0.00007 -0.00002 0.00003 0.00009 0.00021 -0.00000 -0.00008 -0.00010 -0.00001 -0.00000 0.00013 0.00001 -0.00000 0.00000 0.00012 -0.00006 0.00000 0.00000 -0.00001 -0.00002 0.00001 -0.00002 -0.00005 -0.00002 -0.00000 0.00004 0.00000 -0.00001 -0.00002 -0.00001 -0.00010 0.00019 -0.00001 0.00001 -0.00003 -0.00000 0.00001 0.00001 -0.00002 -0.00011 0.00001 -0.00007 0.00005 0.00008 -0.00000 0.00004 -0.00011 0.00013 -0.00001 0.00006 -0.00007 -0.00003 0.00002 -0.00014 0.00019 -0.00005 -0.00001 -0.00002 -0.00001 -0.00002 -0.00004 -0.00008 0.00007 0.00008 0.00005 -0.00001 -0.00021 0.00006 -0.00013 0.00007 0.00002 -0.00001 -0.00002 0.00008 -0.00002 0.00001 -0.00001 -0.00006 -0.00004 -0.00017 0.00010 -0.00005 0.00001 0.00004 0.00001 0.00015 -0.00008 -0.00000 -0.00000 0.00006 0.00006 0.00001 -0.00011 -0.00003 -0.00018 0.00023 0.00000 -0.00007 0.00005 0.00006 0.00004 -0.00009 0.00000 0.00002 0.00006 0.00003 -0.00002 -0.00013 -0.00008 -0.00002 0.00013 -0.00001 -0.00004 0.00001 0.00000 -0.00009 0.00004 0.00018 -0.00001 0.00005 -0.00017 0.00007 -0.00010 0.00007 0.00006 0.00010 -0.00007 0.00001 -0.00004 0.00022 -0.00006 0.00005 -0.00007 0.00005 0.00007 -0.00008 -0.00002 0.00003 0.00020 0.00033 0.00029 0.00003 0.00014 -0.00003 -0.00005 -0.00005 -0.00011 -0.00005 0.00006 0.00002 0.00005 0.00002 0.00004 0.00012 0.00014 -0.00003 -0.00002 -0.00003 -0.00004 -0.00003 -0.00004 0.00007 0.00005 0.00000 0.00007 0.00006 0.00011 0.00017 0.00017 0.00003 0.00013 0.00011 0.00009 0.00019 0.00017 0.00019 0.00006 0.00010 0.00024 0.00011 0.00016 -0.00021 -0.00010 -0.00032 -0.00034 -0.00037 -0.00040 0.00013 0.00016 0.00009 0.00005 0.00008 0.00001 0.00001 0.00004 -0.00004 -0.00001 0.00007 -0.00014 -0.00006 -0.00007 0.00001 -0.00004 -0.00025 -0.00028 0.00015 -0.00006 -0.00009 0.00018 -0.00003 -0.00006 0.00006 -0.00002 -0.00003 -0.00011 0.00002 -0.00006 0.00007 -0.00000 0.00002 -0.00005 0.00006 -0.00001 -0.00037 -0.00040 -0.00013 -0.00016 0.00006 -0.00014 0.00012 0.00002 -0.00018 0.00008 0.00006 -0.00006 0.00012 0.00001 0.00021 0.00010 -0.00006 0.00012 -0.00003 -0.00007 0.00011 -0.00004 -0.00002 0.00015 0.00001 0.00010 0.00013 0.00022 0.00011 0.00014 0.00023 -0.00002 0.00003 0.00003 -0.00009 -0.00004 -0.00004 0.00005 -0.00007 -0.00020 -0.00031 -0.00006 -0.00017 -0.00026 -0.00017 -0.00018 -0.00020 -0.00011 -0.00012 0.00007 0.00010 0.00010 0.00013 0.00005 0.00001 0.00009 -0.00002 -0.00006 0.00002 -0.00007 -0.00010 -0.00002 -0.00010 0.00012 -0.00000 -0.00001 0.00006 -0.00001 -0.00000 -0.00000 -0.00004 -0.00003 -0.00001 -0.00000 0.00022 0.00008 -0.00001 -0.00001 0.00002 -0.00007 0.00001 -0.00000 -0.00025 -0.00001 -0.00001 -0.00011 -0.00003 -0.00001 0.00001 0.00031 -0.00012 0.00002 -0.00000 -0.00024 -0.00001 0.00000 -0.00017 0.00005 -0.00001 -0.00001 -0.00012 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00004 0.00000 -0.00001 0.00012 -0.00000 -0.00000 0.00001 -0.00001 -0.00032 0.00002 -0.00058 0.00030 0.00025 0.00012 0.00006 -0.00003 0.00041 0.00024 0.00019 -0.00019 -0.00001 0.00001 -0.00005 0.00031 -0.00017 -0.00015 0.00001 0.00001 0.00004 0.00003 -0.00012 0.00003 -0.00002 0.00010 -0.00002 -0.00020 0.00038 -0.00026 -0.00003 0.00005 -0.00004 -0.00013 0.00004 0.00003 0.00004 0.00001 -0.00010 -0.00006 -0.00017 0.00019 -0.00004 0.00007 -0.00014 0.00008 0.00018 -0.00006 0.00000 -0.00000 0.00013 -0.00006 0.00036 0.00001 0.00028 -0.00029 -0.00001 -0.00003 -0.00018 0.00007 -0.00009 0.00009 0.00004 0.00004 0.00014 -0.00002 0.00001 -0.00001 -0.00032 0.00016 -0.00012 0.00005 -0.00006 -0.00011 0.00014 0.00016 0.00009 0.00018 0.00008 0.00001 -0.00012 -0.00014 0.00013 0.00018 -0.00012 -0.00010 0.00017 -0.00024 -0.00022 -0.00007 0.00021 -0.00006 0.00003 -0.00020 -0.00006 0.00005 0.00002 0.00001 0.00004 -0.00004 0.00049 0.00031 0.00004 0.00013 0.00003 -0.00013 -0.00007 -0.00017 0.00019 0.00072 0.00045 0.00057 -0.00009 -0.00009 0.00028 0.00028 -0.00071 -0.00071 0.00017 0.00019 0.00009 0.00011 0.00104 0.00106 -0.00008 -0.00022 -0.00005 -0.00010 -0.00024 -0.00008 0.00016 0.00032 0.00035 0.00030 0.00047 0.00050 0.00023 -0.00009 0.00031 0.00029 -0.00004 0.00037 -0.00103 -0.00060 -0.00065 -0.00072 -0.00084 -0.00091 0.00014 0.00015 0.00017 -0.00002 -0.00002 0.00000 -0.00024 -0.00024 -0.00021 -0.00016 -0.00008 -0.00030 -0.00022 -0.00005 0.00003 0.00000 -0.00022 -0.00018 0.00014 -0.00008 -0.00004 0.00024 0.00003 0.00006 0.00009 0.00001 0.00005 -0.00003 0.00005 -0.00003 0.00019 0.00018 0.00012 0.00011 0.00022 0.00021 0.00000 -0.00004 0.00024 0.00020 -0.00015 0.00042 -0.00045 -0.00024 0.00032 -0.00054 0.00005 -0.00006 0.00043 0.00032 0.00039 0.00027 0.00006 -0.00015 0.00063 -0.00031 -0.00051 0.00027 -0.00016 -0.00037 0.00042 -0.00015 -0.00012 -0.00014 -0.00008 -0.00005 -0.00007 0.00027 0.00021 0.00014 0.00019 0.00013 0.00006 0.00001 -0.00015 -0.00019 -0.00036 -0.00021 -0.00038 -0.00018 0.00008 -0.00010 -0.00017 0.00008 -0.00010 0.00018 0.00018 0.00012 0.00012 0.00011 0.00011 -0.00005 -0.00053 -0.00052 -0.00068 0.00016 0.00017 0.00001 3.52424 3.45991 1.86011 1.82310 3.35363 1.85994 1.82408 1.84730 1.85145 3.28760 1.82386 1.86752 3.43244 3.30097 1.86040 3.27180 3.32891 3.36104 1.86848 3.45438 3.49055 1.86465 1.82386 3.43304 3.36291 1.82328 1.86211 3.45114 3.26841 1.85005 1.85126 3.47218 1.86357 1.85210 3.41676 3.49179 1.86957 1.82382 3.43882 1.84803 1.85037 1.85605 1.84753 3.22143 3.44994 1.85598 1.85736 3.36029 1.82331 1.87452 1.84996 1.84474 1.42185 1.72480 2.17136 1.99078 2.21804 1.86192 1.82069 1.70442 1.91341 2.91952 1.93742 1.66747 1.83579 1.84743 2.08860 1.95146 1.86059 1.92793 1.78489 1.85099 2.05967 2.04231 1.74984 1.63560 2.02388 1.83354 1.58918 1.89749 2.08150 1.96527 1.46904 1.85604 2.10226 1.97327 1.74445 1.79323 1.81441 1.83625 1.68198 1.65135 1.65672 1.96541 1.45344 1.84945 2.37145 2.01421 1.77514 1.83903 1.82158 1.82018 1.91321 1.83412 1.63561 1.70901 1.80407 2.18868 2.16130 1.82997 1.50399 2.11313 1.95415 2.09566 1.91979 1.85831 1.79604 1.62111 1.81110 3.07081 3.06995 3.02838 3.20330 3.15968 3.02563 3.05184 2.99563 2.99865 3.20808 3.05069 3.04096 3.06586 3.09490 3.00974 3.09894 3.09417 2.97469 3.07930 2.97482 3.08788 3.07439 3.23937 3.12917 3.15425 3.36145 3.01978 3.03925 3.11781 3.14352 3.14856 3.10448 3.02798 3.05133 3.24192 3.12673 3.06555 3.37661 3.19737 3.10978 3.05263 3.38026 1.47853 -0.49720 -2.54419 1.46932 -0.36912 0.05193 -1.78651 -2.56263 1.88212 -2.30359 -0.41711 -0.63640 1.25008 1.76719 -2.62952 -2.35724 1.70231 -0.24746 2.14613 -0.07751 -2.02727 -0.49143 1.49030 -1.88399 1.37700 -2.92446 -0.01555 2.98341 -1.19166 0.91857 1.09947 -3.07559 -0.96536 -1.13326 0.83183 1.02816 -0.85377 -0.93648 -2.81841 0.26640 -1.92066 2.33900 2.37917 0.19211 -1.83142 -1.91107 2.18505 0.16153 2.25069 0.55297 0.18401 -1.51371 -1.78941 2.79606 -0.99774 1.21209 3.07986 3.05812 -1.01524 0.85253 1.14126 -2.93210 -1.06433 -1.35831 -3.14147 0.63009 -1.15307 2.33717 0.55401 -2.99740 1.64034 1.38881 -0.25664 -0.38254 -2.02799 2.40177 0.55159 0.51470 -1.33548 1.24160 2.97317 -0.57682 -0.58617 1.14541 -2.40458 2.17922 0.34058 -2.01051 2.43403 0.23563 -1.60301 -1.15481 -2.91202 0.71055 2.79173 1.03451 -1.62610 0.42565 -1.33157 2.29101 -0.44539 1.68397 -2.34742 1.37547 -2.77836 -0.52656 -1.20715 -3.10571 1.16317 0.48411 -1.41445 2.85443 0.30493 -1.69556 1.84783 -0.15266 -1.63500 2.64769 0.31273 -1.30614 2.68021 2.24718 0.62830 -1.66853 -1.99177 -0.17273 -0.07031 1.74873 -1.22411 2.91947 0.71005 -3.01440 1.12918 -1.08024 0.52033 -1.61928 2.45449 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000003 0.001183 0.000248 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.856945e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 1 2 2 3 4 4 4 6 6 8 9 10 10 10 11 12 12 12 14 14 14 15 17 17 17 19 20 20 21 23 23 23 25 26 26 26 29 29 32 32 32 33 35 35 37 38 38 41 41 5 30 43 45 6 10 12 5 8 27 7 9 17 29 11 13 24 35 13 22 42 15 16 36 20 18 19 31 35 21 22 38 24 25 43 26 27 28 34 30 31 33 34 40 41 36 37 38 39 40 42 44 1.865 1.8308 0.9843 0.9648 1.7746 0.9842 0.9653 0.9776 0.9798 1.7397 0.9651 0.9883 1.8163 1.7468 0.9845 1.7314 1.7616 1.7786 0.9888 1.828 1.8472 0.9867 0.9652 1.8167 1.7796 0.9648 0.9854 1.8261 1.7296 0.979 0.9796 1.8375 0.9862 0.9801 1.8082 1.8477 0.9893 0.9651 1.8198 0.9779 0.9792 0.9822 0.9777 1.7047 1.8256 0.9821 0.9829 1.7781 0.9649 0.992 0.979 0.9762 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 30 30 43 5 5 8 1 2 2 7 2 2 2 11 11 13 3 3 3 13 13 22 15 15 16 8 8 8 18 18 19 15 15 21 24 24 25 25 25 25 27 27 28 9 9 30 33 33 34 11 11 11 19 19 36 21 21 21 37 37 39 33 33 42 1 1 1 1 1 1 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 30 43 45 43 45 45 8 27 27 4 7 9 9 11 13 24 13 24 24 13 22 42 22 42 42 16 36 36 18 19 31 19 31 31 21 22 22 25 43 43 27 28 34 28 34 34 30 31 31 34 40 40 19 36 37 36 37 37 37 39 40 39 40 40 42 44 44 81.4845 98.8221 124.4427 114.0463 127.0701 106.6733 104.3147 97.6581 109.6073 167.2622 110.9953 95.5498 105.1831 105.8492 119.6711 111.7923 106.6136 110.4708 102.2659 106.0537 118.0082 117.0139 100.2648 93.7113 115.9606 105.0486 91.0541 108.7297 119.2393 112.6169 84.1715 106.3404 120.453 113.0675 99.9476 102.743 103.956 105.2089 96.3759 94.6187 94.9331 112.5989 83.2788 105.9618 135.882 115.401 101.6977 105.372 104.3684 104.2889 109.6113 105.0903 93.6928 97.9184 103.3496 125.4183 123.834 104.8515 86.1824 121.0696 111.97 120.0668 109.994 106.4713 102.8975 92.8837 103.7677 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 1 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 43 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 23 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 1 1 6 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 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 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 175.9447 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 175.9135 173.5041 183.5425 181.0337 173.3594 174.8639 171.6288 171.8007 183.8045 174.7815 174.2294 175.6599 177.3313 172.4531 177.5485 177.2727 170.4437 176.4365 170.4348 176.9366 176.1619 185.6061 179.2765 180.7286 192.595 173.0323 174.1398 178.6346 180.1093 180.3984 177.8715 173.4924 174.8001 185.731 179.1459 175.6356 193.4636 183.2036 178.1817 174.9127 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 30 43 45 5 5 30 30 45 45 5 5 43 43 45 45 5 5 5 27 27 27 5 5 5 8 8 8 7 7 7 9 9 9 8 27 2 2 7 7 2 2 2 11 11 11 24 24 24 2 2 11 11 13 13 2 2 2 13 13 13 24 24 24 3 3 13 13 42 42 3 3 13 13 22 22 16 16 36 36 15 15 15 16 16 16 8 8 18 18 19 19 8 8 8 18 18 18 31 31 31 15 15 15 22 22 22 24 24 24 43 43 43 25 25 27 27 28 28 33 33 33 34 34 34 34 34 40 40 11 11 11 19 19 19 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 4 4 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 5 5 5 23 23 23 23 23 23 29 29 29 29 29 29 17 17 17 17 17 17 26 26 26 26 26 26 10 10 10 10 10 10 5 5 29 29 29 29 12 12 12 12 12 12 12 12 12 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 20 20 20 20 20 20 41 41 41 41 41 41 20 20 20 20 35 35 35 35 35 35 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 26 26 26 26 26 26 32 32 32 32 32 32 38 38 38 38 38 38 41 41 41 41 38 38 38 38 38 38 38 38 4 4 4 24 25 24 25 24 25 9 31 9 31 9 31 18 19 31 18 19 31 25 28 34 25 28 34 11 13 24 11 13 24 1 1 30 31 30 31 3 22 42 3 22 42 3 22 42 25 43 25 43 25 43 19 36 37 19 36 37 19 36 37 15 21 15 21 15 21 33 44 33 44 33 44 21 22 21 22 11 19 37 11 19 37 9 30 9 30 9 30 11 36 37 11 36 37 11 36 37 37 39 40 37 39 40 27 28 34 27 28 34 33 40 33 40 33 40 21 37 39 21 37 39 42 44 42 44 21 39 40 21 39 40 21 39 84.6724 -28.5133 -145.8043 84.191 -21.144 2.9593 -102.3757 -146.7873 107.8778 -131.9954 -23.9095 -36.468 71.6179 101.1926 -150.7214 -135.0551 97.5475 -14.1751 122.9703 -4.4271 -116.1497 -28.166 85.3691 -107.9648 78.8792 -167.5857 -0.9196 170.9232 -68.2719 52.6127 62.9786 -176.2165 -55.3319 -64.8716 47.6946 58.9464 -48.8763 -53.6083 -161.4311 15.2553 -110.0542 134.0052 136.3175 11.008 -104.9326 -109.4828 125.2077 9.2672 128.9641 31.6875 10.5598 -86.7169 -102.5226 160.2008 -57.1664 69.4599 176.4729 175.2093 -58.1645 48.8486 65.3752 -167.9986 -60.9855 -77.8309 -179.9934 36.0982 -66.0642 133.9069 31.7445 -171.7492 93.9742 79.566 -14.7106 -21.9308 -116.2074 137.611 31.6058 29.4763 -76.5289 71.1467 170.3263 -33.0235 -33.5709 65.6087 -137.7411 124.8575 19.5172 -115.2184 139.4413 13.4785 -91.8617 -66.1688 -166.838 40.6755 159.9719 59.3028 -93.1838 24.397 -76.2722 131.2413 -25.5106 96.491 -134.4896 78.8129 -159.1855 -30.1661 -69.1801 -177.956 66.6367 27.7269 -81.0491 163.5437 17.4707 -97.1395 105.8838 -8.7263 -93.6667 151.7232 17.9284 -74.841 153.5704 128.7636 35.9942 -95.5944 -114.1303 -9.9072 -4.0349 100.1882 -70.1427 167.2667 40.6854 -172.6823 64.7271 -61.8541 29.8033 -92.7874 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0493329181 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.1356,1.06,1.8173;-.3256,2.0888,.1578;-1.255,2.0789,-3.2974;2.3582,-1.5802,2.4747;2.7586,-.7006,2.3469;-.5362,3.2622,1.3651;.0233,4.0048,1.1173;1.4439,-1.3763,2.7551;-.0375,2.8016,2.0839;-.1957,1.3148,-.4445;-.6297,.5665,.0219;-1.2016,1.1996,-2.9091;-.8754,1.3379,-1.9853;-3.7151,1.0116,.3225;-3.7261,.6463,-.5921;-3.1901,1.8153,.2496;-.1799,-.7037,3.1614;-.6854,-1.1011,3.877;-.7562,-.7417,2.3632;-3.5341,-.1341,-2.1582;-3.1079,-.9635,-1.8781;-2.7899,.3895,-2.5128;2.4134,.5669,-.7791;1.4816,.8582,-.6637;2.3831,-.3995,-.6268;2.2624,-2.1564,-.1363;2.2561,-2.0158,.8451;3.1119,-2.564,-.332;.8594,1.909,3.2278;1.6941,1.7204,2.7605;.4276,1.0362,3.2888;.426,-2.5882,-2.2031;.6341,-1.7858,-2.7271;1.0132,-2.519,-1.4286;-1.5957,-.6332,.9019;-2.4089,-.0847,.8427;-1.7145,-1.3374,.2229;-1.9904,-2.3122,-1.1684;-2.3173,-3.1961,-.9741;-1.0958,-2.4343,-1.587;1.1122,-.2432,-3.5219;.292,.2763,-3.413;2.9426,.9635,.8574;1.6855,.0824,-2.8153;4.0327,1.4026,1.8748; 0.000000 3.973918 0.000000 6.817261 3.578034 0.000000 2.829685 5.102220 7.730521 0.000000 1.876756 4.699497 7.462751 0.974881 0.000000 4.305362 1.696737 4.863781 5.749622 5.246277 0.000000 4.341509 2.171032 4.983254 6.203821 5.579873 0.962181 0.000000 3.110692 4.677998 7.473567 0.977854 1.533461 5.231476 5.801431 0.000000 3.629383 2.073877 5.564476 5.009198 4.489110 0.988740 1.544643 4.483193 0.000000 4.034629 0.989287 3.137639 4.840007 4.536752 2.680129 3.118208 4.490840 2.937406 0.000000 4.200477 1.558358 3.700829 4.421755 4.300184 3.013334 3.667211 3.942602 3.098101 0.982794 0.000000 6.416333 3.311233 0.962697 7.027423 6.849800 4.792373 5.057856 6.761400 5.371429 2.664473 3.052680 0.000000 5.533974 2.336446 1.553977 6.234011 6.010784 3.878587 4.188814 5.934354 4.404867 1.684182 2.164288 0.989464 0.000000 7.012052 3.560412 4.505005 6.945147 6.995646 4.032157 4.854540 6.183442 4.453288 3.614744 3.131857 4.098377 3.673671 0.000000 7.284130 3.769172 3.934162 7.168063 7.245893 4.566118 5.315939 6.482504 5.041033 3.596134 3.157713 3.471047 3.247369 0.984869 0.000000 6.560646 2.878984 4.049107 6.874909 6.790828 3.221997 3.984007 6.159334 3.778412 3.114216 2.857817 3.782969 3.252681 0.962785 1.536980 0.000000 3.988706 4.103812 7.114423 2.771643 3.049293 4.368351 5.137132 1.803943 3.669911 4.132497 3.416470 6.443441 5.580337 4.847646 5.337283 4.887277 0.000000 4.848975 4.913008 7.868220 3.385217 3.789798 5.036932 5.847116 2.422473 4.343471 4.975142 4.200688 7.184097 6.352233 5.126156 5.680831 5.285566 0.962026 0.000000 4.323177 3.614054 6.344091 3.227219 3.515041 4.132361 4.968862 2.323035 3.626205 3.525193 2.685008 5.636040 4.821658 3.999286 4.413714 4.114600 0.985194 1.557448 0.000000 7.855861 4.538705 3.374820 7.633728 7.759820 5.739059 6.365100 7.103756 6.232195 4.022536 3.698549 2.789830 3.043833 2.738503 1.760340 3.117087 6.314531 6.743431 5.341297 0.000000 7.531993 4.604631 3.834554 7.014635 7.234328 5.915144 6.592450 6.508084 6.269006 3.965674 3.477394 3.062021 3.208044 3.018627 2.151128 3.500771 5.834122 6.245659 4.854737 0.973611 0.000000 7.369568 4.011595 2.413636 7.433559 7.455948 5.326419 5.844864 6.985229 5.875728 3.444406 3.335074 1.826493 2.200652 3.046660 2.152159 3.134351 6.340671 6.890621 5.402929 0.976575 1.527913 0.000000 2.739706 3.270536 4.699468 3.898770 3.390865 4.534651 4.596619 4.148058 4.381536 2.734812 3.146779 4.243287 3.586920 6.242654 6.142900 5.832348 4.885481 5.836495 4.651178 6.145415 5.833946 5.487423 0.000000 2.988571 2.335613 3.989396 4.069833 3.622748 3.737221 3.898704 4.084346 3.692352 1.752115 2.238849 3.515381 2.744497 5.291664 5.212465 4.855350 4.453243 5.399287 4.090156 5.326815 5.084927 4.678082 0.983145 0.000000 2.944414 3.760854 5.148780 3.318674 3.012396 5.088993 5.292298 3.643187 4.842878 3.101990 3.229624 4.540469 3.934709 6.330899 6.198127 6.060802 4.583853 5.494690 4.348800 6.117866 5.659918 5.562304 0.978783 1.547836 0.000000 3.863214 4.980598 6.348377 2.675547 2.921031 6.280802 6.674318 3.104639 5.899205 4.264628 3.975335 5.563279 5.047249 6.780681 6.627581 6.756708 4.353203 5.090187 4.166650 6.463469 5.770325 6.136343 2.802238 3.158435 1.828108 0.000000 3.343530 4.897525 6.801075 1.689866 2.058613 5.993779 6.427138 2.171788 5.477447 4.332204 3.959006 6.032297 5.391194 6.715219 6.703664 6.685307 3.608480 4.322216 3.605816 6.788725 6.107017 6.520982 3.055058 3.337110 2.189769 0.991485 0.000000 4.213393 5.805573 7.029887 3.068059 3.282308 7.080491 7.401969 3.704412 6.674124 5.098850 4.891254 6.277900 5.818659 7.734440 7.558560 7.696198 5.147854 5.854484 5.054388 7.308099 6.605915 6.950551 3.238828 3.805143 2.302837 0.962322 1.555108 0.000000 2.809190 3.295614 6.861273 3.871506 3.345586 2.692233 3.089593 3.370180 1.705661 3.866754 3.781151 6.512469 5.523704 5.492884 6.100143 5.027538 2.812614 3.445075 3.222366 7.244671 7.075287 6.969958 4.502417 4.078558 4.744278 5.460178 4.799206 6.144361 0.000000 1.844946 3.314955 6.747143 3.378873 2.676807 3.049335 3.272701 3.106717 2.150569 3.742730 3.772437 6.387572 5.410288 5.975424 6.463092 5.492598 3.090091 3.856039 3.496188 7.413942 7.195722 7.048788 3.791741 3.537467 4.054902 4.872833 4.236033 5.470771 0.975003 0.000000 3.082076 3.388003 6.877255 3.352033 3.055697 3.095893 3.700207 2.671696 2.187328 3.795254 3.465735 6.410591 5.441040 5.095288 5.697939 4.788687 1.847369 2.480519 2.327911 6.836289 6.572321 6.665565 4.551072 4.094488 4.606194 5.029061 4.316299 5.768643 0.975630 1.533314 0.000000 6.067504 5.292788 5.079844 5.160538 5.450424 6.919986 7.392945 5.204667 6.902413 4.325871 4.002167 4.182670 4.141917 6.040413 5.504334 6.203478 5.718115 6.357258 5.065457 4.659058 3.903084 4.393695 3.991522 3.919411 3.332497 2.798255 3.601185 3.273509 7.064512 6.694005 6.580145 0.000000 5.916665 4.925044 4.339270 5.483889 5.606856 6.602899 6.977354 5.556744 6.681350 3.938601 3.832377 3.509276 3.547707 6.003410 5.429965 6.037609 6.042176 6.769325 5.379059 4.519407 3.924222 4.062166 3.534913 3.459252 3.064657 3.082313 3.929933 3.532954 7.011586 6.597764 6.648131 0.980676 0.000000 5.277188 5.053796 5.456877 4.233842 4.539520 6.605148 7.072590 4.358210 6.461398 4.138615 3.784580 4.574384 4.330401 6.155374 5.760204 6.266593 5.078059 5.748453 4.546121 5.186309 4.427797 4.909012 3.450351 3.494230 2.647947 1.833475 2.639591 2.368338 6.427449 5.998675 5.936024 0.974454 1.538665 0.000000 5.107797 3.094541 5.010511 4.359348 4.588298 4.063458 4.917176 3.636698 3.952574 2.750890 1.773899 4.247118 3.569212 2.744653 2.899582 2.993798 2.667394 3.146276 1.688844 3.656564 3.181801 3.759261 4.509880 3.760926 4.268694 4.275831 4.092817 5.235615 4.230813 4.451550 3.546590 4.189310 4.412428 3.974099 0.000000 5.744706 3.087661 4.811789 5.256016 5.417137 3.870679 4.766031 4.491059 3.936350 2.917862 2.064838 4.145298 3.517487 1.782873 2.080347 2.138231 3.275382 3.634637 2.339940 3.205308 2.943383 3.410229 5.129362 4.277183 5.022135 5.203070 5.048959 6.164948 4.510533 4.875529 3.909711 4.856119 4.989715 4.774494 0.982728 0.000000 5.640263 3.697643 4.926977 4.660058 4.992531 4.883662 5.688531 4.048282 4.838072 3.128362 2.200482 4.063165 3.568943 3.087153 2.940410 3.481092 3.375085 3.803564 2.419537 3.229349 2.548655 3.409262 4.655144 3.977634 4.288552 4.076181 4.075890 5.010631 5.117908 5.235238 4.429737 3.468715 3.797288 3.400575 0.985397 1.560704 0.000000 6.823577 4.888704 4.935061 5.719969 6.124349 6.293500 7.013135 5.297541 6.367273 4.110984 3.399290 3.998089 3.902981 4.030560 3.478181 4.526213 4.961104 5.350337 4.057383 2.847226 1.889851 3.121802 5.275808 4.728680 4.804038 4.378950 4.708989 5.176510 6.727997 6.728543 6.076658 2.643040 3.097454 3.021914 2.694613 3.030150 1.721098 0.000000 7.459167 5.760047 5.860981 6.030349 6.559048 7.096074 7.855248 5.600431 7.107785 5.012950 4.242261 4.930580 4.863932 4.619502 4.110304 5.231956 5.280409 5.530389 4.427052 3.501166 2.535091 3.930274 6.047924 5.564571 5.480388 4.770298 5.061438 5.503443 7.335422 7.362718 6.604499 3.066846 3.711099 3.428867 3.257036 3.604170 2.291460 0.962208 0.000000 6.457874 4.908834 4.829052 5.399737 5.773943 6.440456 7.073080 5.140369 6.481552 4.021418 3.436685 3.868380 3.799567 4.730910 4.171162 5.081204 5.136301 5.639280 4.311017 3.400326 2.509300 3.420645 4.687744 4.282080 4.143118 3.668676 4.162423 4.392839 6.772696 6.629191 6.175728 1.649024 2.170936 2.116691 3.112630 3.626125 2.204962 0.995149 1.564543 0.000000 5.856563 4.587548 3.323487 6.268914 6.112555 6.236036 6.383846 6.387040 6.482087 3.688956 4.030895 2.794694 2.968440 6.297345 5.725721 6.080363 6.822640 7.662321 6.194692 4.843443 4.585849 4.079762 3.142027 3.085286 3.165685 4.055325 4.849921 4.422755 7.088997 6.607812 6.963599 2.776539 1.799977 3.093731 5.201368 5.610105 4.817796 4.409685 5.193431 3.663353 0.000000 6.004673 4.051810 2.378142 6.510046 6.341564 5.694924 5.873471 6.488670 6.058184 3.182502 3.568206 1.826713 2.127959 5.527310 4.923336 5.282762 6.663782 7.483082 5.958172 4.047381 3.930912 3.212605 3.394461 3.051650 3.548605 4.531805 5.219499 5.050937 6.862020 6.493356 6.746137 3.112423 2.199929 3.503113 4.796694 5.053339 4.455320 4.116710 4.981307 3.550721 0.976965 0.000000 0.983798 3.526552 6.010490 3.070404 2.240890 4.200418 4.223690 3.364718 3.709888 3.415746 3.690057 5.605048 4.774752 6.679309 6.831726 6.221271 4.223467 5.151925 4.342318 7.228105 6.914056 6.674509 1.765116 2.111712 2.091302 3.344280 3.057408 3.726426 3.294264 2.398617 3.498852 5.321145 5.073091 4.590824 4.811124 5.453195 5.233050 6.258425 6.951411 5.816273 4.897455 5.072919 0.000000 4.951715 4.112139 3.586719 5.585789 5.330449 5.702936 5.797762 5.763280 5.862181 3.267834 3.693812 3.097090 2.970471 6.314750 5.877604 6.013978 6.310257 7.197864 5.784340 5.265215 4.994901 4.496093 2.216017 2.296320 2.347065 3.538680 4.257586 3.899362 6.366949 5.811480 6.304996 3.015507 2.145542 3.023623 5.009564 5.493061 4.775655 4.685971 5.491860 3.946957 0.966417 1.528645 3.980675 0.000000 0.962031 4.734288 7.427531 3.472882 2.503912 4.959085 4.839527 3.898547 4.308949 4.823518 5.086241 7.093981 6.244514 7.911457 8.176552 7.414846 4.882414 5.704184 5.269708 8.711046 8.406554 8.174662 3.219260 3.639823 3.496623 4.454805 3.987743 4.631524 3.486707 2.520861 3.889789 6.750101 6.549295 5.950451 6.063788 6.691165 6.577712 7.703108 8.341803 7.280634 6.353131 6.574360 1.554410 5.408270 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.5535,.5705,-1.1663;-.1763,-1.5005,-1.4783;2.9994,-.4476,-2.7468;-3.19,1.2941,1.545;-3.4719,1.1017,.6319;-1.0839,-2.9038,-1.7717;-1.3638,-2.8543,-2.6909;-2.8222,.4425,1.8545;-1.8861,-2.652,-1.2514;.2844,-.6737,-1.1903;.3203,-.7424,-.2106;2.7893,-.0835,-1.8807;1.8716,-.3938,-1.679;2.0716,-3.1645,.725;2.804,-2.5196,.5918;1.6767,-3.2571,-.1482;-2.1409,-1.2077,2.1127;-2.2877,-1.6481,2.9554;-1.1647,-1.18,1.9831;3.9394,-1.1869,.4091;3.5577,-.5566,1.0454;3.6452,-.8372,-.454;-1.0891,1.6306,-1.722;-.5987,.7954,-1.5534;-1.058,2.1039,-.8658;-1.1164,2.8194,.8154;-1.8582,2.2629,1.1663;-1.4782,3.7072,.7328;-3.2101,-2.0906,-.3343;-3.3889,-1.2106,-.7141;-2.859,-1.8908,.5537;1.6809,2.8614,.8749;1.8294,2.7783,-.0909;.711,2.8339,.9644;.4579,-1.0926,1.5229;.9667,-1.9174,1.3595;1.1301,-.4326,1.8119;2.4689,.6244,2.0412;2.6537,.8354,2.9616;2.2061,1.4812,1.6087;1.9059,2.5679,-1.8769;2.2983,1.6751,-1.9355;-2.7022,.9605,-1.468;.9625,2.4136,-2.0193;-4.2309,.9288,-1.748; 0.3225865 0.2469442 0.2060974 -19.12756 -19.12639 -19.12624 -19.12486 -19.12394 -19.12159 -19.12138 -19.11999 -19.11706 -19.11568 -19.11566 -19.11521 -19.11468 -19.11415 -19.11321 -1.03136 -1.02522 -1.02227 -1.02195 -1.01636 -1.01620 -1.01423 -1.01016 -1.00881 -1.00151 -0.99943 -0.99696 -0.99405 -0.99267 -0.98701 -0.54270 -0.54194 -0.53956 -0.53683 -0.53484 -0.53121 -0.52970 -0.52830 -0.52730 -0.52630 -0.52519 -0.52427 -0.52369 -0.52257 -0.52116 -0.45008 -0.43805 -0.43650 -0.42819 -0.41947 -0.41161 -0.40674 -0.40343 -0.39781 -0.39590 -0.39080 -0.38385 -0.38128 -0.37518 -0.36353 -0.32918 -0.32753 -0.32704 -0.32654 -0.32594 -0.32518 -0.32297 -0.32026 -0.31954 -0.31825 -0.31708 -0.31614 -0.31586 -0.31400 -0.31327 -0.00163 0.02777 0.03202 0.03966 0.05982 0.06134 0.06399 0.07764 0.08360 0.09731 0.10161 0.10606 0.10875 0.10989 0.11287 0.12178 0.12522 0.13703 0.13926 0.14321 0.14506 0.14683 0.15007 0.15201 0.15840 0.16193 0.16832 0.17544 0.18231 0.18634 0.18913 0.19437 0.19761 0.20291 0.20509 0.20703 0.21105 0.21368 0.21916 0.22106 0.22252 0.22812 0.23043 0.23523 0.24078 0.24241 0.24941 0.25167 0.25708 0.26034 0.26260 0.26691 0.26842 0.27675 0.27842 0.27942 0.28326 0.28833 0.28990 0.29316 0.29479 0.29658 0.30222 0.30370 0.30587 0.30770 0.31357 0.31708 0.32243 0.32847 0.33683 0.34820 0.35489 0.37096 0.37817 0.38861 0.41390 0.42713 0.44234 0.45071 0.45154 0.46113 0.46962 0.47235 0.49021 0.49377 0.49592 0.50910 0.51415 0.52071 0.52628 0.53597 0.54549 0.55160 0.55567 0.56011 0.56267 0.56655 0.57354 0.58504 0.59050 0.59481 0.60936 0.61279 0.61827 0.62869 0.63633 0.64624 0.64908 0.65587 0.66226 0.67088 0.67563 0.68104 0.69585 0.70544 0.70968 0.71595 0.73342 0.75661 0.95182 0.95726 0.96196 0.96538 0.96852 0.97411 0.98981 0.99251 1.00188 1.00822 1.01132 1.01598 1.02540 1.02865 1.03233 1.03578 1.04148 1.04472 1.05033 1.06002 1.06079 1.07025 1.07062 1.07766 1.08014 1.08637 1.08747 1.09768 1.10288 1.10517 1.11410 1.11533 1.12369 1.12663 1.13150 1.13636 1.14767 1.14890 1.15786 1.16347 1.17005 1.18290 1.20580 1.21652 1.23148 1.23581 1.24542 1.25520 1.26235 1.27147 1.27552 1.28533 1.29333 1.29647 1.30688 1.31858 1.33022 1.33112 1.33915 1.34508 1.35667 1.35758 1.36588 1.37857 1.37931 1.39189 1.40149 1.41225 1.42011 1.42538 1.43050 1.44531 1.45363 1.45681 1.46163 1.47916 1.48128 1.48683 1.49223 1.50007 1.50623 1.51979 1.52776 1.54405 1.54646 1.55254 1.56364 1.56875 1.58514 1.59577 1.59990 1.60490 1.61874 1.62514 1.63099 1.64359 1.65413 1.65611 1.66199 1.66912 1.67995 1.69544 1.70303 1.71786 1.72252 1.73336 1.74142 1.74557 1.74811 1.75742 1.77833 1.78912 1.79273 1.79776 1.80430 1.81632 1.83507 1.85338 1.86295 1.90492 2.03147 2.04077 2.04397 2.05033 2.05745 2.06155 2.06994 2.14376 2.21231 2.24017 2.27470 2.28713 2.29539 2.30110 2.32067 2.32660 2.33605 2.34036 2.35203 2.36832 2.37753 2.38067 2.41759 2.43552 2.44386 2.44983 2.46299 2.47467 2.50860 2.52403 2.56413 2.58444 2.60430 2.61655 2.63322 2.66017 2.66914 2.69645 2.70434 2.71230 2.71793 2.72060 2.72606 2.73256 2.74082 2.75322 2.76323 2.76876 2.78690 2.79473 2.80040 2.80587 2.82503 2.84903 2.85176 2.87883 2.88672 2.89260 2.91717 2.94462 3.07274 3.07616 3.08321 3.09073 3.09348 3.09980 3.10164 3.10652 3.10845 3.11690 3.12007 3.12629 3.13101 3.13357 3.13710 3.13866 3.14302 3.15237 3.15635 3.15953 3.16234 3.17076 3.17520 3.17966 3.18423 3.18960 3.20165 3.20327 3.21791 3.22493 3.29292 3.30667 3.31649 3.32213 3.32525 3.32880 3.33813 3.34598 3.34977 3.35594 3.36426 3.37130 3.37532 3.38341 3.41364 3.68081 3.69900 3.70033 3.71459 3.72464 3.73149 3.73785 3.74487 3.75531 3.75849 3.76682 3.77713 3.78870 3.80351 3.81351 3.90896 3.90998 3.92286 3.92565 3.93279 3.93823 3.94396 3.95007 3.95427 3.96418 3.96571 3.97002 3.98574 3.99858 4.02150 5.00907 5.01523 5.02172 5.02347 5.02631 5.03643 5.03992 5.04284 5.05041 5.05458 5.07397 5.10487 5.14739 5.15317 5.18793 5.38733 5.39515 5.39932 5.42134 5.42602 5.43875 5.45532 5.46011 5.47211 5.47651 5.50109 5.51657 5.52194 5.58247 5.60309 5.67475 5.67779 5.67835 5.68395 5.68639 5.68962 5.69343 5.70688 5.71336 5.72727 5.73678 5.75134 5.77021 5.78851 5.79409 49.89153 49.90165 49.90402 49.91374 49.91871 49.92135 49.92993 49.93915 49.94091 49.94372 49.95287 49.95976 49.98052 49.98270 50.00191 1-A. -4.8653 0.6423 -1.9527 5.2818 -126.0402 -128.2221 -81.3900 -10.1032 4.5535 9.1540 -14.1561 -16.3380 30.4941 -10.1032 4.5535 9.1540 -94.2267 61.1538 13.1982 -73.8063 43.3829 -59.0872 6.6475 -57.3897 -2.3127 56.9838 -3967.0893 -2676.0079 -1088.4753 -41.9664 152.1816 -195.2142 100.4491 45.9897 95.9408 -1206.8599 -626.8500 -653.3739 -2.3309 -33.0647 58.1425 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; 0.000000 3.963803 0.000000 6.838661 3.652427 0.000000 2.826727 4.919369 7.690057 0.000000 1.865005 4.527572 7.419685 0.977551 0.000000 4.237478 1.774634 4.965697 5.590499 5.065268 0.000000 4.248386 2.303950 5.106695 6.042716 5.394254 0.965147 0.000000 3.158119 4.457453 7.383274 0.979763 1.545689 5.077779 5.653705 0.000000 3.573656 2.113098 5.650811 4.833144 4.294959 0.988250 1.551696 4.323072 0.000000 4.078039 0.984245 3.216044 4.702892 4.422695 2.755875 3.242296 4.297812 2.985330 0.000000 4.371960 1.570738 3.748635 4.396258 4.309449 3.138816 3.824829 3.848688 3.215792 0.984485 0.000000 6.390002 3.358410 0.965266 6.960036 6.773122 4.903231 5.169665 6.656822 5.456556 2.705415 3.101449 0.000000 5.539152 2.377707 1.561163 6.170804 5.943974 3.977952 4.297195 5.829765 4.484299 1.731367 2.222956 0.988752 0.000000 7.649108 4.202738 4.676760 7.202730 7.356107 5.037161 5.857288 6.411976 5.402927 4.026146 3.410198 4.285963 3.972921 0.000000 7.700359 4.242222 4.038650 7.290608 7.441125 5.349813 6.097069 6.586301 5.762382 3.873949 3.334654 3.594169 3.462112 0.986738 0.000000 7.538909 3.849455 4.374251 7.434095 7.466716 4.471185 5.239215 6.652669 4.966954 3.856674 3.426033 4.157972 3.790989 0.965150 1.549097 0.000000 4.184037 3.930212 7.013349 2.791609 3.113811 4.344024 5.136740 1.816255 3.674072 3.944417 3.266797 6.347333 5.482782 5.071375 5.459111 5.293679 0.000000 5.021981 4.761984 7.792538 3.393024 3.835337 5.029698 5.858136 2.437550 4.356426 4.808193 4.065376 7.124994 6.286402 5.321350 5.813245 5.605841 0.964842 0.000000 4.562766 3.506634 6.274311 3.297603 3.624266 4.208982 5.061816 2.376195 3.736225 3.382849 2.559569 5.578371 4.765121 4.168456 4.505063 4.462793 0.985386 1.561049 0.000000 7.903664 4.741334 3.393937 7.512412 7.669587 6.206887 6.818379 6.987875 6.628143 4.071528 3.710006 2.801093 3.096170 2.757402 1.779593 3.198944 6.269184 6.757217 5.302700 0.000000 7.517209 4.747210 3.890850 6.851114 7.096856 6.307149 6.960099 6.357110 6.591310 3.974810 3.477628 3.114807 3.273881 3.030432 2.174237 3.632757 5.761599 6.238816 4.802008 0.978995 0.000000 7.363590 4.155374 2.435248 7.290357 7.332340 5.678012 6.191210 6.832739 6.159450 3.466808 3.324646 1.827977 2.227844 3.125980 2.212634 3.324020 6.239404 6.841789 5.318617 0.979644 1.542965 0.000000 2.773494 3.243671 4.684378 3.845088 3.361018 4.518721 4.597429 4.061575 4.367370 2.746325 3.241562 4.132024 3.518917 6.570244 6.277509 6.547863 4.852284 5.805702 4.660484 5.932292 5.566120 5.270239 0.000000 3.004044 2.314994 4.035714 3.919078 3.501418 3.750506 3.953216 3.891161 3.688542 1.761568 2.298992 3.465760 2.719680 5.629134 5.375291 5.573765 4.314606 5.270033 4.002286 5.179390 4.877115 4.526016 0.986164 0.000000 2.962370 3.788248 5.227648 3.281540 2.995383 5.130254 5.333912 3.590442 4.868583 3.175602 3.402043 4.540373 3.975952 6.662754 6.358335 6.777359 4.593990 5.504897 4.417928 5.952192 5.436858 5.409574 0.980086 1.562115 0.000000 3.885262 5.121842 6.584185 2.721898 2.964569 6.447895 6.812517 3.192861 6.030540 4.451486 4.291641 5.754388 5.267980 7.177697 6.893529 7.512187 4.516764 5.248882 4.419502 6.452924 5.709148 6.154257 2.824780 3.210705 1.847748 0.000000 3.370367 4.939259 6.935331 1.739742 2.106081 6.075347 6.485991 2.265088 5.534569 4.409161 4.167253 6.126140 5.509089 7.076810 6.928238 7.390258 3.757413 4.460725 3.830981 6.739821 6.007261 6.480226 3.041430 3.306451 2.169645 0.989338 0.000000 4.198807 5.948385 7.314240 3.136566 3.333965 7.213878 7.504293 3.804158 6.764379 5.305785 5.218417 6.511597 6.072043 8.137888 7.833917 8.468356 5.307066 6.004098 5.303070 7.314052 6.563478 6.994802 3.324840 3.906731 2.390863 0.965129 1.560583 0.000000 2.804383 3.293942 6.929336 3.602297 3.088214 2.730904 3.157507 3.129960 1.746758 3.861743 3.837963 6.552980 5.566957 6.265331 6.658445 6.047294 2.801460 3.417465 3.307277 7.481963 7.229840 7.119403 4.486760 4.038577 4.716905 5.467145 4.747946 6.104917 0.000000 1.830840 3.327194 6.815225 3.121164 2.412259 3.069128 3.314924 2.897559 2.167997 3.762820 3.870854 6.412664 5.448971 6.706485 6.974177 6.522215 3.129940 3.873069 3.616242 7.580565 7.278995 7.144258 3.788550 3.515734 4.023665 4.847912 4.162556 5.401097 0.977940 0.000000 3.134811 3.295519 6.862986 3.116113 2.854975 3.109545 3.738417 2.441272 2.217379 3.693395 3.428595 6.379972 5.410856 5.717689 6.127834 5.631687 1.826101 2.459987 2.390755 6.977441 6.646561 6.720637 4.486341 3.976021 4.547421 5.043123 4.282936 5.748938 0.979185 1.546102 0.000000 5.968328 5.346383 5.199287 5.139885 5.394959 7.060903 7.487817 5.205801 7.004445 4.388571 4.191643 4.285449 4.258325 6.199731 5.581664 6.655868 5.781488 6.472068 5.201556 4.527291 3.768996 4.303337 3.730076 3.747294 3.120252 2.795099 3.578879 3.324274 7.050284 6.625784 6.554763 0.000000 5.793438 4.953509 4.446108 5.448200 5.534324 6.690855 7.024623 5.523465 6.733887 3.993007 4.004172 3.589904 3.639775 6.166461 5.499189 6.500282 6.057408 6.830698 5.463299 4.365022 3.774837 3.944015 3.269163 3.295332 2.879897 3.135791 3.931821 3.651690 6.969976 6.510789 6.587852 0.982185 0.000000 5.189926 5.124308 5.599324 4.237346 4.504388 6.747258 7.166402 4.398126 6.567492 4.231550 4.026450 4.695228 4.472524 6.419398 5.924516 6.843409 5.195663 5.908524 4.748908 5.112977 4.338503 4.861937 3.216600 3.349744 2.436964 1.819811 2.622128 2.397909 6.416849 5.933295 5.927495 0.977668 1.547425 0.000000 5.420699 3.187163 5.001104 4.482967 4.755801 4.368328 5.220541 3.728938 4.274604 2.761857 1.778625 4.257908 3.605924 2.782006 2.893952 3.233416 2.709229 3.188954 1.729629 3.580819 3.112295 3.674993 4.594034 3.788723 4.422666 4.617271 4.380026 5.578351 4.480741 4.711611 3.736840 4.396715 4.575752 4.263970 0.000000 6.153178 3.346949 4.821346 5.414872 5.637365 4.394556 5.276191 4.624963 4.469790 3.041319 2.146954 4.182023 3.605834 1.816747 2.083310 2.314769 3.389956 3.743213 2.434173 3.170157 2.920668 3.368272 5.271480 4.387517 5.215402 5.546519 5.346721 6.510734 4.945522 5.295739 4.264641 5.039226 5.138883 5.043383 0.982141 0.000000 5.814005 3.775674 4.964445 4.678894 5.044200 5.164048 5.957495 4.046686 5.100806 3.130274 2.221896 4.117534 3.639493 3.082194 2.917524 3.690159 3.357393 3.816639 2.418832 3.151112 2.470454 3.342784 4.619261 3.910423 4.317500 4.303854 4.237494 5.248868 5.265286 5.370485 4.518231 3.652724 3.939740 3.643112 0.982875 1.557400 0.000000 6.852262 5.027033 5.094473 5.622577 6.053035 6.625908 7.318995 5.214024 6.642817 4.175677 3.504395 4.166590 4.072824 4.042723 3.492197 4.752596 4.936801 5.377335 4.077471 2.809527 1.837527 3.141774 5.098718 4.589208 4.661390 4.385516 4.669425 5.206920 6.833848 6.782937 6.126071 2.695176 3.150621 3.086618 2.751215 3.090284 1.778124 0.000000 7.546379 5.927479 6.001816 6.019805 6.567616 7.477054 8.202807 5.619944 7.441868 5.100667 4.378456 5.084284 5.031475 4.579913 4.081901 5.387174 5.362123 5.671348 4.548047 3.438458 2.477381 3.929424 5.901330 5.454168 5.366733 4.799537 5.071768 5.548107 7.506458 7.475579 6.733336 3.140995 3.774378 3.528197 3.375059 3.693460 2.410762 0.964856 0.000000 6.446720 5.022988 4.995893 5.319021 5.703177 6.706416 7.309331 5.074784 6.694708 4.094782 3.583181 4.035522 3.969822 4.797666 4.203325 5.403479 5.131537 5.683871 4.364818 3.306554 2.392557 3.392373 4.491918 4.137163 3.984393 3.670572 4.121070 4.430100 6.830450 6.637905 6.188961 1.704706 2.234871 2.174774 3.227931 3.730384 2.313412 0.991955 1.567693 0.000000 5.667333 4.546061 3.395803 6.198672 5.997320 6.188231 6.300365 6.293699 6.411372 3.711427 4.149544 2.814893 2.987815 6.491630 5.811163 6.569752 6.759328 7.637060 6.198261 4.706623 4.469154 3.957874 2.895333 2.955215 3.059844 4.168069 4.876213 4.611182 6.976651 6.465558 6.829238 2.802185 1.825606 3.115762 5.300963 5.715422 4.910316 4.487286 5.274091 3.753777 0.000000 5.878246 4.045629 2.442098 6.449126 6.247264 5.703456 5.855921 6.400186 6.045632 3.223133 3.682950 1.847249 2.150910 5.727465 5.024547 5.749416 6.600418 7.458990 5.953557 3.947558 3.863907 3.116115 3.197121 2.951954 3.489736 4.685186 5.280454 5.264827 6.810690 6.416738 6.656420 3.176489 2.255882 3.573481 4.882050 5.150388 4.549620 4.238194 5.097251 3.683205 0.978950 0.000000 0.984331 3.537808 6.037951 3.072756 2.238358 4.162702 4.164578 3.391808 3.684313 3.485015 3.885803 5.575310 4.782863 7.269128 7.206026 7.172160 4.374238 5.288702 4.548201 7.234047 6.861592 6.638971 1.808160 2.153603 2.124950 3.388489 3.097618 3.753554 3.306330 2.406148 3.532050 5.200746 4.931845 4.485343 5.102256 5.827273 5.389190 6.266554 7.008014 5.788260 4.699204 4.939061 0.000000 4.714778 4.013086 3.675683 5.444948 5.152547 5.578581 5.652954 5.591684 5.711083 3.247949 3.765576 3.107775 2.968973 6.529552 5.969113 6.558932 6.171481 7.086887 5.716774 5.116114 4.835152 4.361968 1.945661 2.142147 2.224937 3.607505 4.225450 4.054374 6.176925 5.601399 6.089906 2.971054 2.113080 2.971426 5.059388 5.568788 4.798811 4.679819 5.498151 3.952487 0.976196 1.538234 3.740074 0.000000 0.964750 4.745717 7.458116 3.504371 2.538552 4.881018 4.731120 3.972566 4.247205 4.892407 5.272145 7.069046 6.256671 8.568729 8.603498 8.422438 5.090829 5.890662 5.514967 8.752743 8.381608 8.166150 3.298805 3.702291 3.536899 4.452637 4.004231 4.586802 3.497252 2.532220 3.957808 6.623420 6.404182 5.832743 6.378851 7.104178 6.751758 7.720021 8.411290 7.254665 6.148711 6.438086 1.563514 5.174831 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6528,.6195,-1.0269;-.3315,-1.4865,-1.5224;2.8274,-.3688,-2.9757;-3.1128,.9408,1.7291;-3.4371,.8375,.8127;-1.3881,-2.8179,-2.0327;-1.7341,-2.664,-2.9205;-2.6732,.0881,1.9281;-2.131,-2.5897,-1.4222;.1921,-.7321,-1.1684;.3518,-.9377,-.2189;2.6146,.0128,-2.115;1.7349,-.3601,-1.8605;2.7628,-3.1214,.8046;3.2875,-2.335,.5218;2.5294,-3.5748,-.0148;-1.8807,-1.5382,2.0892;-2.0098,-2.0473,2.8986;-.9079,-1.5024,1.9365;4.0369,-.7594,.1712;3.5828,-.2042,.8375;3.6162,-.5037,-.6757;-1.1219,1.6591,-1.481;-.6694,.7957,-1.3316;-1.1233,2.1032,-.6073;-1.2519,2.8216,1.0902;-1.9104,2.1579,1.4138;-1.7067,3.6728,1.0992;-3.3192,-2.0567,-.2581;-3.4984,-1.1443,-.5611;-2.8274,-1.9419,.5808;1.5255,2.9536,.8057;1.6204,2.8599,-.1674;.5612,2.9067,.9598;.7484,-1.3223,1.4717;1.3746,-2.0591,1.2995;1.3157,-.569,1.7487;2.5001,.7357,1.9868;2.7966,.963,2.8764;2.166,1.5757,1.5784;1.5639,2.6205,-1.9764;2.0137,1.7595,-2.097;-2.8102,1.0303,-1.3274;.6159,2.3879,-1.9655;-4.3584,1.0245,-1.5453; 0.3157614 0.2372229 0.2011520 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= 525 525 525 525 525 MxSgAt= 45 MxSgA2= 45. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 9.16D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 525 523 524 525 525 MxSgAt= 45 MxSgA2= 45. 1 -1.91415995e+00 2.52682353e-01 -7.68265132e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 -0.001616326 -0.000768867 0.002955356 -0.000037686 -0.000851225 -0.000504704 -0.000381980 0.002335925 -0.001687684 0.000995206 -0.002148388 0.000890637 0.001176992 0.003107276 -0.000219466 -0.002581625 0.000741088 0.000076326 0.001108860 0.003221693 -0.000837680 -0.002639532 0.000892311 0.001264799 0.000767150 -0.000575681 0.001271055 0.000977006 0.000118057 -0.000681500 -0.000496331 -0.000879798 0.000810662 -0.001148404 -0.001944429 -0.001659932 0.001046553 0.000382856 0.001825237 -0.002046856 -0.000549081 0.001987543 -0.000101689 -0.000924326 -0.001571001 0.001158527 0.003332039 0.000409330 0.002723167 0.001148552 0.000719430 -0.001293322 -0.001101631 0.002311126 -0.001414238 0.000056706 -0.001833621 -0.003364697 0.000075128 -0.000534868 0.001783553 -0.003067708 0.001337851 0.002437676 0.001762912 -0.001312839 0.001208521 0.000661226 -0.001680848 -0.002125604 0.000953239 -0.000255606 -0.000063320 -0.002204307 -0.000144502 -0.002183040 0.000526044 -0.001579778 0.000253929 -0.000304652 0.000135454 0.002528159 -0.001737701 -0.000735565 -0.000652620 0.002117446 0.001735506 0.003108249 -0.001044743 -0.001387831 -0.001369186 -0.003258562 0.000442969 -0.000494311 -0.001835471 -0.001514707 0.000539637 0.001375822 -0.001503539 0.002551622 0.000250397 0.002538053 0.000520020 -0.000437592 0.000839455 -0.000282704 -0.000078219 0.000164282 -0.000577791 0.000007455 -0.000540265 -0.001626629 0.001493392 -0.000536195 -0.001248801 -0.002557934 0.000308797 -0.000146607 -0.000378761 -0.000209341 0.000468638 -0.002345971 -0.002561573 -0.002860760 0.001943025 0.000054730 -0.000095629 -0.000160980 -0.002685911 0.002846709 0.001347883 0.003552634 0.002649515 0.001305554 0.000547726 0.003552634 0.001581807 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1147.22807258553 -1147.22807317899 -0.000000593457 -1147.22807317923 -0.000000000241 -1147.22807318596 -0.000000006727 -1147.22807318616 -0.000000000201 -1147.22807319 5 1.143316459873e+03 -5.596020552591e+03 1.863005987646e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT51190.300S Thu Jul 18 23:03:00 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.753840 0.486702 0.336227 -0.743039 0.362216 -0.779230 0.322378 0.395331 0.429902 -0.899026 0.443468 -0.778501 0.439444 -0.719695 0.414160 0.314281 -0.773671 0.342947 0.432335 -0.745843 0.365991 0.383630 -0.815631 0.425251 0.415113 -0.806017 0.447995 0.326127 -0.712534 0.360100 0.366890 -0.790890 0.406479 0.396400 -0.865740 0.414398 0.436412 -0.803214 0.342549 0.444825 -0.736237 0.395190 0.402919 0.330098 0.343350 -0.00000 -19.13018 -19.12908 -19.12807 -19.12748 -19.12683 -19.12180 -19.12159 -19.12052 -19.11851 -19.11708 -19.11522 -19.11511 -19.11401 -19.11394 -19.11233 -1.02982 -1.02409 -1.02173 -1.02012 -1.01612 -1.01396 -1.01277 -1.00953 -1.00639 -1.00049 -0.99840 -0.99540 -0.99368 -0.99201 -0.98808 -0.54281 -0.54205 -0.54190 -0.53823 -0.53712 -0.53148 -0.53126 -0.52992 -0.52894 -0.52772 -0.52576 -0.52281 -0.52132 -0.52102 -0.51939 -0.45067 -0.43754 -0.43394 -0.42754 -0.41546 -0.40770 -0.40394 -0.40170 -0.39781 -0.39299 -0.38873 -0.38323 -0.37970 -0.37440 -0.36305 -0.33102 -0.32931 -0.32848 -0.32756 -0.32747 -0.32641 -0.32354 -0.32148 -0.31883 -0.31846 -0.31774 -0.31619 -0.31437 -0.31379 -0.31301 -0.00233 0.02595 0.03262 0.03891 0.05831 0.05921 0.06232 0.07745 0.08312 0.09769 0.10151 0.10369 0.10705 0.11001 0.11095 0.12256 0.12378 0.13341 0.13710 0.13903 0.14369 0.14482 0.15120 0.15196 0.15580 0.16330 0.16862 0.17371 0.17573 0.18264 0.18688 0.18997 0.19515 0.19851 0.19996 0.20411 0.21202 0.21415 0.21612 0.22128 0.22458 0.23039 0.23112 0.23536 0.23744 0.23873 0.24225 0.24984 0.25120 0.25708 0.25867 0.26296 0.26678 0.26940 0.27367 0.27591 0.28047 0.28394 0.28524 0.28713 0.29060 0.29238 0.29461 0.29873 0.29978 0.30335 0.30613 0.31033 0.31171 0.31585 0.32789 0.34408 0.35017 0.35791 0.36429 0.36871 0.40542 0.41476 0.41959 0.43660 0.44539 0.45253 0.45992 0.47806 0.48404 0.49180 0.50269 0.51316 0.51759 0.52562 0.53045 0.53364 0.53605 0.54499 0.55563 0.55707 0.56385 0.56805 0.57795 0.58374 0.58779 0.59607 0.60474 0.61508 0.61754 0.62669 0.62800 0.63326 0.64038 0.64547 0.65074 0.66151 0.66776 0.68372 0.68801 0.69379 0.70736 0.71303 0.73603 0.74733 0.94926 0.95952 0.96898 0.97126 0.97676 0.98332 0.98527 0.99624 1.00476 1.00775 1.01330 1.01950 1.02094 1.03322 1.03739 1.04183 1.04808 1.05139 1.05590 1.05842 1.06272 1.06783 1.07101 1.07598 1.08228 1.08980 1.09002 1.09203 1.09725 1.10093 1.10296 1.10845 1.11283 1.11717 1.12308 1.12880 1.13532 1.14206 1.14982 1.15691 1.16319 1.19018 1.19824 1.20225 1.22800 1.24160 1.25674 1.26374 1.26912 1.27953 1.28537 1.29319 1.29626 1.31008 1.31158 1.31327 1.32266 1.33372 1.33746 1.34037 1.35270 1.36079 1.36775 1.36966 1.38389 1.38599 1.39586 1.41442 1.41795 1.42192 1.42831 1.43458 1.43842 1.44829 1.45531 1.45850 1.47515 1.47858 1.49253 1.50029 1.50141 1.51368 1.52060 1.53174 1.55312 1.55914 1.56524 1.56765 1.57925 1.58832 1.60030 1.60429 1.60931 1.61503 1.62961 1.64043 1.64812 1.65240 1.65426 1.66620 1.68902 1.69659 1.70074 1.70851 1.72064 1.72939 1.73327 1.74765 1.75193 1.76901 1.77543 1.78798 1.79067 1.79642 1.80602 1.81614 1.82685 1.84296 1.86307 1.89540 2.03138 2.03592 2.03909 2.04189 2.05096 2.05608 2.05829 2.16225 2.21240 2.23330 2.25533 2.26358 2.29607 2.29770 2.31348 2.32821 2.34367 2.34517 2.35650 2.36305 2.36542 2.39086 2.40149 2.40927 2.41913 2.42670 2.44270 2.45130 2.47550 2.48670 2.54386 2.57907 2.58185 2.58818 2.60503 2.61123 2.62609 2.68159 2.68251 2.70186 2.70629 2.71341 2.71711 2.73387 2.74567 2.74873 2.75010 2.75856 2.76433 2.78521 2.79343 2.80268 2.81857 2.83437 2.83906 2.85548 2.86709 2.87768 2.90589 2.93411 3.06973 3.07141 3.07938 3.08654 3.09102 3.09506 3.09853 3.10045 3.10426 3.11240 3.11695 3.12044 3.12613 3.12897 3.13392 3.13679 3.13808 3.14553 3.15184 3.15540 3.16016 3.16361 3.16505 3.16969 3.17223 3.18472 3.18928 3.19235 3.20041 3.21827 3.29820 3.29983 3.31382 3.31432 3.31653 3.31768 3.32479 3.33776 3.34019 3.35680 3.36255 3.36530 3.37147 3.37746 3.39602 3.69539 3.70544 3.71018 3.71524 3.72419 3.72614 3.73391 3.73909 3.74470 3.75323 3.75802 3.77203 3.77536 3.79525 3.82413 3.90435 3.91092 3.91474 3.92302 3.92491 3.93254 3.93523 3.94102 3.94752 3.94963 3.95556 3.96286 3.97282 3.98895 4.00697 5.00221 5.01195 5.02277 5.02446 5.02615 5.03232 5.03519 5.03921 5.04819 5.05613 5.06001 5.08250 5.12161 5.18364 5.21353 5.37057 5.37238 5.38889 5.41267 5.42106 5.42875 5.44782 5.45113 5.46544 5.47560 5.49657 5.50478 5.52289 5.57673 5.58259 5.66074 5.66199 5.66984 5.67254 5.67360 5.67799 5.68444 5.69768 5.70744 5.73620 5.74054 5.75897 5.78768 5.79818 5.81131 49.88016 49.88764 49.89867 49.90513 49.91320 49.91510 49.92100 49.92949 49.93475 49.94042 49.95060 49.96002 49.96910 49.97792 49.98867 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.753598 0.464891 0.335789 -0.754484 0.363550 -0.757363 0.318163 0.404177 0.410626 -0.865988 0.435598 -0.747472 0.407075 -0.719259 0.402251 0.307737 -0.772859 0.346140 0.427670 -0.777444 0.382490 0.398858 -0.832518 0.440621 0.421332 -0.800326 0.436170 0.332302 -0.729769 0.369602 0.373977 -0.787743 0.392315 0.405170 -0.843227 0.425568 0.413638 -0.788017 0.345096 0.432671 -0.771213 0.390675 0.395404 0.367551 0.354174 -0.00000 -2.01364630e+00 -1.96898230e-01 -6.10590694e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.1182 -0.5005 -1.5520 5.3717 -124.1012 -122.5147 -84.1962 -16.4561 5.4830 9.8246 -13.8305 -12.2440 26.0745 -16.4561 5.4830 9.8246 -111.9087 18.2154 -2.7271 -63.4165 59.1974 -64.6521 10.3054 -53.1032 20.4289 60.0755 -4129.2013 -2582.0830 -1155.7092 -105.1056 183.3889 -293.1560 105.9206 67.7107 97.2623 -1151.5843 -667.0558 -679.5191 45.2871 -83.2332 71.6794 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1147.2280732 7.146E-9 8.041E-6 2.936702,15.4688353,-18.4055373,3.3150372,-1.2761698,-13.9967537 C01 [X(H30O15)] 1.4937933 0.9019474 1.192239 -0.000011267 0.000020422 -0.000002680 -0.000007940 0.000004776 0.000001301 -0.000002546 0.000001709 0.000000659 -0.000009875 -0.000013921 -0.000006732 -0.000003407 0.000020677 0.000018113 -0.000010008 -0.000002463 -0.000007064 0.000004381 0.000001301 0.000003101 0.000014928 -0.000006203 0.000003067 -0.000001329 0.000003619 -0.000001329 0.000013014 -0.000001392 0.000015439 0.000002920 0.000006835 -0.000015538 0.000005917 -0.000015427 0.000004178 -0.000014286 0.000003610 0.000000576 -0.000000973 0.000003606 -0.000002521 -0.000001336 -0.000001857 0.000002986 -0.000000858 -0.000001835 0.000003514 -0.000002095 -0.000000540 0.000011341 0.000001853 0.000005121 0.000002589 -0.000003649 0.000001355 -0.000009977 -0.000002338 -0.000003309 0.000008856 -0.000002622 -0.000001389 0.000002274 0.000004416 0.000004120 -0.000004204 -0.000009218 0.000007259 -0.000005505 0.000011047 -0.000005855 -0.000004927 -0.000002287 -0.000002815 0.000009093 -0.000004446 -0.000005817 -0.000003053 0.000015055 0.000015616 -0.000019722 0.000001852 -0.000002592 0.000003727 0.000006573 -0.000001395 -0.000003870 -0.000000198 -0.000012753 0.000004456 -0.000004510 0.000012247 -0.000000198 -0.000004775 0.000011881 0.000000973 -0.000003653 -0.000020668 0.000005436 -0.000001222 0.000001002 -0.000004966 0.000006695 -0.000010031 0.000003329 0.000000992 -0.000002594 0.000010215 -0.000002768 0.000000409 -0.000008111 -0.000006474 0.000000412 0.000005421 0.000000726 -0.000002052 -0.000000531 0.000016645 -0.000004955 -0.000002133 0.000005259 0.000005915 0.000021418 -0.000008662 0.000007833 -0.000007137 0.000006944 -0.000001102 -0.000002589 -0.000005065 -0.000002167 -0.000018204 0.000008587 -0.000016593 -0.000011070 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; Gaussian 16 GINC-GRINYON LAMSABHI Optimization 15-agua/ CONF67 water EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p)Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; Optimization 15-agua/ CONF67 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF67/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 1 2 2 3 4 4 4 6 6 8 9 10 10 10 11 12 12 12 14 14 14 15 17 17 17 19 20 20 21 23 23 23 25 26 26 26 29 29 32 32 32 33 35 35 37 38 38 41 41 5 30 43 45 6 10 12 5 8 27 7 9 17 29 11 13 24 35 13 22 42 15 16 36 20 18 19 31 35 21 22 38 24 25 43 26 27 28 34 30 31 33 34 40 41 36 37 38 39 40 42 44 1.865 1.8308 0.9843 0.9648 1.7746 0.9842 0.9653 0.9776 0.9798 1.7397 0.9651 0.9883 1.8163 1.7468 0.9845 1.7314 1.7616 1.7786 0.9888 1.828 1.8472 0.9867 0.9652 1.8167 1.7796 0.9648 0.9854 1.8261 1.7296 0.979 0.9796 1.8375 0.9862 0.9801 1.8082 1.8477 0.9893 0.9651 1.8198 0.9779 0.9792 0.9822 0.9777 1.7047 1.8256 0.9821 0.9829 1.7781 0.9649 0.992 0.979 0.9762 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 30 30 43 5 5 8 1 2 2 7 2 2 2 11 11 13 3 3 3 13 13 22 15 15 16 8 8 8 18 18 19 15 15 21 24 24 25 25 25 25 27 27 28 9 9 30 33 33 34 11 11 11 19 19 36 21 21 21 37 37 39 33 33 42 1 1 1 1 1 1 4 4 4 5 6 6 6 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 17 17 17 17 17 17 20 20 20 23 23 23 26 26 26 26 26 26 29 29 29 32 32 32 35 35 35 35 35 35 38 38 38 38 38 38 41 41 41 30 43 45 43 45 45 8 27 27 4 7 9 9 11 13 24 13 24 24 13 22 42 22 42 42 16 36 36 18 19 31 19 31 31 21 22 22 25 43 43 27 28 34 28 34 34 30 31 31 34 40 40 19 36 37 36 37 37 37 39 40 39 40 40 42 44 44 81.4845 98.8221 124.4427 114.0463 127.0701 106.6733 104.3147 97.6581 109.6073 167.2622 110.9953 95.5498 105.1831 105.8492 119.6711 111.7923 106.6136 110.4708 102.2659 106.0537 118.0082 117.0139 100.2648 93.7113 115.9606 105.0486 91.0541 108.7297 119.2393 112.6169 84.1715 106.3404 120.453 113.0675 99.9476 102.743 103.956 105.2089 96.3759 94.6187 94.9331 112.5989 83.2788 105.9618 135.882 115.401 101.6977 105.372 104.3684 104.2889 109.6113 105.0903 93.6928 97.9184 103.3496 125.4183 123.834 104.8515 86.1824 121.0696 111.97 120.0668 109.994 106.4713 102.8975 92.8837 103.7677 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 1 6 4 6 10 10 14 17 20 12 10 23 4 1 17 32 26 14 35 32 12 1 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 43 2 8 9 11 13 15 19 21 22 24 25 27 30 31 33 34 36 37 40 42 43 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 23 10 17 29 35 12 20 35 38 20 23 26 26 29 29 41 32 35 38 38 41 23 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 1 1 6 1 3 11 1 14 1 6 2 4 4 1 2 2 2 1 2 2 3 1 1 6 -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 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 175.9447 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 175.9135 173.5041 183.5425 181.0337 173.3594 174.8639 171.6288 171.8007 183.8045 174.7815 174.2294 175.6599 177.3313 172.4531 177.5485 177.2727 170.4437 176.4365 170.4348 176.9366 176.1619 185.6061 179.2765 180.7286 192.595 173.0323 174.1398 178.6346 180.1093 180.3984 177.8715 173.4924 174.8001 185.731 179.1459 175.6356 193.4636 183.2036 178.1817 174.9127 193.664 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 30 43 45 5 5 30 30 45 45 5 5 43 43 45 45 5 5 5 27 27 27 5 5 5 8 8 8 7 7 7 9 9 9 8 27 2 2 7 7 2 2 2 11 11 11 24 24 24 2 2 11 11 13 13 2 2 2 13 13 13 24 24 24 3 3 13 13 42 42 3 3 13 13 22 22 16 16 36 36 15 15 15 16 16 16 8 8 18 18 19 19 8 8 8 18 18 18 31 31 31 15 15 15 22 22 22 24 24 24 43 43 43 25 25 27 27 28 28 33 33 33 34 34 34 34 34 40 40 11 11 11 19 19 19 36 36 36 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 6 6 6 4 4 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 32 35 35 35 35 35 35 35 35 35 5 5 5 23 23 23 23 23 23 29 29 29 29 29 29 17 17 17 17 17 17 26 26 26 26 26 26 10 10 10 10 10 10 5 5 29 29 29 29 12 12 12 12 12 12 12 12 12 23 23 23 23 23 23 35 35 35 35 35 35 35 35 35 20 20 20 20 20 20 41 41 41 41 41 41 20 20 20 20 35 35 35 35 35 35 29 29 29 29 29 29 35 35 35 35 35 35 35 35 35 38 38 38 38 38 38 26 26 26 26 26 26 32 32 32 32 32 32 38 38 38 38 38 38 41 41 41 41 38 38 38 38 38 38 38 38 38 4 4 4 24 25 24 25 24 25 9 31 9 31 9 31 18 19 31 18 19 31 25 28 34 25 28 34 11 13 24 11 13 24 1 1 30 31 30 31 3 22 42 3 22 42 3 22 42 25 43 25 43 25 43 19 36 37 19 36 37 19 36 37 15 21 15 21 15 21 33 44 33 44 33 44 21 22 21 22 11 19 37 11 19 37 9 30 9 30 9 30 11 36 37 11 36 37 11 36 37 37 39 40 37 39 40 27 28 34 27 28 34 33 40 33 40 33 40 21 37 39 21 37 39 42 44 42 44 21 39 40 21 39 40 21 39 40 84.6724 -28.5133 -145.8043 84.191 -21.144 2.9593 -102.3757 -146.7873 107.8778 -131.9954 -23.9095 -36.468 71.6179 101.1926 -150.7214 -135.0551 97.5475 -14.1751 122.9703 -4.4271 -116.1497 -28.166 85.3691 -107.9648 78.8792 -167.5857 -0.9196 170.9232 -68.2719 52.6127 62.9786 -176.2165 -55.3319 -64.8716 47.6946 58.9464 -48.8763 -53.6083 -161.4311 15.2553 -110.0542 134.0052 136.3175 11.008 -104.9326 -109.4828 125.2077 9.2672 128.9641 31.6875 10.5598 -86.7169 -102.5226 160.2008 -57.1664 69.4599 176.4729 175.2093 -58.1645 48.8486 65.3752 -167.9986 -60.9855 -77.8309 -179.9934 36.0982 -66.0642 133.9069 31.7445 -171.7492 93.9742 79.566 -14.7106 -21.9308 -116.2074 137.611 31.6058 29.4763 -76.5289 71.1467 170.3263 -33.0235 -33.5709 65.6087 -137.7411 124.8575 19.5172 -115.2184 139.4413 13.4785 -91.8617 -66.1688 -166.838 40.6755 159.9719 59.3028 -93.1838 24.397 -76.2722 131.2413 -25.5106 96.491 -134.4896 78.8129 -159.1855 -30.1661 -69.1801 -177.956 66.6367 27.7269 -81.0491 163.5437 17.4707 -97.1395 105.8838 -8.7263 -93.6667 151.7232 17.9284 -74.841 153.5704 128.7636 35.9942 -95.5944 -114.1303 -9.9072 -4.0349 100.1882 -70.1427 167.2667 40.6854 -172.6823 64.7271 -61.8541 29.8033 -92.7874 140.6314 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00022 0.00039 0.00046 0.00069 0.00082 0.00097 0.00100 0.00104 0.00112 0.00127 0.00145 0.00164 0.00182 0.00206 0.00226 0.00252 0.00275 0.00302 0.00316 0.00354 0.00379 0.00382 0.00416 0.00437 0.00457 0.00473 0.00502 0.00523 0.00566 0.00586 0.00618 0.00642 0.00655 0.00673 0.00683 0.00721 0.00747 0.00770 0.00791 0.00808 0.00833 0.00872 0.00891 0.00923 0.00936 0.00954 0.00965 0.01008 0.01022 0.01039 0.01051 0.01076 0.01104 0.01111 0.01153 0.01168 0.01209 0.01216 0.01251 0.01271 0.01296 0.01308 0.01339 0.01378 0.01412 0.01436 0.01457 0.01475 0.01490 0.01532 0.01586 0.01606 0.01630 0.01688 0.01733 0.01786 0.01904 0.01926 0.02020 0.02114 0.02202 0.02549 0.02792 0.03564 0.03666 0.03820 0.04168 0.04269 0.04463 0.04505 0.04643 0.04971 0.05102 0.05216 0.05274 0.05285 0.05414 0.06773 0.07766 0.31786 0.33867 0.35234 0.37097 0.38101 0.39623 0.40205 0.41272 0.41969 0.42635 0.42861 0.43248 0.43395 0.43656 0.44787 0.45068 0.45787 0.45841 0.46226 0.46690 0.46968 0.47182 0.47804 0.52640 0.52640 0.52642 0.52729 0.52805 0.52818 0.52821 Angle between quadratic step and forces= 70.69 degrees. 1 2 3 0.00193301 0.00001559 0.00000000 0.00001999 0.00000994 0.00000994 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 3.52435 3.45979 1.86012 1.82311 3.35357 1.85995 1.82409 1.84730 1.85148 3.28764 1.82386 1.86752 3.43223 3.30089 1.86041 3.27181 3.32888 3.36111 1.86847 3.45438 3.49079 1.86467 1.82387 3.43315 3.36294 1.82329 1.86211 3.45083 3.26852 1.85003 1.85126 3.47242 1.86358 1.85209 3.41693 3.49174 1.86958 1.82383 3.43894 1.84804 1.85039 1.85606 1.84753 3.22143 3.44990 1.85598 1.85736 3.36017 1.82331 1.87452 1.84995 1.84474 1.42217 1.72477 2.17194 1.99048 2.21779 1.86180 1.82063 1.70446 1.91301 2.91928 1.93723 1.66766 1.83579 1.84742 2.08866 1.95114 1.86076 1.92808 1.78488 1.85099 2.05963 2.04228 1.74995 1.63557 2.02389 1.83344 1.58919 1.89769 2.08112 1.96554 1.46907 1.85599 2.10230 1.97340 1.74441 1.79320 1.81437 1.83624 1.68208 1.65141 1.65689 1.96522 1.45349 1.84938 2.37159 2.01413 1.77496 1.83909 1.82157 1.82019 1.91308 1.83417 1.63525 1.70900 1.80379 2.18896 2.16131 1.83000 1.50417 2.11306 1.95424 2.09556 1.91976 1.85827 1.79590 1.62113 1.81109 3.07082 3.07027 3.02822 3.20342 3.15963 3.02569 3.05195 2.99549 2.99849 3.20799 3.05051 3.04088 3.06584 3.09502 3.00988 3.09881 3.09399 2.97480 3.07940 2.97465 3.08813 3.07460 3.23944 3.12896 3.15431 3.36142 3.01998 3.03931 3.11776 3.14350 3.14855 3.10444 3.02801 3.05084 3.24162 3.12669 3.06542 3.37658 3.19751 3.10986 3.05280 3.38007 1.47781 -0.49765 -2.54476 1.46941 -0.36903 0.05165 -1.78679 -2.56192 1.88282 -2.30376 -0.41730 -0.63649 1.24997 1.76614 -2.63058 -2.35716 1.70253 -0.24740 2.14624 -0.07727 -2.02720 -0.49159 1.48997 -1.88434 1.37670 -2.92492 -0.01605 2.98317 -1.19157 0.91826 1.09918 -3.07556 -0.96572 -1.13222 0.83243 1.02881 -0.85305 -0.93564 -2.81750 0.26625 -1.92081 2.33883 2.37919 0.19213 -1.83142 -1.91083 2.18529 0.16174 2.25085 0.55305 0.18430 -1.51349 -1.78936 2.79603 -0.99774 1.21230 3.08003 3.05798 -1.01516 0.85257 1.14101 -2.93213 -1.06440 -1.35841 -3.14148 0.63003 -1.15304 2.33712 0.55405 -2.99759 1.64016 1.38869 -0.25675 -0.38276 -2.02820 2.40177 0.55163 0.51446 -1.33568 1.24174 2.97276 -0.57637 -0.58592 1.14509 -2.40404 2.17917 0.34064 -2.01094 2.43371 0.23524 -1.60329 -1.15486 -2.91187 0.70992 2.79204 1.03503 -1.62636 0.42581 -1.33120 2.29059 -0.44524 1.68409 -2.34729 1.37554 -2.77831 -0.52650 -1.20742 -3.10592 1.16303 0.48393 -1.41457 2.85438 0.30492 -1.69540 1.84802 -0.15230 -1.63479 2.64807 0.31291 -1.30622 2.68031 2.24735 0.62822 -1.66844 -1.99195 -0.17291 -0.07042 1.74861 -1.22422 2.91935 0.71009 -3.01387 1.12970 -1.07956 0.52017 -1.61944 2.45448 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 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 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00093 0.00186 -0.00002 0.00002 0.00003 0.00000 0.00001 0.00020 -0.00009 0.00006 0.00001 -0.00005 0.00093 0.00056 -0.00004 0.00030 0.00017 0.00038 -0.00001 -0.00050 -0.00049 0.00001 -0.00000 0.00043 -0.00020 -0.00001 0.00005 -0.00004 -0.00046 -0.00001 0.00003 0.00021 -0.00004 -0.00001 0.00031 -0.00002 -0.00002 -0.00000 -0.00012 -0.00022 0.00001 -0.00005 0.00000 -0.00049 0.00035 -0.00003 0.00002 -0.00019 -0.00000 0.00006 0.00003 -0.00006 -0.00191 -0.00143 -0.01366 0.00303 0.00952 -0.00009 -0.00012 0.00015 0.00186 0.00216 0.00020 -0.00002 -0.00010 -0.00002 -0.00043 0.00149 -0.00114 0.00013 -0.00009 -0.00002 -0.00030 0.00002 0.00036 0.00043 -0.00015 0.00003 -0.00047 -0.00017 0.00216 -0.00224 0.00008 0.00003 -0.00013 -0.00008 0.00041 -0.00009 0.00000 -0.00006 -0.00122 -0.00028 -0.00062 0.00107 0.00018 0.00001 -0.00079 0.00058 0.00039 -0.00041 0.00015 0.00001 -0.00012 0.00010 0.00064 0.00025 0.00046 -0.00207 0.00128 0.00007 -0.00067 0.00007 0.00040 0.00028 -0.00017 0.00002 0.00038 0.00030 0.00005 0.00009 -0.00159 -0.00009 -0.00016 0.00035 -0.00003 -0.00008 0.00001 0.00003 -0.00045 -0.00012 0.00061 -0.00185 0.00024 -0.00017 -0.00007 -0.00011 0.00026 0.00002 -0.00003 -0.00162 -0.00010 0.00139 -0.00009 -0.00047 0.00024 0.00000 0.00008 0.00020 -0.00017 -0.00002 -0.00021 0.00043 0.00073 -0.00022 0.00004 0.00037 0.00001 -0.00040 -0.00019 -0.00019 -0.00106 0.01193 0.00890 0.01746 -0.00106 -0.00096 0.00126 0.00136 -0.01789 -0.01779 0.00116 0.00059 -0.00133 -0.00191 0.01718 0.01660 -0.00036 -0.00059 -0.00027 -0.00040 -0.00063 -0.00031 0.00219 0.00326 0.00192 0.00260 0.00368 0.00234 0.00011 -0.00183 -0.00076 0.00018 -0.00176 -0.00069 -0.01194 -0.00995 -0.00083 -0.00098 -0.00099 -0.00115 0.00148 0.00147 0.00159 0.00016 0.00015 0.00027 -0.00013 -0.00013 -0.00001 -0.00037 0.00043 -0.00131 -0.00051 -0.00002 0.00078 0.00051 -0.00145 -0.00119 0.00175 -0.00022 0.00004 0.00225 0.00029 0.00055 -0.00007 -0.00048 -0.00001 -0.00042 0.00061 0.00020 0.00039 0.00003 0.00015 -0.00021 -0.00043 -0.00079 -0.00038 -0.00047 -0.00004 -0.00013 0.00057 0.00116 0.00005 0.00071 0.00130 0.00019 -0.00072 -0.00116 0.00192 0.00148 0.00166 0.00122 -0.00027 -0.00073 0.00104 -0.00136 -0.00182 -0.00005 -0.00102 -0.00148 0.00030 -0.00001 -0.00009 0.00040 -0.00000 -0.00008 0.00041 0.00136 0.00144 0.00062 -0.00000 0.00007 -0.00075 -0.00075 -0.00065 -0.00126 -0.00115 -0.00206 -0.00195 -0.00077 -0.00004 -0.00035 -0.00076 -0.00003 -0.00035 0.00056 0.00070 0.00059 0.00072 -0.00034 -0.00014 -0.00010 -0.00202 -0.00182 -0.00177 0.00011 0.00031 0.00035 -0.00093 0.00186 -0.00002 0.00002 0.00003 0.00000 0.00001 0.00020 -0.00008 0.00005 0.00001 -0.00005 0.00094 0.00055 -0.00004 0.00030 0.00017 0.00038 -0.00001 -0.00050 -0.00049 0.00001 -0.00000 0.00043 -0.00020 -0.00001 0.00005 -0.00005 -0.00046 -0.00001 0.00003 0.00021 -0.00005 -0.00000 0.00031 -0.00002 -0.00002 -0.00000 -0.00012 -0.00022 0.00001 -0.00005 0.00000 -0.00049 0.00034 -0.00003 0.00002 -0.00020 -0.00000 0.00006 0.00003 -0.00006 -0.00190 -0.00144 -0.01363 0.00300 0.00948 -0.00021 -0.00012 0.00015 0.00185 0.00216 0.00021 -0.00002 -0.00010 -0.00002 -0.00043 0.00149 -0.00114 0.00013 -0.00009 -0.00002 -0.00030 0.00002 0.00036 0.00043 -0.00015 0.00003 -0.00047 -0.00018 0.00216 -0.00224 0.00008 0.00003 -0.00013 -0.00008 0.00041 -0.00009 0.00000 -0.00005 -0.00122 -0.00028 -0.00062 0.00107 0.00018 0.00001 -0.00079 0.00058 0.00039 -0.00041 0.00015 0.00001 -0.00012 0.00010 0.00063 0.00026 0.00047 -0.00207 0.00128 0.00007 -0.00067 0.00007 0.00040 0.00028 -0.00017 0.00002 0.00038 0.00030 0.00005 0.00009 -0.00159 -0.00010 -0.00016 0.00035 -0.00003 -0.00008 0.00001 0.00003 -0.00044 -0.00012 0.00061 -0.00185 0.00026 -0.00017 -0.00007 -0.00011 0.00026 0.00002 -0.00003 -0.00160 -0.00010 0.00138 -0.00009 -0.00047 0.00024 0.00000 0.00008 0.00020 -0.00017 -0.00001 -0.00023 0.00042 0.00074 -0.00021 0.00004 0.00037 0.00001 -0.00040 -0.00019 -0.00018 -0.00108 0.01192 0.00892 0.01746 -0.00106 -0.00097 0.00126 0.00135 -0.01786 -0.01776 0.00115 0.00058 -0.00135 -0.00193 0.01724 0.01666 -0.00037 -0.00060 -0.00028 -0.00040 -0.00063 -0.00031 0.00218 0.00326 0.00192 0.00260 0.00368 0.00234 0.00011 -0.00183 -0.00076 0.00018 -0.00175 -0.00069 -0.01194 -0.00995 -0.00083 -0.00097 -0.00099 -0.00114 0.00147 0.00147 0.00159 0.00016 0.00015 0.00027 -0.00013 -0.00013 -0.00001 -0.00036 0.00043 -0.00131 -0.00051 -0.00002 0.00078 0.00051 -0.00145 -0.00119 0.00175 -0.00022 0.00004 0.00225 0.00029 0.00055 -0.00007 -0.00048 -0.00001 -0.00042 0.00061 0.00020 0.00039 0.00003 0.00015 -0.00021 -0.00043 -0.00079 -0.00038 -0.00047 -0.00004 -0.00013 0.00057 0.00116 0.00005 0.00071 0.00130 0.00019 -0.00071 -0.00116 0.00192 0.00147 0.00167 0.00122 -0.00027 -0.00073 0.00104 -0.00137 -0.00182 -0.00005 -0.00102 -0.00148 0.00030 -0.00001 -0.00009 0.00040 -0.00000 -0.00009 0.00041 0.00136 0.00144 0.00062 -0.00001 0.00007 -0.00075 -0.00075 -0.00065 -0.00126 -0.00115 -0.00206 -0.00196 -0.00077 -0.00004 -0.00035 -0.00076 -0.00003 -0.00035 0.00056 0.00070 0.00058 0.00072 -0.00034 -0.00014 -0.00010 -0.00202 -0.00182 -0.00177 0.00011 0.00031 0.00036 3.52341 3.46165 1.86010 1.82313 3.35361 1.85996 1.82410 1.84750 1.85141 3.28769 1.82387 1.86747 3.43317 3.30145 1.86037 3.27211 3.32905 3.36149 1.86846 3.45388 3.49031 1.86467 1.82387 3.43358 3.36274 1.82328 1.86216 3.45079 3.26807 1.85002 1.85129 3.47263 1.86353 1.85209 3.41724 3.49172 1.86956 1.82383 3.43882 1.84782 1.85040 1.85601 1.84753 3.22094 3.45024 1.85595 1.85738 3.35997 1.82331 1.87459 1.84997 1.84469 1.42027 1.72333 2.15831 1.99349 2.22727 1.86159 1.82052 1.70460 1.91486 2.92143 1.93744 1.66763 1.83569 1.84740 2.08822 1.95263 1.85962 1.92820 1.78479 1.85096 2.05933 2.04230 1.75031 1.63600 2.02374 1.83347 1.58872 1.89752 2.08328 1.96330 1.46915 1.85602 2.10217 1.97332 1.74482 1.79311 1.81438 1.83619 1.68085 1.65112 1.65627 1.96629 1.45367 1.84940 2.37080 2.01470 1.77535 1.83868 1.82172 1.82020 1.91296 1.83427 1.63588 1.70925 1.80426 2.18689 2.16259 1.83007 1.50349 2.11314 1.95464 2.09584 1.91959 1.85829 1.79628 1.62142 1.81113 3.07091 3.06868 3.02812 3.20326 3.15999 3.02566 3.05187 2.99550 2.99851 3.20755 3.05039 3.04148 3.06400 3.09527 3.00971 3.09873 3.09388 2.97507 3.07942 2.97462 3.08653 3.07451 3.24082 3.12888 3.15384 3.36166 3.01999 3.03939 3.11796 3.14333 3.14854 3.10422 3.02844 3.05158 3.24141 3.12673 3.06579 3.37659 3.19711 3.10967 3.05262 3.37900 1.48973 -0.48873 -2.52730 1.46835 -0.37000 0.05291 -1.78544 -2.57978 1.86506 -2.30260 -0.41672 -0.63784 1.24804 1.78338 -2.61392 -2.35752 1.70193 -0.24768 2.14584 -0.07789 -2.02750 -0.48941 1.49323 -1.88242 1.37930 -2.92124 -0.01371 2.98328 -1.19340 0.91750 1.09936 -3.07731 -0.96641 -1.14416 0.82248 1.02798 -0.85403 -0.93663 -2.81865 0.26773 -1.91934 2.34042 2.37935 0.19228 -1.83115 -1.91096 2.18516 0.16173 2.25048 0.55348 0.18299 -1.51401 -1.78938 2.79681 -0.99723 1.21085 3.07884 3.05973 -1.01538 0.85261 1.14327 -2.93184 -1.06385 -1.35848 3.14123 0.63002 -1.15346 2.33773 0.55425 -2.99720 1.64019 1.38884 -0.25696 -0.38320 -2.02899 2.40138 0.55115 0.51442 -1.33581 1.24231 2.97391 -0.57632 -0.58521 1.14639 -2.40384 2.17846 0.33948 -2.00902 2.43518 0.23691 -1.60207 -1.15514 -2.91261 0.71096 2.79067 1.03320 -1.62642 0.42479 -1.33268 2.29089 -0.44526 1.68399 -2.34688 1.37554 -2.77840 -0.52609 -1.20606 -3.10448 1.16365 0.48392 -1.41450 2.85363 0.30417 -1.69605 1.84677 -0.15345 -1.63686 2.64611 0.31214 -1.30626 2.67996 2.24659 0.62818 -1.66879 -1.99139 -0.17222 -0.06984 1.74933 -1.22457 2.91921 0.71000 -3.01589 1.12788 -1.08133 0.52027 -1.61913 2.45484 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.023919 0.001938 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.624027e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1442.5029671053 45 45 45 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0480329334 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.963803 0.000000 6.838661 3.652427 0.000000 2.826727 4.919369 7.690057 0.000000 1.865005 4.527572 7.419685 0.977551 0.000000 4.237478 1.774634 4.965697 5.590499 5.065268 0.000000 4.248386 2.303950 5.106695 6.042716 5.394254 0.965147 0.000000 3.158119 4.457453 7.383274 0.979763 1.545689 5.077779 5.653705 0.000000 3.573656 2.113098 5.650811 4.833144 4.294959 0.988250 1.551696 4.323072 0.000000 4.078039 0.984245 3.216044 4.702892 4.422695 2.755875 3.242296 4.297812 2.985330 0.000000 4.371960 1.570738 3.748635 4.396258 4.309449 3.138816 3.824829 3.848688 3.215792 0.984485 0.000000 6.390002 3.358410 0.965266 6.960036 6.773122 4.903231 5.169665 6.656822 5.456556 2.705415 3.101449 0.000000 5.539152 2.377707 1.561163 6.170804 5.943974 3.977952 4.297195 5.829765 4.484299 1.731367 2.222956 0.988752 0.000000 7.649108 4.202738 4.676760 7.202730 7.356107 5.037161 5.857288 6.411976 5.402927 4.026146 3.410198 4.285963 3.972921 0.000000 7.700359 4.242222 4.038650 7.290608 7.441125 5.349813 6.097069 6.586301 5.762382 3.873949 3.334654 3.594169 3.462112 0.986738 0.000000 7.538909 3.849455 4.374251 7.434095 7.466716 4.471185 5.239215 6.652669 4.966954 3.856674 3.426033 4.157972 3.790989 0.965150 1.549097 0.000000 4.184037 3.930212 7.013349 2.791609 3.113811 4.344024 5.136740 1.816255 3.674072 3.944417 3.266797 6.347333 5.482782 5.071375 5.459111 5.293679 0.000000 5.021981 4.761984 7.792538 3.393024 3.835337 5.029698 5.858136 2.437550 4.356426 4.808193 4.065376 7.124994 6.286402 5.321350 5.813245 5.605841 0.964842 0.000000 4.562766 3.506634 6.274311 3.297603 3.624266 4.208982 5.061816 2.376195 3.736225 3.382849 2.559569 5.578371 4.765121 4.168456 4.505063 4.462793 0.985386 1.561049 0.000000 7.903664 4.741334 3.393937 7.512412 7.669587 6.206887 6.818379 6.987875 6.628143 4.071528 3.710006 2.801093 3.096170 2.757402 1.779593 3.198944 6.269184 6.757217 5.302700 0.000000 7.517209 4.747210 3.890850 6.851114 7.096856 6.307149 6.960099 6.357110 6.591310 3.974810 3.477628 3.114807 3.273881 3.030432 2.174237 3.632757 5.761599 6.238816 4.802008 0.978995 0.000000 7.363590 4.155374 2.435248 7.290357 7.332340 5.678012 6.191210 6.832739 6.159450 3.466808 3.324646 1.827977 2.227844 3.125980 2.212634 3.324020 6.239404 6.841789 5.318617 0.979644 1.542965 0.000000 2.773494 3.243671 4.684378 3.845088 3.361018 4.518721 4.597429 4.061575 4.367370 2.746325 3.241562 4.132024 3.518917 6.570244 6.277509 6.547863 4.852284 5.805702 4.660484 5.932292 5.566120 5.270239 0.000000 3.004044 2.314994 4.035714 3.919078 3.501418 3.750506 3.953216 3.891161 3.688542 1.761568 2.298992 3.465760 2.719680 5.629134 5.375291 5.573765 4.314606 5.270033 4.002286 5.179390 4.877115 4.526016 0.986164 0.000000 2.962370 3.788248 5.227648 3.281540 2.995383 5.130254 5.333912 3.590442 4.868583 3.175602 3.402043 4.540373 3.975952 6.662754 6.358335 6.777359 4.593990 5.504897 4.417928 5.952192 5.436858 5.409574 0.980086 1.562115 0.000000 3.885262 5.121842 6.584185 2.721898 2.964569 6.447895 6.812517 3.192861 6.030540 4.451486 4.291641 5.754388 5.267980 7.177697 6.893529 7.512187 4.516764 5.248882 4.419502 6.452924 5.709148 6.154257 2.824780 3.210705 1.847748 0.000000 3.370367 4.939259 6.935331 1.739742 2.106081 6.075347 6.485991 2.265088 5.534569 4.409161 4.167253 6.126140 5.509089 7.076810 6.928238 7.390258 3.757413 4.460725 3.830981 6.739821 6.007261 6.480226 3.041430 3.306451 2.169645 0.989338 0.000000 4.198807 5.948385 7.314240 3.136566 3.333965 7.213878 7.504293 3.804158 6.764379 5.305785 5.218417 6.511597 6.072043 8.137888 7.833917 8.468356 5.307066 6.004098 5.303070 7.314052 6.563478 6.994802 3.324840 3.906731 2.390863 0.965129 1.560583 0.000000 2.804383 3.293942 6.929336 3.602297 3.088214 2.730904 3.157507 3.129960 1.746758 3.861743 3.837963 6.552980 5.566957 6.265331 6.658445 6.047294 2.801460 3.417465 3.307277 7.481963 7.229840 7.119403 4.486760 4.038577 4.716905 5.467145 4.747946 6.104917 0.000000 1.830840 3.327194 6.815225 3.121164 2.412259 3.069128 3.314924 2.897559 2.167997 3.762820 3.870854 6.412664 5.448971 6.706485 6.974177 6.522215 3.129940 3.873069 3.616242 7.580565 7.278995 7.144258 3.788550 3.515734 4.023665 4.847912 4.162556 5.401097 0.977940 0.000000 3.134811 3.295519 6.862986 3.116113 2.854975 3.109545 3.738417 2.441272 2.217379 3.693395 3.428595 6.379972 5.410856 5.717689 6.127834 5.631687 1.826101 2.459987 2.390755 6.977441 6.646561 6.720637 4.486341 3.976021 4.547421 5.043123 4.282936 5.748938 0.979185 1.546102 0.000000 5.968328 5.346383 5.199287 5.139885 5.394959 7.060903 7.487817 5.205801 7.004445 4.388571 4.191643 4.285449 4.258325 6.199731 5.581664 6.655868 5.781488 6.472068 5.201556 4.527291 3.768996 4.303337 3.730076 3.747294 3.120252 2.795099 3.578879 3.324274 7.050284 6.625784 6.554763 0.000000 5.793438 4.953509 4.446108 5.448200 5.534324 6.690855 7.024623 5.523465 6.733887 3.993007 4.004172 3.589904 3.639775 6.166461 5.499189 6.500282 6.057408 6.830698 5.463299 4.365022 3.774837 3.944015 3.269163 3.295332 2.879897 3.135791 3.931821 3.651690 6.969976 6.510789 6.587852 0.982185 0.000000 5.189926 5.124308 5.599324 4.237346 4.504388 6.747258 7.166402 4.398126 6.567492 4.231550 4.026450 4.695228 4.472524 6.419398 5.924516 6.843409 5.195663 5.908524 4.748908 5.112977 4.338503 4.861937 3.216600 3.349744 2.436964 1.819811 2.622128 2.397909 6.416849 5.933295 5.927495 0.977668 1.547425 0.000000 5.420699 3.187163 5.001104 4.482967 4.755801 4.368328 5.220541 3.728938 4.274604 2.761857 1.778625 4.257908 3.605924 2.782006 2.893952 3.233416 2.709229 3.188954 1.729629 3.580819 3.112295 3.674993 4.594034 3.788723 4.422666 4.617271 4.380026 5.578351 4.480741 4.711611 3.736840 4.396715 4.575752 4.263970 0.000000 6.153178 3.346949 4.821346 5.414872 5.637365 4.394556 5.276191 4.624963 4.469790 3.041319 2.146954 4.182023 3.605834 1.816747 2.083310 2.314769 3.389956 3.743213 2.434173 3.170157 2.920668 3.368272 5.271480 4.387517 5.215402 5.546519 5.346721 6.510734 4.945522 5.295739 4.264641 5.039226 5.138883 5.043383 0.982141 0.000000 5.814005 3.775674 4.964445 4.678894 5.044200 5.164048 5.957495 4.046686 5.100806 3.130274 2.221896 4.117534 3.639493 3.082194 2.917524 3.690159 3.357393 3.816639 2.418832 3.151112 2.470454 3.342784 4.619261 3.910423 4.317500 4.303854 4.237494 5.248868 5.265286 5.370485 4.518231 3.652724 3.939740 3.643112 0.982875 1.557400 0.000000 6.852262 5.027033 5.094473 5.622577 6.053035 6.625908 7.318995 5.214024 6.642817 4.175677 3.504395 4.166590 4.072824 4.042723 3.492197 4.752596 4.936801 5.377335 4.077471 2.809527 1.837527 3.141774 5.098718 4.589208 4.661390 4.385516 4.669425 5.206920 6.833848 6.782937 6.126071 2.695176 3.150621 3.086618 2.751215 3.090284 1.778124 0.000000 7.546379 5.927479 6.001816 6.019805 6.567616 7.477054 8.202807 5.619944 7.441868 5.100667 4.378456 5.084284 5.031475 4.579913 4.081901 5.387174 5.362123 5.671348 4.548047 3.438458 2.477381 3.929424 5.901330 5.454168 5.366733 4.799537 5.071768 5.548107 7.506458 7.475579 6.733336 3.140995 3.774378 3.528197 3.375059 3.693460 2.410762 0.964856 0.000000 6.446720 5.022988 4.995893 5.319021 5.703177 6.706416 7.309331 5.074784 6.694708 4.094782 3.583181 4.035522 3.969822 4.797666 4.203325 5.403479 5.131537 5.683871 4.364818 3.306554 2.392557 3.392373 4.491918 4.137163 3.984393 3.670572 4.121070 4.430100 6.830450 6.637905 6.188961 1.704706 2.234871 2.174774 3.227931 3.730384 2.313412 0.991955 1.567693 0.000000 5.667333 4.546061 3.395803 6.198672 5.997320 6.188231 6.300365 6.293699 6.411372 3.711427 4.149544 2.814893 2.987815 6.491630 5.811163 6.569752 6.759328 7.637060 6.198261 4.706623 4.469154 3.957874 2.895333 2.955215 3.059844 4.168069 4.876213 4.611182 6.976651 6.465558 6.829238 2.802185 1.825606 3.115762 5.300963 5.715422 4.910316 4.487286 5.274091 3.753777 0.000000 5.878246 4.045629 2.442098 6.449126 6.247264 5.703456 5.855921 6.400186 6.045632 3.223133 3.682950 1.847249 2.150910 5.727465 5.024547 5.749416 6.600418 7.458990 5.953557 3.947558 3.863907 3.116115 3.197121 2.951954 3.489736 4.685186 5.280454 5.264827 6.810690 6.416738 6.656420 3.176489 2.255882 3.573481 4.882050 5.150388 4.549620 4.238194 5.097251 3.683205 0.978950 0.000000 0.984331 3.537808 6.037951 3.072756 2.238358 4.162702 4.164578 3.391808 3.684313 3.485015 3.885803 5.575310 4.782863 7.269128 7.206026 7.172160 4.374238 5.288702 4.548201 7.234047 6.861592 6.638971 1.808160 2.153603 2.124950 3.388489 3.097618 3.753554 3.306330 2.406148 3.532050 5.200746 4.931845 4.485343 5.102256 5.827273 5.389190 6.266554 7.008014 5.788260 4.699204 4.939061 0.000000 4.714778 4.013086 3.675683 5.444948 5.152547 5.578581 5.652954 5.591684 5.711083 3.247949 3.765576 3.107775 2.968973 6.529552 5.969113 6.558932 6.171481 7.086887 5.716774 5.116114 4.835152 4.361968 1.945661 2.142147 2.224937 3.607505 4.225450 4.054374 6.176925 5.601399 6.089906 2.971054 2.113080 2.971426 5.059388 5.568788 4.798811 4.679819 5.498151 3.952487 0.976196 1.538234 3.740074 0.000000 0.964750 4.745717 7.458116 3.504371 2.538552 4.881018 4.731120 3.972566 4.247205 4.892407 5.272145 7.069046 6.256671 8.568729 8.603498 8.422438 5.090829 5.890662 5.514967 8.752743 8.381608 8.166150 3.298805 3.702291 3.536899 4.452637 4.004231 4.586802 3.497252 2.532220 3.957808 6.623420 6.404182 5.832743 6.378851 7.104178 6.751758 7.720021 8.411290 7.254665 6.148711 6.438086 1.563514 5.174831 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6528,.6195,-1.0269;-.3315,-1.4865,-1.5224;2.8274,-.3688,-2.9757;-3.1128,.9408,1.7291;-3.4371,.8375,.8127;-1.3881,-2.8179,-2.0327;-1.7341,-2.664,-2.9205;-2.6732,.0881,1.9281;-2.131,-2.5897,-1.4222;.1921,-.7321,-1.1684;.3518,-.9377,-.2189;2.6146,.0128,-2.115;1.7349,-.3601,-1.8605;2.7628,-3.1214,.8046;3.2875,-2.335,.5218;2.5294,-3.5748,-.0148;-1.8807,-1.5382,2.0892;-2.0098,-2.0473,2.8986;-.9079,-1.5024,1.9365;4.0369,-.7594,.1712;3.5828,-.2042,.8375;3.6162,-.5037,-.6757;-1.1219,1.6591,-1.481;-.6694,.7957,-1.3316;-1.1233,2.1032,-.6073;-1.2519,2.8216,1.0902;-1.9104,2.1579,1.4138;-1.7067,3.6728,1.0992;-3.3192,-2.0567,-.2581;-3.4984,-1.1443,-.5611;-2.8274,-1.9419,.5808;1.5255,2.9536,.8057;1.6204,2.8599,-.1674;.5612,2.9067,.9598;.7484,-1.3223,1.4717;1.3746,-2.0591,1.2995;1.3157,-.569,1.7487;2.5001,.7357,1.9868;2.7966,.963,2.8764;2.166,1.5757,1.5784;1.5639,2.6205,-1.9764;2.0137,1.7595,-2.097;-2.8102,1.0303,-1.3274;.6159,2.3879,-1.9655;-4.3584,1.0245,-1.5453; 0.3157614 0.2372229 0.2011520 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 9.16D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 525 523 524 525 525 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22807318611 -1147.22807319 1 1.143316489766e+03 -5.596020530667e+03 1.863005935830e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 13761 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 15099494400 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 3.26D-14 1.00D-09 XBig12= 6.53D+01 1.34D+00. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 3.26D-14 1.00D-09 XBig12= 1.91D+00 1.36D-01. 135 vectors produced by pass 2 Test12= 3.26D-14 1.00D-09 XBig12= 2.09D-02 1.38D-02. 135 vectors produced by pass 3 Test12= 3.26D-14 1.00D-09 XBig12= 6.34D-05 5.22D-04. 135 vectors produced by pass 4 Test12= 3.26D-14 1.00D-09 XBig12= 1.18D-07 2.08D-05. 73 vectors produced by pass 5 Test12= 3.26D-14 1.00D-09 XBig12= 1.35D-10 6.71D-07. 4 vectors produced by pass 6 Test12= 3.26D-14 1.00D-09 XBig12= 9.99D-14 2.16D-08. 3 vectors produced by pass 7 Test12= 3.26D-14 1.00D-09 XBig12= 1.16D-15 2.18D-09. 3 vectors produced by pass 8 Test12= 3.26D-14 1.00D-09 XBig12= 1.79D-15 3.87D-09. 1 vectors produced by pass 9 Test12= 3.26D-14 1.00D-09 XBig12= 3.21D-16 1.17D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 759 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 168.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 169.876 -0.012 169.272 -1.320 0.434 166.752 156.224 -0.524 156.082 -0.390 0.324 156.093 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT19266S Thu Jul 18 23:23:31 2024 -19.13018 -19.12908 -19.12807 -19.12748 -19.12683 -19.12180 -19.12159 -19.12052 -19.11851 -19.11708 -19.11522 -19.11511 -19.11401 -19.11394 -19.11232 -1.02982 -1.02409 -1.02173 -1.02012 -1.01612 -1.01396 -1.01277 -1.00953 -1.00639 -1.00049 -0.99840 -0.99540 -0.99368 -0.99201 -0.98808 -0.54281 -0.54205 -0.54190 -0.53823 -0.53712 -0.53148 -0.53126 -0.52992 -0.52894 -0.52772 -0.52576 -0.52281 -0.52132 -0.52102 -0.51939 -0.45067 -0.43754 -0.43394 -0.42754 -0.41546 -0.40770 -0.40394 -0.40170 -0.39781 -0.39299 -0.38873 -0.38323 -0.37970 -0.37440 -0.36305 -0.33102 -0.32931 -0.32848 -0.32756 -0.32747 -0.32641 -0.32354 -0.32148 -0.31883 -0.31846 -0.31774 -0.31619 -0.31437 -0.31379 -0.31301 -0.00233 0.02595 0.03262 0.03891 0.05831 0.05921 0.06232 0.07745 0.08312 0.09769 0.10151 0.10369 0.10705 0.11001 0.11095 0.12256 0.12378 0.13341 0.13710 0.13903 0.14369 0.14482 0.15120 0.15196 0.15580 0.16330 0.16862 0.17371 0.17573 0.18264 0.18688 0.18997 0.19515 0.19851 0.19996 0.20411 0.21202 0.21415 0.21612 0.22128 0.22458 0.23039 0.23112 0.23536 0.23744 0.23873 0.24225 0.24984 0.25120 0.25708 0.25867 0.26296 0.26678 0.26940 0.27367 0.27591 0.28047 0.28394 0.28524 0.28713 0.29060 0.29238 0.29461 0.29873 0.29978 0.30335 0.30613 0.31033 0.31171 0.31585 0.32789 0.34408 0.35017 0.35791 0.36429 0.36871 0.40542 0.41476 0.41959 0.43660 0.44539 0.45253 0.45992 0.47806 0.48404 0.49180 0.50269 0.51316 0.51759 0.52562 0.53045 0.53364 0.53605 0.54499 0.55563 0.55707 0.56385 0.56805 0.57795 0.58374 0.58779 0.59607 0.60474 0.61508 0.61754 0.62669 0.62800 0.63326 0.64038 0.64547 0.65074 0.66151 0.66776 0.68372 0.68801 0.69379 0.70736 0.71303 0.73603 0.74733 0.94926 0.95952 0.96898 0.97126 0.97676 0.98332 0.98527 0.99624 1.00476 1.00775 1.01330 1.01950 1.02094 1.03322 1.03739 1.04183 1.04808 1.05139 1.05590 1.05842 1.06272 1.06783 1.07101 1.07598 1.08228 1.08980 1.09002 1.09203 1.09725 1.10093 1.10296 1.10845 1.11283 1.11717 1.12308 1.12880 1.13532 1.14206 1.14982 1.15691 1.16319 1.19018 1.19824 1.20225 1.22800 1.24160 1.25674 1.26374 1.26912 1.27953 1.28537 1.29319 1.29626 1.31008 1.31158 1.31327 1.32266 1.33372 1.33746 1.34037 1.35270 1.36079 1.36775 1.36966 1.38389 1.38599 1.39586 1.41442 1.41795 1.42192 1.42831 1.43458 1.43842 1.44829 1.45531 1.45850 1.47515 1.47858 1.49253 1.50029 1.50141 1.51368 1.52060 1.53174 1.55312 1.55914 1.56524 1.56765 1.57925 1.58832 1.60030 1.60429 1.60931 1.61503 1.62961 1.64043 1.64812 1.65240 1.65426 1.66620 1.68902 1.69659 1.70074 1.70851 1.72064 1.72939 1.73327 1.74765 1.75193 1.76901 1.77543 1.78798 1.79067 1.79642 1.80602 1.81614 1.82685 1.84296 1.86307 1.89540 2.03138 2.03592 2.03909 2.04189 2.05096 2.05608 2.05829 2.16225 2.21240 2.23330 2.25533 2.26358 2.29607 2.29770 2.31348 2.32821 2.34367 2.34517 2.35650 2.36305 2.36542 2.39086 2.40149 2.40927 2.41913 2.42670 2.44270 2.45130 2.47550 2.48670 2.54386 2.57907 2.58185 2.58818 2.60503 2.61123 2.62609 2.68159 2.68251 2.70186 2.70629 2.71341 2.71711 2.73387 2.74567 2.74873 2.75010 2.75856 2.76433 2.78521 2.79343 2.80268 2.81857 2.83437 2.83906 2.85548 2.86709 2.87768 2.90589 2.93411 3.06973 3.07141 3.07938 3.08654 3.09102 3.09506 3.09853 3.10045 3.10426 3.11240 3.11695 3.12044 3.12613 3.12897 3.13392 3.13679 3.13808 3.14553 3.15184 3.15540 3.16016 3.16361 3.16505 3.16969 3.17223 3.18472 3.18928 3.19235 3.20041 3.21827 3.29820 3.29983 3.31382 3.31432 3.31653 3.31768 3.32479 3.33776 3.34019 3.35680 3.36255 3.36530 3.37147 3.37746 3.39602 3.69539 3.70543 3.71018 3.71524 3.72419 3.72614 3.73391 3.73909 3.74470 3.75323 3.75802 3.77203 3.77536 3.79525 3.82413 3.90435 3.91092 3.91474 3.92302 3.92491 3.93254 3.93523 3.94102 3.94752 3.94963 3.95556 3.96286 3.97282 3.98895 4.00697 5.00221 5.01195 5.02277 5.02446 5.02615 5.03232 5.03519 5.03921 5.04819 5.05613 5.06001 5.08250 5.12161 5.18363 5.21353 5.37057 5.37238 5.38889 5.41267 5.42106 5.42875 5.44782 5.45113 5.46544 5.47560 5.49657 5.50478 5.52289 5.57673 5.58259 5.66074 5.66199 5.66984 5.67254 5.67360 5.67799 5.68444 5.69768 5.70744 5.73620 5.74054 5.75897 5.78768 5.79818 5.81131 49.88016 49.88763 49.89867 49.90513 49.91320 49.91510 49.92100 49.92949 49.93475 49.94042 49.95060 49.96002 49.96910 49.97792 49.98867 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.753599 0.464891 0.335789 -0.754485 0.363550 -0.757363 0.318163 0.404177 0.410626 -0.865989 0.435598 -0.747472 0.407075 -0.719259 0.402251 0.307737 -0.772861 0.346141 0.427671 -0.777443 0.382490 0.398858 -0.832518 0.440621 0.421332 -0.800327 0.436170 0.332302 -0.729769 0.369602 0.373977 -0.787743 0.392315 0.405170 -0.843226 0.425567 0.413638 -0.788017 0.345097 0.432671 -0.771212 0.390674 0.395405 0.367551 0.354175 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 41 O O O O O O O O O O O O O O O -0.004019 0.013242 -0.028574 0.034501 -0.004608 -0.009271 0.000950 0.003904 0.029435 -0.031854 0.013810 0.009742 -0.004021 -0.010250 -0.012987 0.00000 -2.01364500e+00 -1.96897409e-01 -6.10592043e-01 1.69875584e+02 -1.24765940e-02 1.69272482e+02 -1.31991441e+00 4.34022650e-01 1.66751853e+02 -4.7747 -0.0005 0.0006 0.0012 6.0879 8.3257 27.9782 35.2208 40.0593 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.8777 35.0585 40.0582 44.1951 44.8083 49.2326 54.5491 57.6736 59.7720 66.3927 67.8874 69.0158 80.0367 84.4946 92.4811 99.8704 132.6681 140.4522 142.6506 157.3039 161.7816 173.2804 181.5893 184.9217 192.5749 195.1909 201.0927 201.2530 206.2737 210.9326 219.0383 224.6724 228.8886 231.5208 237.9265 247.8409 250.0704 255.1871 261.5197 263.9028 274.0994 278.2406 284.8426 289.2679 304.6027 315.9438 408.3385 422.1002 425.0121 430.9220 449.9727 468.8084 473.2174 512.9193 521.2178 541.6915 562.2857 565.5881 584.1082 589.5226 603.3138 616.5233 631.9974 645.6967 652.0302 660.9245 666.9222 672.0412 682.0772 690.5440 703.6612 719.6922 724.7645 744.9109 771.4378 786.5605 794.3290 797.5976 822.3472 849.9833 862.6181 874.9604 879.6590 906.4396 1596.3556 1601.5555 1610.3043 1614.6550 1620.4384 1627.2360 1630.3005 1635.1200 1647.0787 1650.2748 1653.4341 1656.2977 1658.3365 1662.7174 1664.0188 3227.5194 3286.3309 3287.6471 3306.6788 3333.4496 3343.1070 3362.8658 3390.5015 3404.0620 3435.3359 3446.4456 3459.6878 3478.9773 3495.7736 3501.1409 3502.4700 3527.7595 3528.0650 3540.7268 3542.9160 3562.7804 3577.0102 3598.0845 3827.7398 3827.9477 3828.2778 3831.0068 3834.3932 3834.6934 3835.6594 5.7386 5.8975 6.3501 5.7689 5.8819 6.4030 5.7497 6.5714 6.5858 6.4373 6.6537 6.3647 7.0223 6.3997 6.8255 6.4157 1.5189 4.9653 3.2254 4.8571 6.4630 4.3252 4.1821 3.1969 5.5254 4.4510 4.3011 4.9458 6.1454 5.1243 5.2594 5.2338 5.4844 4.0708 1.8109 2.3425 1.4663 2.1521 1.1709 2.0309 3.3591 1.6130 1.6758 3.5493 2.9350 5.3296 1.0503 1.0708 1.0630 1.0648 1.0587 1.0564 1.0708 1.0287 1.0463 1.0481 1.0292 1.0300 1.0454 1.0385 1.0414 1.0426 1.0486 1.0446 1.0409 1.0449 1.0459 1.0545 1.0373 1.0460 1.0447 1.0635 1.0427 1.0623 1.0501 1.0431 1.0332 1.0377 1.0467 1.0415 1.0388 1.0372 1.0429 1.0249 1.0775 1.0761 1.0754 1.0707 1.0761 1.0706 1.0701 1.0715 1.0685 1.0713 1.0710 1.0676 1.0700 1.0664 1.0706 1.0673 1.0645 1.0650 1.0671 1.0621 1.0648 1.0632 1.0657 1.0734 1.0614 1.0633 1.0835 1.0579 1.0584 1.0680 1.0582 1.0600 1.0546 1.0751 1.0769 1.0707 1.0769 1.0721 1.0664 1.0666 1.0666 1.0665 1.0665 1.0673 1.0677 0.0026 0.0043 0.0060 0.0066 0.0070 0.0091 0.0101 0.0129 0.0139 0.0167 0.0181 0.0179 0.0265 0.0269 0.0344 0.0377 0.0158 0.0577 0.0387 0.0708 0.0997 0.0765 0.0812 0.0644 0.1207 0.0999 0.1025 0.1180 0.1541 0.1343 0.1487 0.1557 0.1693 0.1286 0.0604 0.0848 0.0540 0.0826 0.0472 0.0833 0.1487 0.0736 0.0801 0.1750 0.1604 0.3134 0.1032 0.1124 0.1131 0.1165 0.1263 0.1368 0.1413 0.1595 0.1675 0.1812 0.1917 0.1941 0.2102 0.2126 0.2233 0.2335 0.2468 0.2566 0.2607 0.2689 0.2741 0.2806 0.2843 0.2939 0.3048 0.3246 0.3227 0.3473 0.3682 0.3802 0.3841 0.3889 0.4170 0.4433 0.4554 0.4678 0.4755 0.4962 1.6178 1.6262 1.6430 1.6446 1.6649 1.6702 1.6757 1.6879 1.7078 1.7190 1.7251 1.7256 1.7337 1.7370 1.7467 6.5506 6.7737 6.7822 6.8742 6.9535 7.0113 7.0838 7.2176 7.3287 7.3804 7.4411 7.6412 7.5441 7.6205 7.7134 7.6482 7.7724 7.7343 7.9413 7.9644 8.0077 8.1182 8.1778 9.2053 9.2085 9.2098 9.2224 9.2383 9.2466 9.2547 0.9483 1.2662 1.8221 2.0065 8.3713 5.3775 2.1957 1.4998 5.1230 3.9568 2.8266 1.1884 0.1575 1.3847 1.8660 4.4285 82.3512 5.5723 36.0431 13.9167 11.8435 55.0908 23.9694 22.8092 8.3219 60.8465 47.7030 89.9060 67.5587 60.8495 45.9522 60.0258 85.9619 35.8517 249.6397 75.0826 138.8653 164.6492 170.0105 125.0530 54.1036 132.7249 123.3888 47.4271 69.4389 28.2423 5.2668 30.5665 233.4024 58.3089 22.6958 116.8235 93.3450 6.8004 76.1664 23.8163 46.7252 40.7566 58.2262 60.1458 203.1220 103.1960 34.7219 138.5831 148.0051 319.9306 71.9420 370.1358 142.1088 249.2005 133.7880 931.9998 222.4577 653.6074 93.7052 81.5400 87.2638 284.2438 597.3533 408.5546 80.7356 167.6626 145.0197 31.4581 78.3807 144.6369 180.2065 120.7391 72.8861 122.2593 118.3336 225.7844 133.4013 248.6590 95.2584 37.4735 140.0813 52.5757 50.4803 1504.8613 379.0178 2886.1685 183.2360 1477.5140 1860.4454 2051.1547 881.1000 2395.3279 143.6215 1024.4488 887.0689 382.8093 927.5919 778.9402 792.4738 73.9029 391.5135 1264.8466 204.9650 881.8514 1655.1631 558.3370 116.0354 117.0531 121.5314 127.7727 130.4470 133.2632 134.3069 -0.04 0.09 0.09 -0.08 -0.03 -0.08 0.07 -0.11 0.05 0.08 -0.04 0.08 0.03 0.01 0.09 -0.19 0.10 -0.16 -0.20 0.20 -0.14 0.06 -0.06 0.02 -0.16 0.09 -0.12 -0.02 -0.07 -0.06 -0.02 -0.10 -0.07 0.02 -0.09 0.03 0.01 -0.09 -0.01 0.22 0.06 0.20 0.17 0.08 0.17 0.35 -0.06 0.23 0.02 -0.10 -0.08 0.03 -0.11 -0.09 0.02 -0.09 -0.09 0.04 0.12 0.09 -0.01 0.11 0.06 0.02 0.04 0.07 0.00 -0.04 0.03 -0.01 -0.05 0.01 0.03 -0.04 0.02 0.04 -0.01 0.02 0.06 -0.03 0.04 0.00 -0.03 -0.00 -0.10 0.05 -0.04 -0.09 0.07 0.01 -0.05 -0.01 -0.06 0.02 0.06 -0.07 0.01 0.00 -0.06 0.02 0.05 -0.06 0.02 -0.05 -0.08 0.08 -0.02 -0.01 -0.04 -0.01 -0.07 -0.11 0.04 0.01 -0.17 0.04 0.03 -0.06 0.05 -0.02 0.00 -0.09 -0.05 0.00 -0.10 -0.02 -0.03 0.04 0.07 0.00 -0.09 -0.03 -0.03 0.14 0.12 -0.06 0.12 -0.06 0.02 -0.04 0.21 -0.19 -0.10 -0.00 -0.05 -0.01 -0.05 -0.06 0.05 -0.05 0.09 -0.03 0.07 0.26 -0.04 0.00 -0.04 -0.02 -0.11 0.00 0.03 -0.06 -0.02 -0.02 0.23 0.02 -0.03 0.22 -0.11 -0.04 -0.01 -0.09 -0.02 0.10 0.09 0.02 0.02 0.06 0.02 -0.02 0.01 0.02 0.04 -0.02 -0.03 -0.18 -0.13 -0.02 -0.20 -0.01 -0.03 -0.06 0.03 0.01 -0.09 0.06 0.02 -0.08 -0.01 -0.01 -0.07 0.00 -0.03 0.11 -0.02 -0.03 0.15 -0.01 -0.00 0.10 0.00 -0.01 0.11 -0.02 -0.01 0.05 0.01 -0.00 0.11 -0.08 0.09 -0.19 -0.07 0.10 -0.17 -0.06 0.07 -0.19 0.00 -0.04 -0.06 -0.03 -0.03 -0.07 0.01 -0.04 -0.03 0.10 -0.04 0.22 0.10 -0.02 0.16 0.09 -0.01 0.15 0.11 0.02 -0.04 0.20 0.08 -0.08 0.07 -0.00 -0.05 -0.08 -0.03 -0.07 -0.09 -0.03 -0.07 -0.02 0.09 -0.01 -0.08 -0.04 -0.00 -0.01 0.17 -0.09 0.01 -0.03 0.10 0.08 0.09 -0.02 0.01 0.03 0.01 0.05 -0.06 0.09 0.04 -0.05 0.09 0.12 0.12 -0.16 0.11 0.21 -0.14 0.01 -0.08 0.09 0.13 0.05 -0.13 0.05 0.09 0.02 0.00 0.07 0.03 0.04 0.06 0.00 0.04 0.07 0.03 -0.19 -0.05 0.20 -0.16 -0.10 0.12 -0.22 -0.11 0.24 -0.05 -0.10 0.04 -0.02 -0.14 0.02 -0.04 -0.02 0.06 -0.08 -0.17 0.03 -0.04 -0.10 -0.00 -0.02 -0.12 0.01 -0.03 0.03 0.03 -0.01 0.04 0.02 -0.01 0.02 0.04 0.05 -0.05 0.08 0.07 -0.07 0.08 0.04 -0.06 0.13 0.13 -0.06 -0.08 0.09 -0.05 -0.02 0.08 -0.10 -0.05 0.03 0.03 -0.16 -0.01 0.04 -0.16 0.04 0.01 -0.11 -0.08 0.10 0.05 -0.11 0.06 0.11 -0.05 0.09 0.03 0.02 0.06 -0.08 0.04 0.11 -0.10 0.04 0.05 -0.13 -0.08 0.04 -0.17 -0.06 0.04 -0.13 -0.01 -0.01 0.08 -0.07 0.02 -0.10 -0.01 -0.05 0.11 -0.08 -0.02 -0.05 0.01 0.02 -0.05 -0.00 0.12 -0.09 -0.17 0.04 -0.03 -0.15 0.02 -0.03 -0.05 0.08 -0.09 -0.09 0.16 -0.06 -0.08 0.08 -0.04 -0.01 0.06 -0.03 0.04 0.00 -0.05 0.06 -0.01 -0.06 0.03 0.03 -0.04 0.03 0.02 -0.06 0.09 -0.08 0.25 0.07 -0.12 0.11 0.15 -0.26 0.33 0.08 0.17 -0.02 0.08 0.17 -0.02 0.08 0.14 -0.04 0.05 -0.15 -0.09 0.10 -0.10 -0.10 0.05 -0.14 -0.09 -0.06 -0.04 0.02 -0.03 -0.03 0.01 -0.07 -0.04 0.03 -0.11 -0.01 0.01 -0.15 0.03 -0.01 -0.07 0.01 -0.03 0.04 0.02 0.04 -0.01 0.00 0.01 0.07 0.07 0.02 -0.08 -0.05 0.10 -0.08 -0.02 0.10 -0.08 -0.06 0.10 0.09 0.03 -0.07 0.05 -0.01 0.02 0.12 0.02 -0.08 0.17 -0.03 -0.09 0.18 -0.07 -0.08 0.07 -0.03 -0.01 -0.05 0.01 0.11 -0.03 0.02 0.08 -0.06 -0.03 -0.02 -0.04 -0.01 0.07 -0.05 -0.08 -0.13 -0.04 -0.06 0.00 0.02 0.11 0.09 0.01 -0.07 0.13 0.02 0.04 -0.02 -0.00 0.00 -0.01 -0.03 0.26 -0.14 -0.08 0.48 -0.08 0.04 0.06 -0.00 0.00 0.14 -0.04 0.04 0.06 0.16 0.02 -0.01 0.15 0.03 0.01 0.10 0.03 0.02 0.15 0.05 -0.05 -0.16 0.06 -0.03 -0.07 0.01 0.07 -0.21 0.03 0.06 0.06 -0.03 0.09 0.08 0.04 -0.02 0.09 0.06 0.01 0.07 0.04 -0.03 0.09 0.06 0.03 0.08 -0.06 -0.03 -0.07 -0.02 0.01 0.02 -0.08 0.05 -0.11 -0.07 0.08 -0.13 -0.05 0.08 -0.09 -0.06 0.09 -0.08 0.04 -0.03 0.08 -0.01 -0.04 0.08 0.05 -0.00 0.07 -0.06 -0.15 -0.07 -0.06 -0.11 -0.07 -0.07 -0.08 -0.09 0.06 -0.13 0.13 0.07 -0.11 0.04 0.06 -0.12 0.11 -0.02 -0.06 0.07 -0.04 0.02 0.05 -0.05 -0.10 0.00 -0.05 -0.02 -0.11 -0.04 -0.02 -0.06 -0.04 -0.07 -0.02 -0.05 -0.03 -0.11 -0.05 -0.09 0.00 -0.16 0.15 0.17 0.13 -0.08 -0.09 0.25 0.04 0.07 -0.12 0.08 0.16 -0.17 0.12 0.18 0.10 -0.10 0.04 0.15 -0.21 0.00 -0.08 0.08 0.09 0.08 0.02 -0.02 0.12 -0.05 -0.12 0.08 -0.01 -0.10 0.17 0.02 0.06 0.18 -0.03 -0.00 -0.05 0.00 -0.14 0.00 0.00 -0.04 -0.06 0.11 -0.20 -0.01 0.11 -0.05 -0.01 0.04 -0.09 -0.01 0.09 -0.06 0.09 -0.00 0.11 0.07 -0.01 0.11 0.13 0.03 0.10 -0.08 -0.14 0.02 -0.04 -0.13 -0.02 -0.03 -0.14 0.02 -0.02 -0.07 -0.01 -0.05 -0.01 0.05 0.01 -0.05 -0.09 0.07 0.12 -0.10 0.01 0.13 -0.05 0.05 0.12 -0.08 -0.03 -0.07 -0.05 -0.05 -0.07 -0.05 -0.02 -0.07 -0.03 -0.01 0.03 -0.07 -0.02 0.02 -0.08 0.01 0.01 -0.04 0.00 -0.00 0.04 -0.09 0.02 0.06 -0.00 -0.03 0.00 -0.09 -0.07 -0.05 -0.03 -0.05 -0.03 -0.12 0.04 0.11 -0.08 -0.12 -0.04 -0.11 0.01 -0.00 0.01 -0.06 -0.07 -0.02 -0.00 0.03 0.09 -0.13 0.00 -0.11 -0.08 -0.04 -0.07 -0.07 -0.06 -0.13 0.14 -0.06 -0.15 0.28 -0.03 -0.10 -0.07 -0.03 -0.11 0.07 -0.01 0.05 -0.03 -0.01 0.01 0.04 0.01 0.08 -0.12 -0.00 0.08 -0.11 -0.01 -0.15 0.14 -0.13 -0.06 0.11 -0.05 -0.25 0.27 -0.17 -0.01 -0.02 -0.00 0.03 -0.01 0.01 -0.01 0.08 0.01 0.10 0.04 0.02 0.11 0.07 0.00 0.09 0.02 0.01 0.03 -0.06 0.04 0.04 -0.06 0.02 0.03 -0.09 0.06 0.01 -0.15 0.09 -0.03 -0.13 0.03 0.03 -0.14 0.08 -0.10 -0.04 0.05 -0.08 -0.04 0.04 -0.07 -0.04 0.03 0.02 0.05 0.00 0.02 -0.01 0.01 0.02 -0.04 0.02 -0.00 0.19 0.06 -0.02 0.18 0.03 0.03 0.18 0.04 0.15 0.11 0.00 0.17 0.12 -0.01 0.12 0.10 0.01 0.06 -0.12 0.04 0.06 -0.12 0.03 0.03 -0.06 -0.02 0.05 -0.11 0.03 0.03 -0.02 -0.07 0.12 -0.02 -0.09 0.08 -0.06 -0.04 0.06 0.04 -0.11 -0.15 0.06 -0.04 -0.06 0.04 -0.07 -0.03 0.03 -0.05 -0.08 0.09 -0.01 -0.13 0.08 0.01 0.03 0.02 0.02 0.14 -0.12 -0.02 0.09 -0.15 -0.01 0.05 0.06 -0.13 0.08 0.00 -0.09 0.05 -0.01 -0.03 -0.01 0.03 -0.05 0.05 -0.01 -0.02 -0.07 0.13 0.13 -0.11 0.14 0.13 -0.07 0.02 0.10 -0.07 0.07 -0.04 -0.13 0.04 -0.06 -0.02 0.07 -0.06 0.16 -0.09 0.21 0.16 -0.10 0.17 0.14 -0.12 0.22 0.01 -0.01 0.21 -0.07 0.01 0.10 0.01 -0.01 0.04 0.07 0.02 0.06 0.08 0.01 0.02 0.02 0.05 0.08 -0.01 0.04 -0.08 -0.02 0.04 -0.08 0.00 0.03 -0.05 -0.06 -0.14 0.03 -0.02 -0.11 0.04 -0.09 -0.10 -0.01 -0.18 -0.03 -0.06 -0.14 -0.03 -0.08 -0.12 -0.02 -0.08 -0.03 0.03 -0.09 0.00 0.05 -0.11 0.17 -0.04 0.01 -0.02 -0.03 0.02 0.19 -0.05 -0.21 0.00 0.00 -0.10 0.00 0.02 -0.00 0.15 0.30 0.10 -0.00 -0.07 -0.08 0.01 -0.05 -0.08 -0.11 0.03 0.20 -0.10 -0.08 0.18 -0.02 -0.07 -0.07 -0.14 0.04 0.16 0.06 0.01 -0.05 0.06 0.03 -0.05 0.08 0.26 0.11 0.09 0.18 0.04 0.02 -0.02 0.07 0.03 -0.03 0.05 0.07 -0.07 0.08 -0.01 -0.07 -0.03 0.02 -0.04 -0.00 -0.01 -0.04 -0.05 0.07 -0.04 0.05 0.09 -0.06 0.08 0.08 0.04 0.07 0.01 -0.02 -0.04 0.04 -0.01 -0.07 0.02 -0.04 -0.02 0.08 -0.13 0.01 0.05 -0.12 -0.02 0.12 -0.11 0.06 -0.23 0.02 0.09 -0.16 0.02 0.05 -0.18 0.02 0.06 0.06 -0.12 -0.09 0.02 -0.00 -0.10 0.07 -0.13 -0.05 -0.00 -0.00 -0.04 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 0.05 -0.06 0.04 -0.01 -0.01 0.04 0.08 -0.09 -0.03 -0.11 0.19 -0.15 -0.06 0.21 -0.09 0.02 -0.01 -0.07 -0.09 0.13 -0.09 0.01 0.11 -0.02 -0.00 -0.07 -0.10 -0.12 0.08 -0.08 -0.01 -0.16 0.17 -0.05 0.03 -0.09 -0.01 -0.00 -0.10 0.03 -0.09 -0.04 -0.03 -0.16 -0.03 -0.03 0.05 -0.06 0.05 -0.10 -0.01 -0.19 0.12 -0.06 -0.13 0.09 -0.08 -0.05 -0.11 0.13 -0.10 -0.04 0.08 0.04 0.02 -0.01 0.08 0.02 0.05 0.15 0.01 -0.04 0.05 0.11 0.01 0.08 0.11 0.01 0.04 0.08 -0.04 0.08 0.03 0.09 0.09 0.00 0.12 0.01 0.00 0.12 -0.08 0.18 0.11 -0.12 0.15 0.05 -0.04 0.14 0.13 0.06 0.03 0.24 -0.01 0.02 0.09 0.11 0.05 0.32 0.09 -0.05 0.02 0.07 -0.07 -0.02 0.08 0.00 0.02 0.04 -0.13 -0.10 0.00 -0.12 -0.10 0.05 -0.09 -0.05 0.00 0.04 -0.16 -0.01 0.03 -0.15 0.01 0.01 -0.09 0.02 -0.04 0.08 -0.12 -0.00 0.12 0.04 -0.06 0.01 -0.04 -0.07 -0.12 -0.08 -0.10 -0.07 -0.03 0.05 -0.02 -0.05 -0.02 -0.05 -0.03 -0.05 -0.04 0.01 -0.02 -0.05 -0.02 -0.02 0.01 0.08 0.07 0.13 0.06 -0.03 -0.04 0.05 -0.02 -0.04 -0.05 -0.03 0.05 -0.04 -0.06 0.04 0.10 -0.02 -0.07 -0.06 -0.02 0.03 -0.01 -0.03 0.00 0.03 -0.05 -0.01 0.06 -0.00 0.16 0.05 -0.01 0.09 -0.03 -0.22 -0.13 -0.00 -0.20 -0.03 -0.12 -0.06 -0.19 0.12 -0.01 -0.10 0.13 0.02 -0.09 0.12 -0.01 -0.10 0.00 -0.18 0.13 -0.00 -0.11 0.07 0.07 -0.16 0.10 0.02 -0.00 0.11 0.01 -0.01 0.11 0.01 0.01 0.09 -0.08 0.14 0.08 -0.04 0.08 0.03 -0.17 0.09 -0.02 -0.07 -0.01 0.03 -0.06 -0.02 0.01 -0.01 -0.00 -0.01 -0.08 0.25 -0.03 -0.08 0.20 -0.03 -0.08 0.23 -0.02 0.13 -0.03 -0.04 0.10 -0.05 -0.04 0.12 -0.00 -0.12 -0.06 0.16 -0.15 -0.14 0.13 -0.11 -0.08 0.16 -0.12 -0.03 -0.00 0.01 -0.00 0.00 0.09 0.02 -0.00 0.01 -0.02 -0.03 0.03 0.02 0.08 0.02 -0.07 -0.12 -0.01 -0.03 -0.15 -0.01 -0.05 0.18 0.08 0.09 0.15 -0.06 0.03 0.11 -0.03 -0.07 -0.08 -0.18 -0.08 0.06 -0.15 0.06 0.13 -0.05 -0.03 -0.10 -0.13 -0.04 -0.15 0.01 -0.06 -0.13 0.02 -0.09 0.12 0.09 -0.06 0.04 0.06 -0.03 0.02 -0.02 -0.03 0.02 -0.01 -0.08 0.05 -0.02 -0.03 0.11 -0.06 -0.08 0.16 -0.04 -0.02 0.08 -0.02 -0.01 0.02 0.01 0.02 -0.00 0.05 -0.04 0.05 0.04 -0.07 -0.16 0.04 -0.05 -0.15 0.03 -0.00 -0.13 0.03 0.20 0.02 -0.03 0.15 0.07 -0.04 0.23 0.04 -0.10 0.03 -0.11 -0.05 -0.02 -0.12 -0.05 0.04 -0.06 -0.05 0.20 0.09 0.06 0.13 0.09 0.05 0.21 0.09 0.11 0.00 0.02 0.05 0.00 0.02 0.05 0.00 0.02 0.03 0.04 0.01 0.06 0.05 -0.02 0.06 0.12 0.03 0.05 -0.15 0.06 0.07 -0.12 0.08 0.08 -0.06 -0.13 0.01 -0.14 0.01 0.10 -0.05 -0.15 -0.06 -0.11 -0.14 0.01 0.10 0.14 -0.01 0.14 -0.08 -0.17 0.13 0.09 -0.06 0.06 0.05 -0.04 0.11 0.14 0.15 0.14 0.03 0.12 0.09 0.07 -0.06 0.04 0.06 0.09 0.16 0.12 -0.05 0.14 0.12 -0.05 0.16 -0.05 -0.18 0.16 -0.03 -0.15 -0.00 0.02 0.03 -0.02 0.02 0.01 0.04 -0.03 0.05 -0.07 -0.01 -0.13 -0.07 0.05 -0.09 -0.06 -0.02 -0.12 -0.03 0.02 -0.02 -0.07 0.02 -0.04 0.03 0.01 -0.05 -0.14 -0.04 0.11 -0.05 0.01 0.11 -0.07 0.03 0.08 0.05 0.19 0.07 0.06 0.16 0.02 0.02 0.18 0.06 -0.16 -0.15 -0.01 -0.19 -0.16 -0.01 -0.15 -0.12 -0.02 0.04 -0.02 0.03 0.02 -0.08 0.04 0.04 0.06 0.04 -0.05 -0.01 -0.05 -0.04 -0.01 -0.03 -0.05 -0.02 0.01 -0.05 -0.05 0.03 0.00 -0.07 0.02 -0.03 -0.04 0.05 -0.04 -0.12 0.05 -0.02 -0.09 -0.04 -0.10 -0.11 0.06 -0.04 -0.12 0.05 -0.11 0.00 0.12 0.02 -0.03 0.05 -0.02 0.01 -0.02 -0.01 0.11 0.10 -0.01 0.06 0.03 0.01 0.04 0.03 0.01 -0.04 -0.01 -0.00 -0.07 -0.01 -0.06 0.04 0.07 0.01 -0.05 -0.01 -0.04 0.00 0.02 -0.10 -0.03 0.03 0.05 0.01 0.16 0.04 0.01 0.15 0.01 0.14 0.01 0.10 0.08 0.03 0.10 0.09 0.01 -0.18 -0.04 0.06 -0.19 -0.04 0.06 -0.18 -0.07 0.06 0.33 -0.02 -0.05 0.27 -0.02 -0.09 0.29 -0.08 -0.05 0.00 0.03 0.01 -0.00 0.03 0.02 -0.00 0.04 0.00 -0.03 0.09 -0.01 -0.01 0.08 0.01 -0.05 0.08 -0.02 -0.03 -0.06 -0.03 -0.01 -0.05 -0.02 -0.09 -0.08 0.00 -0.02 0.04 0.01 -0.03 0.07 0.01 -0.02 0.06 0.02 -0.14 -0.07 0.02 -0.10 -0.02 -0.02 -0.14 -0.03 -0.08 0.01 -0.12 -0.30 0.00 -0.19 -0.28 -0.01 -0.08 -0.21 0.02 0.02 0.03 0.03 0.01 0.10 0.01 -0.02 0.04 0.02 0.02 0.01 0.01 -0.04 0.06 0.17 -0.03 0.09 -0.03 -0.11 -0.02 0.05 0.05 0.00 0.08 0.05 0.07 0.10 0.04 0.07 -0.10 -0.11 -0.08 -0.10 -0.06 -0.07 0.10 0.05 0.06 -0.09 -0.10 -0.07 0.01 -0.13 -0.05 0.01 -0.08 -0.04 -0.01 0.06 -0.01 0.01 0.00 -0.04 -0.09 0.06 0.02 -0.06 0.04 0.00 -0.13 0.06 0.04 0.01 -0.02 -0.11 0.02 -0.02 -0.11 0.01 0.04 -0.09 -0.00 0.01 -0.02 0.05 0.01 0.02 -0.02 0.05 0.00 0.15 -0.02 0.10 0.13 -0.03 0.11 0.11 0.00 0.09 -0.15 0.25 0.01 -0.09 0.21 0.04 -0.24 0.21 -0.13 -0.06 -0.08 -0.04 0.01 -0.06 -0.03 -0.02 -0.11 -0.06 -0.15 -0.22 -0.01 -0.12 -0.14 -0.02 -0.17 -0.08 -0.05 0.01 0.11 0.00 -0.01 0.08 0.03 0.03 0.08 0.05 0.13 -0.00 0.11 0.09 0.07 0.10 0.01 -0.07 0.08 0.01 0.06 -0.09 0.02 0.06 -0.07 0.18 -0.04 0.09 0.01 0.04 -0.04 0.18 -0.01 0.09 -0.09 0.13 -0.18 0.04 -0.06 -0.04 0.05 0.03 -0.02 0.21 -0.10 -0.17 0.17 -0.10 -0.15 -0.03 -0.03 -0.03 -0.05 -0.02 -0.02 0.13 -0.12 -0.11 0.03 0.06 -0.00 0.03 -0.06 -0.04 0.01 -0.04 -0.03 0.04 0.00 -0.01 0.05 -0.03 -0.03 -0.07 0.07 0.02 -0.03 0.04 0.01 -0.07 0.05 0.03 0.05 -0.15 0.20 0.07 -0.14 0.21 0.05 -0.11 0.18 0.04 0.00 -0.01 0.04 0.00 -0.01 0.05 0.00 -0.01 -0.06 -0.08 0.07 -0.06 -0.09 0.08 -0.04 -0.05 0.06 -0.02 0.13 0.01 0.04 0.04 -0.03 -0.12 0.07 -0.02 0.13 0.20 0.03 0.08 0.18 0.02 0.08 0.18 0.05 -0.05 -0.05 0.04 -0.08 -0.06 0.04 -0.05 0.02 0.06 -0.05 0.04 -0.00 -0.04 0.04 0.01 -0.04 0.03 0.01 0.03 -0.03 0.00 0.03 -0.04 0.00 -0.01 -0.03 0.02 -0.16 -0.06 0.04 -0.11 -0.04 0.02 -0.06 0.13 -0.12 -0.15 -0.11 0.06 -0.10 0.34 0.00 -0.07 0.04 0.02 0.02 -0.03 -0.01 0.02 0.03 -0.01 -0.02 -0.00 -0.06 0.06 -0.03 -0.09 0.00 -0.04 -0.04 -0.01 -0.02 -0.03 -0.01 0.02 -0.01 0.01 -0.05 -0.03 0.02 -0.03 -0.00 0.01 -0.02 -0.00 0.02 0.02 -0.01 0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.03 0.01 -0.02 0.03 0.01 -0.00 0.02 0.02 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.03 -0.02 -0.02 -0.01 0.01 -0.00 0.05 0.00 -0.07 0.02 -0.11 -0.10 0.03 0.01 -0.02 0.02 -0.02 -0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.02 -0.02 0.01 -0.01 0.04 0.01 -0.01 0.03 0.01 -0.00 0.02 0.00 0.01 -0.01 0.02 0.02 -0.02 -0.01 0.01 -0.01 0.08 0.02 -0.01 0.07 0.01 -0.00 -0.08 0.06 0.04 0.08 0.04 -0.03 -0.16 0.67 0.64 -0.09 -0.01 -0.01 0.00 -0.00 -0.05 0.11 0.00 -0.04 -0.11 0.02 0.02 -0.11 0.02 0.02 -0.04 -0.08 -0.05 -0.06 -0.11 -0.05 -0.17 0.01 0.05 -0.03 -0.05 -0.05 0.01 -0.00 -0.06 0.00 -0.00 -0.06 0.07 0.02 -0.05 0.07 0.01 -0.08 0.15 -0.12 -0.05 0.07 -0.05 -0.02 0.14 -0.07 -0.08 -0.17 -0.15 0.17 -0.14 -0.19 0.15 -0.18 -0.12 0.17 -0.03 -0.01 0.03 -0.01 0.00 0.04 -0.01 0.01 0.03 -0.06 0.07 0.00 -0.04 0.08 -0.01 -0.04 0.07 -0.00 -0.04 0.12 0.01 -0.03 0.12 0.01 -0.07 0.11 -0.02 -0.04 0.00 -0.05 -0.00 0.02 -0.03 -0.11 -0.04 -0.01 0.09 0.07 -0.03 0.08 0.05 -0.02 0.09 0.09 -0.02 0.01 -0.02 0.04 0.01 -0.01 0.03 0.02 -0.05 0.07 0.18 0.08 0.10 0.33 0.14 0.04 0.17 0.06 0.08 0.07 0.02 -0.05 0.06 0.02 -0.06 -0.10 -0.00 -0.02 0.07 0.04 -0.04 -0.06 -0.29 -0.27 -0.17 -0.03 -0.01 0.02 -0.03 0.01 0.02 0.10 -0.02 0.08 -0.02 0.01 -0.08 0.01 0.07 -0.06 -0.05 -0.01 -0.07 -0.03 -0.01 0.09 -0.04 -0.08 -0.03 -0.01 0.00 0.02 -0.04 0.01 0.01 -0.03 0.01 0.02 0.06 -0.00 0.03 0.03 -0.01 -0.05 0.04 0.02 -0.04 0.03 0.00 -0.09 0.05 0.03 0.06 0.02 -0.04 0.02 0.09 -0.01 0.07 0.01 -0.00 -0.01 0.01 -0.00 -0.03 0.01 -0.01 0.02 0.02 -0.01 -0.06 0.01 -0.03 -0.02 0.04 -0.04 -0.03 0.02 -0.04 0.03 0.02 0.11 0.03 -0.02 0.03 0.03 0.02 0.21 0.02 0.04 0.01 0.02 0.04 0.01 0.05 0.04 -0.00 -0.05 -0.06 -0.03 0.00 -0.02 -0.03 -0.06 -0.05 -0.07 0.01 -0.01 0.08 0.01 -0.01 0.06 0.00 0.01 0.04 -0.06 -0.01 -0.05 -0.05 0.01 -0.06 -0.07 -0.01 -0.06 0.21 0.05 -0.00 0.17 0.02 0.02 -0.17 -0.06 -0.04 0.21 0.10 -0.08 -0.10 -0.54 -0.51 -0.10 0.01 -0.02 0.01 -0.02 0.01 -0.08 0.02 0.07 -0.19 -0.06 0.01 -0.13 -0.04 -0.01 0.02 0.06 0.05 0.00 0.08 0.06 -0.12 -0.02 -0.01 0.03 0.05 0.07 0.01 -0.03 0.02 0.02 -0.04 0.03 -0.09 0.03 0.06 -0.09 0.02 0.07 -0.09 0.07 0.03 -0.03 0.01 -0.03 -0.06 -0.01 0.07 0.09 -0.11 -0.08 0.13 -0.31 -0.20 0.09 -0.07 -0.10 0.03 -0.01 -0.08 0.07 -0.05 -0.02 -0.04 0.02 -0.04 0.01 -0.07 0.08 0.04 -0.06 0.08 0.03 -0.04 0.06 -0.09 0.14 -0.05 -0.09 0.16 -0.03 -0.18 0.09 -0.32 0.09 -0.01 0.08 -0.00 -0.03 0.08 0.13 0.03 0.06 0.21 0.07 -0.05 0.20 0.04 -0.05 0.21 0.14 -0.06 -0.00 -0.01 -0.08 0.01 -0.01 -0.06 -0.02 -0.01 -0.03 -0.04 -0.09 0.07 -0.18 -0.13 0.13 0.07 -0.06 0.06 0.11 0.01 -0.05 0.08 -0.02 -0.01 -0.06 -0.02 0.04 0.11 0.03 0.00 -0.06 0.12 0.02 -0.01 -0.01 0.01 0.01 -0.05 -0.03 -0.15 0.17 0.17 0.05 0.05 -0.03 0.04 0.02 -0.02 0.14 0.15 0.06 0.21 0.12 0.03 -0.02 0.03 0.02 0.07 0.10 -0.00 0.01 -0.04 -0.03 0.01 -0.01 -0.01 -0.19 0.07 0.21 -0.21 0.04 0.15 0.10 -0.04 -0.04 0.02 0.02 -0.05 0.15 -0.07 -0.04 -0.09 -0.02 0.12 -0.01 0.02 0.16 -0.11 0.01 0.05 -0.13 0.01 -0.05 -0.06 0.02 -0.01 -0.20 0.04 -0.02 0.01 -0.20 0.02 0.07 -0.18 0.01 0.07 -0.16 -0.00 0.04 0.01 0.06 0.03 0.00 0.01 0.02 -0.00 -0.04 -0.05 0.01 -0.07 -0.06 0.02 -0.05 -0.12 -0.01 -0.03 -0.08 -0.10 -0.08 -0.05 -0.09 -0.08 -0.09 -0.09 -0.09 -0.01 0.10 -0.18 -0.03 0.07 -0.10 0.00 0.07 -0.14 0.06 0.08 -0.06 0.02 0.11 -0.06 -0.01 0.05 -0.08 0.17 -0.07 0.07 0.12 -0.12 0.15 0.04 -0.08 0.03 0.16 -0.03 -0.04 0.04 0.06 0.00 0.08 -0.01 -0.01 -0.01 0.03 -0.01 0.05 0.24 -0.04 -0.09 0.04 0.00 -0.01 0.03 -0.03 -0.07 -0.03 0.01 -0.13 -0.04 0.04 -0.09 0.05 0.03 -0.02 -0.00 0.07 -0.01 0.02 -0.02 -0.01 0.02 -0.02 0.04 0.10 0.02 0.06 0.04 -0.03 0.02 0.03 -0.01 -0.03 0.08 0.03 0.02 0.06 -0.03 0.01 -0.08 -0.10 -0.02 -0.32 -0.25 0.01 -0.06 -0.07 -0.14 0.05 0.10 -0.19 0.09 0.05 -0.03 0.05 0.05 -0.04 0.06 -0.01 -0.05 0.05 -0.00 -0.03 0.06 -0.01 0.02 0.03 -0.03 0.00 0.07 -0.00 0.09 0.06 0.03 0.10 0.02 0.07 0.08 0.01 0.05 0.13 0.04 0.05 0.07 -0.13 -0.12 0.00 -0.15 -0.13 0.08 -0.07 -0.06 0.00 -0.03 0.06 0.01 -0.02 0.03 -0.00 -0.02 0.04 0.02 0.02 -0.15 0.34 0.11 -0.28 0.02 0.02 -0.18 -0.03 -0.13 0.19 -0.03 -0.12 0.13 0.06 0.04 -0.00 -0.04 -0.10 0.06 0.04 0.06 0.10 -0.02 0.00 0.03 -0.03 -0.03 -0.03 0.02 -0.23 0.08 -0.01 0.12 -0.07 -0.01 0.10 -0.07 -0.02 0.07 0.08 -0.09 0.08 0.11 -0.09 0.10 -0.02 0.02 0.07 0.15 -0.01 -0.04 -0.03 -0.02 -0.03 -0.03 -0.02 -0.11 0.02 -0.04 -0.06 0.02 0.01 0.01 -0.01 0.01 0.03 0.02 0.08 0.01 -0.03 -0.07 -0.11 -0.12 -0.12 -0.42 -0.32 -0.07 -0.10 -0.09 -0.03 0.00 0.04 -0.03 0.03 0.02 -0.04 -0.04 0.03 0.03 -0.07 -0.08 0.03 -0.06 -0.08 0.04 -0.06 -0.09 0.08 0.00 0.08 0.03 0.01 0.01 0.14 0.03 0.16 0.17 0.01 0.10 0.08 -0.01 0.10 0.18 0.04 0.10 -0.12 0.04 0.13 -0.09 0.09 0.14 -0.13 -0.03 0.10 -0.03 -0.04 -0.02 -0.02 -0.02 -0.04 -0.04 -0.04 -0.00 0.07 0.01 -0.02 0.24 0.01 -0.07 0.01 0.02 0.05 -0.02 0.11 -0.12 -0.01 0.12 -0.07 -0.03 -0.03 -0.03 -0.01 0.07 -0.08 -0.04 -0.04 0.02 -0.06 0.02 -0.01 0.00 0.01 -0.05 0.08 -0.16 0.11 0.04 -0.07 0.02 -0.02 -0.05 0.05 0.04 0.02 -0.01 0.04 -0.04 -0.02 0.10 -0.07 -0.04 0.02 -0.01 -0.03 0.00 -0.00 -0.02 -0.00 -0.04 -0.03 0.01 -0.06 0.05 -0.01 -0.02 0.03 -0.04 0.12 0.00 -0.05 0.14 0.04 0.12 0.04 -0.00 0.04 0.08 0.02 0.02 0.28 0.14 0.04 -0.00 -0.00 -0.15 0.04 0.10 -0.18 0.08 0.06 -0.10 0.01 0.06 0.04 0.02 0.06 0.02 0.01 0.05 0.01 0.00 0.08 -0.06 -0.02 -0.05 -0.03 -0.03 -0.02 -0.12 -0.05 -0.16 -0.05 -0.03 -0.01 -0.05 -0.03 -0.01 -0.05 -0.02 -0.01 0.04 0.02 0.04 0.05 0.05 0.05 0.04 0.02 0.03 -0.02 -0.13 -0.05 -0.00 -0.11 -0.09 -0.04 -0.14 -0.00 0.12 -0.05 -0.08 0.61 -0.01 -0.26 0.11 -0.02 -0.02 -0.00 0.04 -0.06 0.00 0.05 -0.04 -0.04 0.01 0.02 0.00 0.02 0.03 -0.02 -0.03 -0.10 -0.11 0.10 0.01 -0.01 -0.01 0.08 -0.22 -0.15 -0.18 -0.04 0.03 -0.03 -0.10 0.05 -0.01 0.06 -0.00 -0.04 0.10 0.11 -0.03 -0.06 0.02 -0.06 0.04 -0.06 -0.05 -0.03 0.00 0.08 0.00 0.01 0.08 -0.07 -0.08 -0.18 -0.06 -0.01 -0.05 -0.01 -0.11 -0.01 0.04 -0.09 0.14 -0.06 0.09 -0.10 0.03 -0.07 0.05 0.12 -0.05 0.08 0.02 0.02 0.01 0.09 0.07 0.23 -0.03 0.08 0.14 0.13 -0.05 0.18 0.12 -0.03 0.05 0.08 -0.06 0.06 0.07 -0.05 0.06 0.04 0.02 -0.04 0.01 0.05 -0.04 0.03 0.02 -0.20 -0.05 -0.10 0.04 -0.05 -0.10 0.06 -0.03 -0.10 0.03 0.04 -0.14 -0.02 0.04 -0.04 -0.03 0.04 -0.08 -0.02 0.03 0.12 -0.08 -0.01 0.08 -0.00 0.06 0.12 -0.10 -0.04 0.01 -0.13 -0.12 -0.00 -0.10 -0.05 0.01 -0.15 -0.03 0.17 0.09 -0.02 0.20 -0.04 -0.08 0.01 0.01 -0.03 0.12 0.11 -0.02 -0.13 -0.29 -0.09 0.20 0.09 0.05 -0.01 -0.02 0.17 -0.03 0.17 0.00 0.02 -0.11 -0.11 0.08 -0.08 0.04 -0.02 -0.04 -0.01 0.03 -0.02 -0.03 -0.01 -0.18 0.06 -0.10 -0.00 0.04 -0.01 -0.02 0.02 0.00 -0.01 0.06 0.01 0.12 0.04 -0.02 0.05 0.05 0.04 -0.01 -0.01 0.06 -0.10 0.01 -0.02 0.03 -0.01 -0.04 -0.02 -0.00 0.14 0.10 -0.01 -0.01 0.01 -0.08 -0.05 -0.15 0.00 -0.06 -0.09 -0.12 0.02 -0.12 0.16 0.11 -0.03 0.03 0.05 -0.01 0.07 0.06 -0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.06 0.01 -0.01 -0.00 -0.02 -0.16 0.11 0.01 -0.15 0.14 0.00 -0.18 0.11 -0.01 -0.00 -0.01 -0.04 -0.03 -0.01 -0.01 -0.00 0.01 0.00 0.04 0.02 0.01 0.05 0.03 -0.01 0.05 0.01 -0.03 0.01 0.03 -0.16 -0.01 0.07 -0.03 0.00 0.02 -0.09 -0.08 0.03 -0.05 -0.06 0.05 -0.10 0.11 -0.03 -0.09 -0.12 0.07 -0.02 -0.38 -0.46 0.01 0.06 0.12 -0.06 0.02 -0.05 -0.18 0.28 -0.19 0.09 -0.02 -0.16 -0.01 -0.01 -0.12 -0.02 0.05 0.05 -0.10 -0.03 0.07 0.06 -0.04 -0.17 0.00 0.03 0.10 -0.04 0.01 -0.05 -0.04 -0.02 -0.06 -0.08 0.08 -0.07 -0.06 0.04 -0.06 -0.04 -0.07 0.02 0.01 -0.10 0.05 0.02 -0.08 -0.00 -0.09 0.03 -0.07 -0.18 0.19 0.01 -0.08 -0.03 -0.01 0.12 0.04 0.04 0.09 0.02 0.03 0.11 0.01 0.05 -0.03 0.03 0.17 -0.02 0.03 0.11 0.00 0.01 0.19 -0.05 -0.12 -0.08 -0.06 -0.14 -0.11 -0.14 -0.16 -0.32 0.10 -0.02 0.03 0.09 -0.01 0.06 0.07 -0.03 0.06 -0.04 0.05 -0.06 0.00 0.00 -0.05 -0.04 -0.00 -0.09 -0.05 -0.08 -0.00 -0.04 -0.08 -0.02 -0.05 -0.10 0.03 0.06 0.05 0.07 0.15 0.11 0.03 0.04 0.02 0.04 0.07 -0.06 0.00 0.03 -0.10 0.02 0.02 0.05 0.12 0.06 -0.02 0.04 0.05 -0.21 -0.13 -0.09 -0.08 -0.14 -0.00 0.02 -0.00 0.16 -0.21 0.16 0.08 0.04 0.11 0.01 -0.01 0.14 -0.05 -0.01 0.02 -0.09 -0.01 0.03 0.03 0.02 0.13 -0.02 0.02 0.06 0.01 0.02 -0.01 -0.01 0.04 -0.00 0.06 -0.06 0.07 0.03 -0.02 0.03 0.13 -0.03 -0.04 0.03 0.03 -0.06 0.01 0.04 -0.05 -0.08 0.00 -0.05 -0.10 -0.21 -0.18 -0.07 0.05 -0.01 -0.07 -0.04 -0.07 -0.02 -0.04 -0.04 -0.09 -0.01 -0.06 0.01 0.09 0.24 -0.00 0.08 0.17 -0.02 0.03 0.28 -0.00 -0.11 -0.17 0.02 -0.06 -0.02 -0.02 -0.12 -0.36 0.08 0.02 0.02 -0.02 -0.01 -0.01 0.08 0.08 0.02 -0.02 -0.06 0.03 0.04 0.00 0.03 -0.02 -0.07 -0.03 -0.04 0.15 0.05 -0.05 0.14 0.09 -0.01 0.16 0.00 -0.05 -0.00 -0.04 -0.23 -0.05 0.03 -0.05 0.00 -0.04 0.04 0.07 -0.03 0.04 0.07 -0.03 -0.06 0.00 0.05 0.04 0.06 0.09 -0.06 0.20 0.04 -0.15 -0.01 -0.24 -0.01 -0.09 -0.09 -0.16 0.24 -0.12 0.08 -0.01 0.26 0.02 0.00 0.29 0.07 0.08 0.04 0.04 0.06 0.04 0.09 -0.02 0.20 0.06 0.02 0.05 0.01 -0.09 -0.09 -0.01 -0.08 -0.09 -0.10 0.04 -0.03 -0.08 -0.02 -0.04 -0.05 -0.06 0.02 -0.00 -0.10 0.04 -0.01 -0.07 0.01 -0.06 0.05 -0.05 -0.13 -0.05 -0.12 -0.06 -0.01 -0.03 0.11 0.04 0.02 0.09 0.02 0.02 0.07 0.01 0.03 0.20 0.10 -0.11 0.05 0.02 -0.09 0.06 0.00 -0.06 -0.01 0.01 0.05 0.04 -0.00 0.12 -0.03 0.00 0.09 0.04 -0.07 0.05 -0.08 -0.11 0.02 0.04 0.02 0.05 -0.03 0.03 -0.07 -0.07 -0.03 -0.08 -0.02 0.03 -0.03 -0.04 -0.09 0.01 -0.03 -0.08 -0.00 -0.05 -0.09 0.03 0.05 0.05 0.07 0.10 0.13 0.03 0.03 0.02 0.02 -0.07 -0.09 0.07 -0.08 -0.09 0.07 -0.16 0.01 -0.17 -0.08 -0.08 0.06 -0.14 0.25 -0.05 -0.00 0.05 -0.11 0.06 0.10 0.08 -0.07 0.15 -0.07 -0.03 0.18 0.06 -0.03 0.13 0.07 0.03 -0.11 -0.11 0.04 -0.03 -0.10 -0.08 0.17 0.11 0.04 -0.12 -0.11 0.01 0.09 0.13 0.06 0.00 0.12 0.02 0.08 -0.02 0.04 0.08 0.03 -0.12 0.07 0.03 -0.03 0.00 -0.01 0.05 -0.10 0.08 0.05 -0.10 0.05 0.12 -0.39 -0.12 0.03 -0.12 -0.04 0.01 -0.00 -0.02 0.01 0.01 -0.03 0.05 0.02 -0.03 -0.04 -0.02 0.11 -0.00 0.01 0.14 -0.02 0.04 0.08 0.10 -0.07 -0.10 0.06 0.01 0.00 0.26 0.01 0.08 -0.09 -0.04 0.07 -0.06 -0.05 0.03 -0.04 -0.01 0.04 -0.14 0.03 0.04 -0.08 0.00 0.06 -0.14 -0.07 0.00 0.07 -0.12 -0.13 0.10 -0.11 -0.16 0.04 -0.13 -0.06 0.02 0.06 0.04 0.09 0.09 0.01 -0.04 0.04 0.05 0.06 -0.08 -0.06 0.06 -0.09 -0.01 0.05 0.03 0.01 0.06 -0.08 -0.02 0.08 0.11 -0.17 -0.03 -0.09 0.05 -0.00 -0.03 -0.06 0.13 -0.37 0.15 -0.01 0.07 -0.05 -0.01 0.01 -0.05 0.00 0.04 0.03 0.01 -0.08 0.01 -0.02 0.08 -0.00 -0.02 0.07 0.00 0.02 -0.05 -0.05 0.03 -0.09 -0.06 0.03 -0.15 0.02 -0.01 -0.08 0.01 -0.09 0.11 0.02 -0.01 0.04 -0.04 0.02 -0.04 0.08 0.02 -0.03 0.05 0.01 -0.08 0.02 0.01 -0.10 0.02 0.02 -0.07 -0.09 0.12 -0.06 -0.04 -0.06 -0.04 -0.05 0.02 0.06 0.04 0.01 0.06 0.01 -0.01 0.02 0.06 0.02 -0.03 -0.02 -0.02 -0.00 -0.03 0.05 -0.01 -0.05 -0.01 0.05 -0.07 -0.02 0.06 -0.06 -0.03 0.04 -0.06 -0.02 -0.05 -0.19 -0.04 -0.00 -0.21 -0.01 -0.06 -0.16 0.07 -0.17 -0.02 0.12 -0.12 -0.09 0.01 -0.14 -0.02 0.01 0.13 0.08 -0.20 0.29 0.11 -0.02 0.05 -0.07 -0.04 0.19 0.21 -0.03 0.23 0.08 -0.06 -0.04 0.03 -0.04 0.17 0.10 -0.08 -0.06 0.15 -0.01 -0.08 0.05 0.05 -0.14 -0.13 -0.03 0.08 0.05 -0.07 0.08 -0.06 -0.04 0.03 -0.07 0.06 0.07 0.03 0.11 -0.04 -0.01 -0.07 0.10 -0.00 0.00 0.07 -0.04 0.11 -0.16 -0.16 0.08 -0.12 -0.16 -0.10 -0.01 0.07 -0.10 -0.09 0.01 -0.07 -0.10 0.05 -0.06 -0.13 0.05 -0.38 0.10 0.02 0.11 -0.07 0.07 0.18 -0.14 0.04 0.10 -0.01 0.04 0.03 0.15 -0.01 -0.02 0.10 0.00 -0.04 0.09 0.01 -0.02 0.19 0.06 -0.05 0.19 0.00 -0.02 0.15 0.09 0.05 -0.01 -0.08 0.00 0.05 -0.04 0.21 0.07 0.16 -0.07 0.04 -0.07 -0.03 0.05 -0.05 -0.06 0.00 -0.08 -0.02 -0.02 0.12 0.00 -0.01 0.12 -0.02 -0.05 0.09 0.07 0.00 0.09 0.05 -0.02 0.14 0.08 0.03 0.00 -0.03 -0.02 -0.07 -0.02 -0.09 -0.06 -0.04 0.01 -0.01 -0.01 -0.06 -0.10 -0.10 -0.13 -0.00 -0.07 0.02 0.04 -0.03 0.04 -0.01 -0.08 -0.12 0.12 -0.14 -0.19 0.11 0.03 0.03 0.19 -0.09 0.17 -0.11 0.01 0.01 -0.08 -0.02 -0.06 -0.06 -0.13 -0.03 0.06 -0.06 0.11 0.06 -0.02 0.02 -0.00 -0.11 0.09 0.05 0.04 0.01 0.18 0.07 -0.00 0.19 0.01 0.08 -0.04 0.05 0.05 0.03 0.00 0.05 -0.01 0.01 0.06 -0.01 0.12 -0.02 -0.01 -0.03 0.01 0.05 0.00 -0.13 -0.04 -0.04 0.01 0.00 -0.03 -0.04 0.04 -0.03 -0.02 0.02 0.04 -0.01 0.02 0.25 0.09 -0.02 0.10 0.03 0.09 0.06 0.08 -0.02 -0.03 -0.02 -0.01 -0.04 -0.04 -0.05 0.05 0.02 0.23 0.07 0.09 -0.14 -0.02 0.08 -0.11 0.01 0.09 -0.11 0.01 0.02 0.03 0.00 -0.02 0.03 0.01 -0.00 0.03 0.02 0.04 -0.15 0.02 0.02 -0.11 0.02 0.02 -0.10 0.01 -0.02 -0.01 -0.06 -0.08 0.03 0.02 -0.01 0.03 -0.04 -0.11 -0.03 -0.01 -0.09 -0.02 -0.23 -0.13 -0.01 -0.04 -0.15 0.08 -0.27 -0.14 0.31 -0.01 -0.01 0.01 0.04 0.07 0.08 0.26 -0.37 0.28 0.02 -0.04 -0.00 0.01 -0.03 0.00 -0.05 -0.06 -0.02 -0.07 0.01 0.00 0.01 -0.04 -0.01 -0.02 -0.02 0.01 0.03 0.06 0.10 0.03 0.04 0.10 0.09 -0.03 0.09 0.07 0.01 0.09 -0.10 -0.21 0.05 -0.11 -0.26 -0.02 -0.11 -0.28 0.08 -0.04 0.02 -0.02 -0.05 0.03 -0.02 -0.04 0.02 -0.02 0.03 0.26 -0.14 -0.04 0.15 -0.09 -0.08 0.22 -0.10 0.02 -0.04 -0.02 0.03 -0.03 0.03 -0.01 -0.00 -0.04 -0.02 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.12 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.02 0.02 0.03 -0.01 -0.03 0.01 -0.00 -0.03 0.03 0.00 -0.01 -0.02 0.01 -0.08 -0.08 -0.06 -0.01 0.01 -0.05 -0.01 0.01 0.01 -0.01 0.34 0.07 -0.14 0.03 0.01 -0.02 -0.01 0.03 0.04 0.04 0.07 -0.02 -0.00 -0.03 -0.01 -0.00 -0.02 0.02 -0.01 0.00 0.02 0.03 0.04 -0.01 0.09 -0.04 0.03 -0.08 -0.05 0.00 0.02 -0.04 0.01 0.01 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.11 0.01 0.01 -0.04 -0.01 0.02 -0.01 0.02 0.12 -0.06 0.04 0.09 -0.06 0.05 -0.05 -0.03 -0.00 -0.04 -0.04 0.05 0.02 0.01 -0.01 0.01 0.03 0.01 0.01 0.04 -0.02 -0.05 0.02 -0.03 -0.06 0.08 0.01 -0.05 0.01 -0.02 -0.00 -0.02 0.02 0.02 -0.01 0.03 -0.01 -0.02 0.03 -0.06 0.03 0.02 -0.01 0.08 0.09 -0.09 0.12 -0.03 -0.06 0.00 -0.06 -0.02 -0.00 0.01 0.23 0.15 0.85 0.01 -0.01 0.04 0.03 -0.01 0.03 0.00 -0.01 0.04 0.02 0.01 -0.02 0.01 0.02 -0.03 0.03 -0.03 -0.01 -0.02 0.01 -0.06 -0.01 0.01 -0.01 -0.03 0.01 -0.05 0.02 0.00 0.00 -0.11 -0.02 0.05 0.03 0.00 -0.01 0.00 0.02 0.01 -0.04 0.00 0.01 0.04 0.04 0.00 -0.01 0.07 -0.02 0.05 0.01 -0.05 0.02 -0.04 0.02 0.15 -0.04 0.04 -0.17 0.06 -0.05 0.04 0.02 -0.03 0.04 -0.03 -0.02 0.05 -0.06 -0.07 0.12 0.17 -0.06 -0.01 0.01 0.04 0.07 -0.04 -0.08 0.13 -0.03 0.03 0.08 0.01 0.06 -0.06 -0.04 0.02 -0.05 -0.03 0.07 0.03 -0.00 -0.01 0.02 0.01 0.01 0.02 0.03 -0.03 -0.02 0.03 -0.02 -0.02 -0.34 -0.25 -0.02 0.01 -0.05 0.01 -0.02 0.01 -0.03 -0.02 -0.02 0.03 -0.06 -0.01 -0.04 0.07 -0.04 -0.02 0.07 -0.10 -0.01 -0.01 0.00 -0.03 -0.03 0.07 -0.03 -0.07 -0.00 -0.26 -0.15 -0.50 -0.07 0.08 0.10 -0.02 0.07 0.04 -0.00 0.11 0.05 0.01 0.02 -0.03 -0.01 0.01 -0.03 0.01 0.04 -0.02 -0.03 0.04 -0.04 -0.03 0.03 -0.01 -0.04 0.01 0.06 -0.03 -0.03 0.03 0.37 0.04 -0.12 0.01 -0.02 0.02 -0.01 0.01 0.02 -0.06 -0.02 0.04 -0.02 0.00 -0.02 -0.03 0.07 -0.02 -0.04 -0.09 0.06 -0.01 -0.00 0.00 -0.04 -0.00 -0.00 -0.12 0.22 -0.12 -0.02 0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.02 0.01 0.00 -0.03 0.01 -0.02 -0.02 0.03 -0.02 0.02 -0.03 0.02 0.00 -0.00 -0.00 0.03 -0.00 -0.01 0.03 -0.01 -0.01 -0.07 0.06 -0.01 0.03 -0.01 0.01 0.05 0.04 0.04 0.03 0.00 0.00 0.04 -0.04 -0.03 -0.06 -0.03 -0.10 0.09 -0.10 -0.07 0.03 -0.02 0.02 0.02 -0.03 0.05 0.01 0.01 0.01 0.01 0.01 -0.04 0.01 0.02 -0.01 0.13 0.07 0.28 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.02 0.04 -0.00 -0.00 0.05 0.01 -0.05 0.01 0.14 -0.11 -0.00 0.06 0.77 0.17 -0.28 -0.03 0.01 0.03 -0.00 0.02 0.00 0.01 0.02 0.06 -0.00 -0.02 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 0.02 0.04 -0.04 0.07 -0.02 0.09 -0.09 0.06 -0.04 -0.03 -0.00 0.04 -0.02 0.05 0.03 -0.09 -0.01 0.05 -0.08 0.20 0.09 0.02 0.00 -0.04 -0.05 0.02 0.11 0.10 -0.03 0.05 0.10 -0.01 0.07 -0.02 -0.02 0.01 -0.01 -0.03 0.05 -0.01 0.01 0.01 0.01 0.00 0.00 -0.09 0.07 0.00 -0.02 -0.05 -0.01 0.00 0.56 0.37 -0.02 -0.03 0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.03 0.02 -0.03 -0.02 -0.08 0.06 -0.02 -0.04 0.08 -0.07 -0.01 0.02 0.00 0.06 0.01 0.03 0.04 0.03 0.02 -0.09 -0.06 -0.49 0.08 -0.07 -0.07 0.07 -0.05 -0.00 -0.02 -0.13 -0.01 -0.02 -0.02 0.02 -0.02 -0.02 0.02 -0.02 0.01 0.02 0.03 -0.00 -0.07 0.05 -0.00 -0.02 0.01 -0.00 -0.02 -0.03 0.02 0.00 0.13 0.06 -0.06 -0.03 0.02 0.00 -0.00 0.00 -0.01 -0.05 -0.03 0.02 0.02 0.07 -0.01 -0.02 0.06 -0.04 0.02 0.09 0.00 0.00 0.01 0.00 0.01 -0.05 0.03 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.05 0.16 0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.03 -0.01 -0.01 0.03 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.00 -0.05 0.01 -0.03 -0.01 -0.03 -0.05 0.77 -0.56 0.05 0.02 0.01 0.01 0.03 -0.07 -0.04 0.02 0.04 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.02 0.01 -0.01 0.02 -0.01 0.00 0.01 0.01 0.02 0.01 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.00 0.00 -0.02 -0.02 0.00 -0.02 -0.02 0.01 -0.01 -0.02 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.03 0.04 -0.09 0.01 -0.12 0.07 -0.01 0.02 -0.02 0.01 -0.00 0.03 0.03 -0.02 -0.02 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.02 0.00 -0.00 0.02 -0.00 0.01 -0.01 -0.02 -0.02 -0.09 0.01 0.03 0.02 -0.05 -0.03 -0.01 0.00 -0.04 0.01 0.01 -0.05 0.06 0.00 0.06 -0.02 -0.06 0.04 -0.11 -0.07 0.05 0.02 -0.10 0.08 -0.00 -0.07 -0.01 0.02 -0.01 -0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.17 -0.12 0.00 -0.01 -0.10 -0.09 -0.02 0.73 0.43 0.00 -0.05 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.01 0.01 0.02 -0.02 0.02 0.02 -0.01 0.01 0.03 0.01 -0.02 0.00 0.04 -0.00 0.09 0.04 0.04 -0.02 0.12 0.10 0.02 0.14 0.12 -0.04 0.05 0.11 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.00 -0.03 0.01 0.02 -0.04 0.01 -0.02 -0.02 0.00 0.00 0.01 0.02 -0.00 -0.05 0.02 0.02 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.04 -0.05 0.01 0.00 -0.02 0.02 -0.07 0.03 0.17 0.01 0.01 -0.04 -0.05 -0.10 0.08 0.22 -0.23 0.14 0.05 0.20 0.00 0.00 0.14 0.02 0.00 -0.00 0.03 0.17 0.50 0.05 0.04 0.20 0.01 -0.01 -0.00 0.03 -0.06 -0.05 -0.00 -0.02 0.03 0.01 0.02 0.03 -0.03 0.04 -0.01 -0.05 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.03 -0.02 -0.00 0.07 -0.10 0.00 0.16 0.24 0.23 0.07 -0.02 -0.00 -0.02 0.02 0.02 -0.02 -0.02 0.06 -0.04 0.06 0.05 -0.02 0.00 -0.01 -0.04 -0.01 -0.03 -0.05 -0.03 0.01 -0.13 -0.10 0.04 -0.16 -0.09 0.02 -0.08 -0.07 0.14 0.01 -0.02 -0.04 0.02 -0.01 -0.00 -0.02 -0.06 -0.02 -0.01 0.10 -0.10 -0.02 0.05 -0.10 -0.00 0.03 -0.09 -0.01 0.05 0.01 -0.03 0.03 0.01 0.02 0.02 0.04 0.03 -0.16 0.02 0.11 -0.21 0.00 0.09 -0.14 0.05 0.01 0.00 0.05 0.03 0.02 -0.04 0.01 0.02 -0.03 0.01 -0.01 0.01 0.00 0.05 0.01 0.01 -0.01 0.01 -0.07 -0.16 0.11 0.10 0.10 -0.04 -0.01 -0.05 -0.00 0.00 -0.03 -0.01 0.05 -0.02 0.02 0.32 0.85 0.06 -0.01 -0.05 -0.01 0.05 -0.03 0.02 -0.10 -0.08 0.00 -0.02 -0.01 0.00 0.07 0.01 -0.01 0.07 -0.02 -0.07 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.14 0.08 0.01 -0.03 0.02 -0.01 -0.06 -0.01 -0.03 -0.03 -0.01 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.03 0.02 0.01 -0.03 -0.01 0.02 0.01 -0.06 0.00 0.00 0.00 0.02 0.02 0.02 0.02 -0.02 0.03 0.02 -0.00 0.02 0.02 -0.01 -0.01 0.03 0.03 0.02 0.03 0.00 -0.01 0.04 0.03 0.01 -0.03 0.03 0.01 -0.01 0.03 0.01 -0.01 0.02 0.01 -0.03 -0.03 0.03 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.05 -0.01 -0.04 0.05 0.01 -0.02 0.04 -0.01 0.00 -0.00 -0.02 0.02 0.01 -0.00 -0.01 0.03 0.00 0.01 -0.02 0.01 -0.02 -0.04 0.03 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.35 0.71 -0.40 0.03 0.06 -0.00 0.01 0.03 0.01 0.00 0.00 -0.00 -0.02 -0.05 -0.01 0.02 0.05 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 0.06 -0.09 0.05 0.02 -0.04 -0.02 -0.03 -0.00 0.00 -0.02 -0.01 -0.00 0.04 -0.05 0.01 -0.02 -0.02 -0.00 -0.02 0.04 0.04 -0.02 -0.02 0.01 -0.04 0.05 -0.02 -0.07 0.07 -0.07 0.03 -0.03 -0.07 0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.08 -0.04 0.02 -0.08 -0.05 0.01 -0.09 -0.04 0.06 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 0.06 -0.03 0.01 0.04 0.03 0.00 0.06 -0.01 0.02 0.04 -0.01 0.00 0.03 -0.01 -0.01 0.06 0.00 -0.04 0.01 0.02 -0.01 -0.22 -0.05 0.08 0.01 0.02 -0.01 -0.01 0.03 -0.03 -0.02 0.00 0.17 0.01 -0.01 -0.01 -0.01 0.04 -0.01 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.02 0.01 0.04 -0.24 0.46 -0.27 -0.07 -0.08 0.00 -0.02 -0.04 -0.01 -0.02 -0.02 0.01 0.05 0.19 0.02 -0.03 -0.07 -0.03 -0.01 -0.01 0.01 0.02 0.02 0.01 -0.00 0.04 0.02 0.04 -0.08 0.03 0.01 -0.04 -0.02 0.04 -0.04 -0.00 -0.03 0.02 0.04 -0.04 0.07 -0.04 0.07 0.02 0.00 0.09 -0.05 -0.04 0.08 0.04 -0.02 -0.05 0.05 0.01 -0.04 0.06 0.01 -0.03 0.02 -0.01 0.01 0.01 0.03 0.02 0.01 0.03 0.05 0.03 0.02 0.16 0.06 -0.05 0.15 0.10 -0.02 0.19 0.08 -0.10 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 0.01 0.01 -0.04 -0.15 0.10 -0.12 -0.15 0.09 -0.12 -0.15 0.02 -0.10 -0.12 0.01 0.02 -0.15 -0.02 0.05 -0.09 -0.02 0.02 0.12 -0.13 0.03 -0.21 -0.23 0.17 0.07 -0.15 0.08 -0.01 0.04 0.04 -0.00 0.02 0.17 -0.00 -0.00 0.04 -0.01 0.04 -0.02 0.01 -0.00 -0.01 -0.02 -0.00 0.01 0.11 0.15 -0.03 -0.08 -0.06 0.06 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.07 -0.13 0.01 0.08 0.77 0.10 0.01 0.01 -0.00 0.03 -0.06 0.10 0.09 0.21 -0.14 0.13 0.25 -0.13 -0.11 -0.02 0.03 -0.15 0.03 -0.01 -0.00 0.01 0.01 0.02 0.00 0.03 -0.05 0.07 -0.01 0.00 -0.00 0.01 -0.03 -0.01 -0.00 0.01 -0.03 0.03 0.02 -0.01 0.01 0.04 -0.01 0.03 -0.06 -0.03 0.04 0.06 -0.07 0.01 0.10 -0.06 -0.01 0.04 -0.07 0.00 -0.02 -0.00 -0.00 -0.02 0.00 -0.00 0.02 0.02 0.10 0.00 -0.00 -0.03 -0.02 -0.02 -0.05 -0.02 0.03 -0.01 0.02 -0.01 0.01 0.01 0.00 0.01 0.02 -0.00 0.01 0.03 -0.04 0.08 0.03 -0.03 0.01 0.03 -0.04 0.07 -0.01 0.01 -0.01 -0.07 0.04 0.00 -0.02 0.00 -0.04 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.06 0.03 -0.00 -0.01 0.02 0.03 0.04 -0.02 -0.01 -0.01 0.01 -0.03 -0.02 -0.02 0.06 0.02 0.01 0.00 -0.08 0.00 0.01 -0.05 -0.00 0.02 0.01 -0.02 -0.04 -0.11 -0.02 -0.06 -0.11 0.01 0.03 -0.01 -0.00 -0.04 0.01 -0.06 0.10 0.01 -0.08 -0.01 -0.01 0.00 -0.02 -0.01 -0.07 -0.08 0.05 0.02 0.01 -0.03 -0.04 -0.00 -0.09 0.08 -0.22 0.02 0.00 -0.29 0.03 0.00 -0.22 0.02 0.08 -0.02 0.03 0.03 -0.07 -0.02 0.04 -0.03 0.02 0.03 0.01 -0.01 0.02 -0.00 -0.01 0.01 0.02 0.00 0.01 0.06 0.03 -0.02 0.10 0.01 -0.00 0.04 0.02 0.01 0.01 0.03 0.05 0.02 0.03 0.05 -0.03 0.02 0.08 -0.07 0.07 -0.07 -0.07 0.04 -0.07 -0.07 0.05 -0.07 0.37 0.07 0.01 0.32 0.05 -0.08 0.42 0.05 -0.00 -0.06 -0.20 0.00 0.20 -0.26 -0.06 -0.01 -0.16 0.07 0.00 0.01 0.02 0.01 0.02 0.03 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.03 0.00 -0.04 -0.06 -0.02 -0.00 0.00 -0.00 -0.00 0.11 -0.05 -0.04 0.01 -0.00 -0.01 -0.23 0.05 0.09 -0.08 -0.02 0.12 0.13 -0.07 0.16 -0.00 0.00 0.00 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.01 0.05 0.04 0.00 -0.00 0.00 -0.00 0.01 0.03 0.01 0.03 -0.02 -0.03 0.00 -0.00 0.55 -0.03 0.07 -0.10 0.23 -0.42 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.06 -0.04 0.03 -0.05 -0.03 0.02 0.00 0.00 -0.00 0.03 -0.01 0.03 -0.02 -0.01 0.01 -0.00 0.01 -0.01 0.14 0.03 -0.01 -0.16 -0.07 0.09 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.01 0.01 -0.02 0.00 -0.01 0.02 -0.02 -0.03 0.01 0.02 -0.01 -0.02 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.05 0.03 -0.02 -0.14 0.17 -0.21 0.02 -0.06 0.06 -0.23 -0.19 0.16 -0.03 -0.02 0.02 0.00 0.01 -0.05 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.14 -0.02 0.05 0.02 -0.00 -0.01 -0.31 0.07 0.13 -0.05 -0.03 -0.02 0.18 -0.09 0.22 -0.01 -0.01 0.01 -0.03 -0.05 0.00 0.01 0.00 -0.00 0.02 -0.02 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.02 -0.02 0.02 -0.01 -0.01 0.00 0.23 -0.01 0.04 -0.04 0.09 -0.18 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.02 -0.01 0.09 0.06 -0.02 0.08 0.08 -0.04 0.00 0.00 0.00 0.03 -0.06 -0.06 -0.07 -0.04 0.02 0.00 0.01 -0.01 -0.12 -0.05 -0.13 -0.13 0.17 0.05 0.00 -0.00 0.00 -0.03 -0.03 -0.00 0.01 0.03 0.03 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.01 0.02 -0.01 -0.01 0.01 -0.06 -0.04 0.00 0.21 -0.26 0.34 -0.02 0.08 -0.10 0.35 0.30 -0.25 -0.01 -0.01 -0.00 -0.05 -0.00 0.09 0.16 0.07 0.01 0.01 -0.00 -0.01 -0.05 0.01 0.01 -0.03 -0.00 0.01 0.45 -0.10 -0.19 -0.09 -0.05 0.01 -0.25 0.16 -0.31 0.00 0.01 -0.00 0.06 0.06 -0.00 -0.01 -0.00 0.00 -0.01 -0.08 -0.12 -0.01 -0.01 0.01 0.03 0.03 0.17 0.09 0.14 -0.11 -0.03 0.00 0.00 0.35 -0.01 0.06 -0.08 0.17 -0.26 0.00 -0.00 -0.01 0.05 0.03 -0.01 -0.06 -0.04 0.01 0.00 0.00 -0.00 0.05 0.03 -0.00 0.03 0.03 -0.02 0.00 0.00 -0.00 0.06 -0.06 -0.02 -0.08 -0.04 0.03 0.02 0.00 0.01 -0.05 0.05 0.20 0.07 -0.14 0.01 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.04 0.01 0.00 -0.01 0.01 -0.05 -0.05 -0.01 0.04 -0.04 0.01 -0.00 -0.00 0.00 -0.00 0.04 -0.01 -0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.05 -0.03 0.03 0.07 -0.10 0.11 -0.01 0.06 -0.04 0.12 0.11 -0.09 0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.14 0.02 0.06 0.02 0.01 -0.01 0.07 -0.05 0.09 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.01 0.00 -0.00 0.04 0.00 -0.03 -0.03 0.02 0.10 0.09 0.57 0.36 0.44 -0.36 0.01 -0.00 -0.00 -0.13 0.01 -0.02 0.03 -0.04 0.11 -0.01 -0.00 -0.03 0.04 0.15 -0.12 -0.08 -0.20 -0.06 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.07 -0.01 0.06 -0.01 0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.00 -0.00 -0.02 0.01 0.01 0.00 -0.07 -0.04 -0.05 0.08 -0.03 -0.03 -0.01 0.00 0.00 0.01 -0.08 0.02 -0.01 0.03 0.07 -0.00 -0.00 0.00 0.02 0.02 -0.02 -0.00 0.01 -0.01 0.01 -0.03 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.08 0.03 0.10 0.48 0.25 0.01 -0.00 0.00 0.00 0.03 -0.01 -0.01 0.02 0.00 -0.01 -0.17 -0.02 0.06 0.02 0.02 0.02 0.08 -0.10 0.10 0.00 0.01 0.02 0.09 0.04 0.02 -0.03 -0.02 -0.00 -0.03 -0.26 -0.38 -0.00 -0.00 0.00 0.01 0.00 0.03 0.02 0.02 -0.02 0.00 -0.00 -0.00 -0.04 0.01 -0.00 0.01 -0.02 0.02 0.01 -0.00 -0.01 0.14 -0.06 0.13 -0.17 0.07 0.10 0.00 -0.01 0.00 0.03 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.01 0.02 0.01 -0.01 -0.01 0.00 -0.00 0.04 -0.01 -0.08 -0.04 0.05 0.01 0.00 0.01 0.01 -0.04 0.11 -0.00 0.01 0.00 0.05 -0.00 0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.03 0.09 0.00 -0.02 0.00 -0.05 0.34 -0.07 -0.05 -0.16 -0.24 0.01 0.00 -0.01 -0.10 -0.08 0.15 -0.04 0.04 -0.06 -0.02 0.12 -0.02 -0.06 -0.05 0.04 -0.00 0.00 0.00 -0.03 0.02 0.04 0.19 0.07 0.02 0.01 -0.02 -0.00 0.04 -0.13 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.15 0.07 0.06 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.01 0.02 0.01 -0.01 -0.00 0.00 0.01 -0.13 -0.12 -0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.02 0.01 -0.01 -0.00 0.00 0.07 -0.02 0.00 -0.02 0.00 -0.08 0.01 -0.00 0.00 -0.05 0.00 -0.03 0.02 -0.04 -0.02 0.00 0.00 -0.01 0.04 0.01 -0.08 -0.01 -0.09 0.04 -0.02 -0.02 0.02 -0.34 0.31 0.03 0.44 0.23 -0.18 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.02 0.01 -0.00 0.00 -0.01 0.06 -0.07 0.00 0.00 -0.21 -0.05 -0.00 -0.01 0.01 0.02 0.02 -0.00 -0.03 0.04 -0.08 -0.01 0.03 -0.01 0.08 -0.35 0.06 0.10 0.18 0.23 0.00 0.00 -0.00 -0.14 -0.07 0.01 0.01 -0.02 0.00 -0.03 0.16 0.01 0.02 0.00 -0.03 -0.00 -0.00 0.00 0.06 -0.04 -0.03 -0.26 -0.11 -0.03 0.01 -0.01 -0.00 -0.00 -0.10 0.01 -0.01 0.00 0.00 0.04 -0.01 -0.02 0.12 0.05 0.03 -0.02 0.05 -0.03 -0.00 -0.01 -0.01 -0.03 0.01 0.00 0.02 0.00 -0.00 0.00 0.16 0.18 -0.00 -0.00 0.00 0.00 0.01 0.05 0.02 0.05 -0.03 -0.01 -0.00 0.00 0.07 -0.02 0.01 -0.02 0.01 -0.07 -0.01 0.00 -0.01 0.05 -0.01 0.04 -0.03 0.05 0.02 -0.00 0.01 -0.01 -0.04 -0.02 -0.06 0.02 -0.05 0.02 -0.02 -0.02 0.01 -0.27 0.24 0.01 0.35 0.18 -0.15 0.00 -0.00 0.00 -0.04 -0.01 0.01 -0.01 0.01 0.01 0.00 0.02 0.01 -0.07 0.14 -0.01 0.02 -0.11 0.09 0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.02 -0.04 0.10 0.01 -0.03 0.01 -0.11 0.44 -0.07 -0.04 -0.21 -0.32 -0.00 -0.01 -0.00 0.13 0.07 -0.01 0.04 -0.04 0.07 0.03 -0.15 0.01 0.07 0.05 -0.06 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.03 -0.04 0.01 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.02 0.02 0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.03 0.00 0.00 0.01 0.00 -0.00 0.02 -0.00 0.05 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.02 0.00 -0.02 0.03 -0.01 -0.02 0.01 -0.01 0.02 0.06 0.02 -0.03 0.17 0.03 -0.00 -0.00 -0.01 -0.01 -0.03 0.01 -0.02 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.08 0.03 0.03 0.00 -0.07 0.00 0.02 0.00 -0.01 -0.52 -0.22 -0.05 0.10 0.13 0.52 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.03 0.01 0.06 0.03 -0.00 0.01 0.00 0.01 -0.05 -0.03 0.03 -0.05 0.12 0.01 -0.02 0.13 -0.51 -0.08 -0.06 0.05 -0.00 0.00 -0.00 0.01 0.00 -0.04 -0.14 -0.11 0.01 -0.00 -0.00 0.00 0.05 0.06 -0.02 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.03 -0.02 -0.02 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.11 0.03 0.02 0.02 0.01 -0.00 0.12 -0.07 0.22 0.00 -0.00 0.00 -0.03 0.03 0.02 -0.00 0.03 -0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.03 0.04 -0.05 0.13 0.04 -0.06 0.01 -0.01 0.01 0.13 0.03 -0.13 -0.02 -0.12 0.06 -0.00 0.00 -0.01 0.04 -0.00 0.06 -0.01 -0.00 0.04 -0.00 0.00 -0.00 0.02 0.02 0.04 0.01 -0.04 -0.00 -0.00 0.01 0.01 0.13 -0.03 0.03 -0.03 0.02 -0.13 0.01 0.00 -0.00 -0.03 -0.02 -0.04 0.05 -0.04 0.03 0.01 -0.01 0.00 -0.05 0.16 -0.02 -0.09 -0.09 -0.09 0.02 -0.02 0.01 -0.50 -0.27 -0.09 -0.02 -0.03 -0.08 -0.12 0.57 0.03 -0.04 -0.03 0.03 0.00 0.02 0.01 -0.03 0.01 0.03 -0.03 -0.02 0.00 -0.01 0.01 -0.01 0.22 -0.36 -0.05 -0.01 0.00 0.00 0.15 -0.04 -0.06 0.03 0.13 0.41 -0.09 -0.00 -0.09 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.03 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 0.02 0.11 0.07 -0.00 0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.00 -0.01 0.00 -0.00 0.01 0.02 0.01 0.04 -0.02 0.03 -0.01 0.01 0.00 -0.00 0.04 -0.06 -0.05 -0.07 -0.04 0.03 0.01 -0.02 0.02 -0.25 -0.21 -0.39 0.02 0.50 -0.05 0.00 -0.00 -0.00 -0.02 -0.03 -0.00 0.00 0.06 0.02 0.00 -0.00 -0.00 -0.03 -0.03 0.01 0.03 -0.02 -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 -0.03 -0.01 -0.02 -0.02 -0.01 -0.09 -0.01 0.03 -0.03 -0.03 -0.10 -0.04 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 0.21 0.44 -0.12 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.12 -0.14 -0.27 0.01 0.03 -0.01 -0.00 0.00 0.00 0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.10 0.06 -0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.05 -0.02 0.01 -0.01 0.10 0.01 0.00 -0.00 0.00 0.09 0.04 0.02 -0.01 0.05 0.02 0.00 0.01 -0.00 0.02 0.02 0.01 -0.25 -0.10 0.06 -0.01 -0.01 -0.01 0.05 0.11 0.35 0.07 0.03 -0.06 0.01 -0.01 0.00 -0.24 -0.08 -0.09 0.01 0.21 -0.02 0.00 -0.00 -0.01 -0.16 -0.07 -0.02 0.03 0.04 0.16 0.00 0.00 -0.00 -0.11 -0.11 0.08 0.11 -0.05 -0.07 -0.01 0.00 0.00 0.03 -0.03 -0.00 0.02 0.02 0.02 0.01 0.00 -0.00 0.04 0.02 -0.00 0.03 -0.26 -0.26 0.01 -0.04 0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.07 0.13 -0.04 -0.00 -0.00 -0.00 0.03 -0.01 -0.02 0.01 -0.02 -0.09 -0.01 0.03 -0.02 0.00 -0.00 0.00 -0.07 0.06 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.33 -0.22 0.06 0.04 0.02 -0.03 -0.00 0.01 0.01 0.04 0.00 0.01 -0.02 -0.20 -0.16 0.00 0.02 -0.00 -0.27 -0.17 -0.03 -0.05 -0.16 -0.03 0.00 0.00 0.00 0.01 0.00 -0.03 -0.07 -0.06 0.03 -0.00 0.00 -0.01 0.06 -0.00 0.10 -0.03 -0.02 0.01 0.01 -0.00 0.00 -0.10 -0.04 -0.05 -0.07 0.10 0.03 -0.00 -0.00 -0.00 -0.04 0.04 -0.01 0.00 -0.01 0.04 -0.00 -0.01 0.01 0.36 0.34 -0.24 -0.36 0.20 0.15 0.01 -0.01 -0.00 -0.07 0.03 0.02 0.06 -0.01 -0.05 0.00 -0.00 -0.00 -0.01 -0.01 0.03 0.01 -0.08 -0.09 -0.00 0.01 0.04 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.10 -0.16 0.05 -0.08 -0.01 0.00 -0.00 0.09 -0.07 -0.03 -0.00 -0.01 0.00 0.01 0.03 0.01 0.02 0.04 0.09 0.02 0.07 0.00 -0.00 -0.00 0.00 -0.05 -0.10 -0.01 0.03 -0.01 -0.01 -0.01 0.11 0.05 -0.01 -0.00 0.00 0.07 -0.03 0.06 0.05 0.04 -0.04 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 -0.06 -0.01 -0.00 -0.01 -0.02 0.43 -0.14 0.39 -0.43 0.30 0.28 0.00 -0.00 0.00 0.04 0.03 0.06 -0.06 0.04 -0.02 0.00 0.00 0.00 0.03 -0.02 -0.00 -0.04 -0.02 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.09 -0.01 -0.07 0.01 -0.00 0.00 0.00 0.02 -0.10 0.01 -0.00 -0.06 -0.01 -0.00 -0.00 0.00 0.11 0.09 -0.02 -0.10 0.10 -0.06 -0.02 0.01 -0.01 0.12 -0.09 -0.03 0.10 0.08 0.04 0.00 -0.00 0.00 -0.08 -0.03 -0.12 0.01 -0.07 -0.05 -0.02 0.09 -0.01 0.01 0.00 -0.02 -0.02 0.01 0.01 -0.04 0.08 -0.13 0.05 -0.02 0.02 -0.01 0.00 -0.01 0.31 -0.19 -0.10 0.01 -0.01 0.00 -0.05 0.06 0.04 0.02 0.09 0.29 0.06 0.06 0.04 -0.01 0.00 -0.00 0.04 -0.20 -0.05 -0.01 0.00 0.00 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 -0.00 0.01 0.00 -0.01 -0.06 0.02 -0.01 0.02 -0.01 0.06 0.00 0.00 0.01 -0.14 0.03 -0.11 0.11 -0.11 -0.08 0.00 -0.00 -0.01 0.09 0.09 0.28 -0.29 0.18 -0.10 0.01 -0.01 0.00 0.02 0.01 0.07 -0.02 -0.02 -0.06 -0.01 0.01 -0.02 0.01 0.12 0.29 0.01 -0.28 0.01 0.00 -0.00 -0.00 -0.06 0.04 -0.01 0.01 0.01 0.06 0.00 0.01 -0.00 0.03 -0.00 0.14 -0.04 0.05 -0.02 0.01 -0.01 0.01 -0.03 0.05 0.00 0.01 -0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.06 0.07 -0.31 -0.16 0.00 0.00 0.01 0.08 0.06 -0.08 0.02 0.00 -0.01 -0.12 0.15 -0.14 -0.03 -0.05 0.01 0.01 -0.00 0.01 -0.25 0.15 0.09 -0.00 -0.00 0.01 0.10 0.04 -0.03 0.04 -0.05 -0.25 -0.06 -0.04 -0.05 -0.00 0.01 -0.01 0.07 -0.27 -0.07 0.00 0.00 -0.00 0.01 0.01 0.04 -0.01 -0.00 -0.00 -0.02 0.02 0.03 0.07 -0.01 -0.02 -0.01 -0.00 0.01 0.05 -0.03 0.00 -0.02 0.01 -0.05 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.03 0.00 -0.02 0.00 -0.02 -0.01 0.08 0.08 0.38 -0.09 0.35 -0.20 0.00 -0.00 0.02 -0.08 -0.01 -0.16 0.02 0.01 -0.10 0.00 -0.01 0.01 -0.02 -0.07 -0.17 0.01 0.17 -0.01 -0.00 0.00 0.01 0.05 0.13 -0.00 0.00 -0.22 -0.04 0.00 0.00 -0.00 0.06 0.01 0.21 -0.08 0.09 -0.07 -0.00 -0.01 0.01 0.00 0.04 -0.01 0.09 -0.00 -0.06 -0.00 -0.00 0.00 -0.07 -0.05 0.09 -0.05 0.11 -0.04 -0.02 0.09 -0.14 -0.09 -0.05 0.10 0.00 -0.00 -0.00 0.10 -0.01 -0.10 0.00 -0.11 0.03 0.00 0.00 -0.00 0.05 -0.02 -0.02 -0.00 -0.01 0.00 -0.00 0.02 0.01 -0.08 -0.02 0.07 0.04 0.11 0.01 0.00 0.01 0.01 -0.17 -0.01 0.03 -0.00 0.01 -0.02 0.07 -0.09 0.10 0.00 -0.00 0.00 -0.01 0.01 0.02 0.00 0.03 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.05 0.05 -0.00 -0.00 -0.00 0.02 -0.03 0.03 0.04 0.10 0.01 -0.00 0.01 0.01 -0.02 -0.03 -0.14 0.09 -0.10 0.06 -0.00 0.01 -0.01 0.06 -0.04 0.01 -0.07 -0.03 0.04 0.00 -0.00 -0.00 -0.10 -0.00 0.06 0.02 -0.00 -0.01 0.00 -0.02 -0.00 -0.07 0.51 -0.06 0.02 -0.24 0.06 0.00 -0.00 0.01 -0.03 -0.01 -0.06 0.05 0.02 -0.15 -0.01 0.01 0.01 0.04 -0.09 0.01 0.22 0.08 -0.03 -0.00 -0.01 -0.02 0.02 -0.08 0.60 -0.00 0.02 0.01 -0.00 -0.00 -0.02 -0.00 -0.02 -0.01 -0.02 -0.00 0.01 -0.32 0.13 0.18 -0.10 -0.05 -0.00 0.00 0.00 -0.00 0.12 0.04 -0.05 0.00 0.02 0.00 0.03 -0.01 -0.01 -0.13 -0.05 0.06 -0.16 -0.45 -0.04 0.02 -0.01 -0.01 -0.05 0.13 0.03 0.01 0.00 -0.00 0.02 0.02 0.08 0.00 0.00 0.00 0.07 -0.04 0.01 -0.03 0.03 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 0.10 0.05 0.00 0.00 -0.01 -0.04 -0.12 0.06 -0.03 0.05 0.03 -0.00 -0.00 -0.00 0.09 0.05 0.05 -0.09 0.04 -0.02 -0.00 -0.00 -0.00 0.03 0.03 0.11 0.00 0.00 -0.03 -0.02 0.01 0.01 0.50 0.03 -0.24 0.18 -0.05 -0.09 0.00 -0.00 -0.00 -0.01 0.09 -0.01 0.01 -0.11 0.01 -0.00 -0.01 0.01 -0.04 0.00 -0.17 0.06 -0.04 -0.02 -0.00 0.01 -0.00 0.01 -0.03 0.00 0.07 0.03 -0.01 -0.00 -0.00 -0.00 0.02 0.01 0.05 0.03 -0.10 0.02 0.00 -0.02 -0.01 0.06 0.10 -0.03 -0.00 0.00 0.00 -0.10 0.02 0.08 -0.02 -0.05 0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.04 -0.02 -0.02 0.22 0.10 -0.08 -0.06 -0.10 -0.03 0.00 -0.00 -0.01 0.00 0.08 0.01 -0.01 0.00 -0.01 0.05 -0.08 0.08 0.00 -0.02 0.00 -0.19 0.12 -0.01 0.02 -0.03 0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.01 -0.02 -0.28 -0.18 -0.02 -0.02 0.01 0.41 0.44 -0.09 0.18 0.15 -0.04 0.00 0.00 -0.00 0.01 0.01 0.03 -0.08 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 0.14 0.01 -0.06 -0.16 -0.01 0.10 0.00 -0.02 -0.01 -0.05 0.07 -0.02 -0.00 0.24 0.02 0.01 -0.00 -0.00 0.15 0.12 -0.02 -0.16 0.07 0.13 -0.00 -0.00 -0.00 0.02 -0.05 0.00 -0.09 -0.00 0.08 0.00 0.00 -0.01 0.03 -0.02 0.21 0.02 -0.06 -0.02 0.01 -0.03 0.09 0.02 0.03 -0.01 -0.01 -0.01 0.00 0.03 0.01 -0.04 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.11 0.02 -0.05 -0.00 0.00 0.00 0.03 0.00 -0.01 -0.14 -0.05 0.08 -0.04 -0.07 -0.02 -0.01 0.01 0.01 0.28 -0.21 -0.08 0.01 -0.00 0.00 -0.06 0.11 -0.05 -0.01 -0.00 -0.01 -0.08 0.05 0.02 0.12 -0.06 -0.02 0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.03 0.09 -0.05 -0.03 -0.10 -0.01 -0.00 0.01 -0.00 -0.04 -0.05 -0.26 0.14 -0.22 0.12 -0.01 0.01 -0.01 0.08 0.00 0.14 -0.03 -0.01 0.04 -0.01 -0.00 0.01 0.19 0.00 -0.11 0.07 -0.00 -0.04 -0.00 0.00 -0.00 -0.02 0.04 -0.01 0.01 -0.13 0.03 0.01 -0.01 -0.02 0.18 0.01 0.57 -0.24 0.16 0.03 -0.00 -0.01 0.00 -0.01 0.02 -0.00 0.11 0.01 -0.05 0.00 -0.01 0.00 -0.03 -0.01 -0.06 0.00 0.07 0.14 -0.01 0.03 0.06 0.04 0.03 -0.04 0.01 0.00 0.00 0.00 0.06 -0.11 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.30 -0.13 0.12 -0.00 -0.00 0.01 0.03 0.02 -0.01 0.05 0.02 -0.02 -0.02 -0.02 -0.01 0.01 0.01 0.00 -0.06 -0.12 -0.01 -0.00 0.00 -0.00 0.04 -0.08 0.04 -0.00 0.00 0.00 0.04 -0.02 0.03 0.04 0.03 -0.03 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.06 0.02 0.00 0.00 -0.01 -0.12 -0.18 0.06 0.03 0.09 0.01 0.00 0.00 -0.02 -0.09 -0.05 0.00 -0.21 -0.11 0.04 0.01 0.00 0.00 -0.04 -0.01 -0.11 0.02 0.01 0.01 -0.00 -0.00 0.00 0.09 -0.01 -0.06 0.06 0.01 -0.03 -0.00 -0.01 -0.02 -0.27 -0.05 -0.04 0.04 0.27 0.28 0.00 0.00 0.00 -0.01 -0.03 0.07 0.02 0.03 -0.12 0.00 0.00 0.00 0.02 -0.01 0.00 0.03 0.01 -0.01 0.02 0.01 -0.02 -0.09 -0.06 0.02 0.01 0.02 0.03 0.01 0.04 0.63 0.02 0.04 0.02 -0.01 -0.00 -0.00 -0.01 0.09 -0.16 -0.02 -0.05 0.01 -0.00 -0.00 0.00 0.09 0.05 -0.04 -0.00 -0.00 0.01 0.04 0.03 -0.00 0.04 0.01 -0.03 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.05 -0.19 -0.02 0.01 0.00 -0.01 -0.02 0.07 0.00 -0.00 0.01 -0.00 0.10 -0.06 -0.01 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.07 0.02 0.01 0.01 -0.00 -0.07 -0.14 0.07 -0.19 -0.10 0.06 -0.00 -0.00 0.00 0.04 0.02 -0.04 0.09 -0.00 0.00 -0.01 -0.02 0.00 -0.07 0.09 0.11 0.14 0.06 -0.02 -0.01 -0.00 0.00 0.06 -0.01 -0.05 0.07 0.01 -0.04 0.00 -0.03 0.01 0.13 0.07 0.01 -0.06 0.63 -0.21 -0.00 0.00 -0.00 -0.00 -0.02 0.11 0.00 0.02 -0.05 0.02 0.00 -0.00 0.04 -0.02 -0.01 -0.30 -0.06 0.13 -0.01 -0.00 -0.00 0.03 -0.03 0.32 -0.01 0.06 0.06 -0.01 0.00 -0.18 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.07 -0.23 0.31 -0.13 -0.10 0.01 -0.01 -0.00 0.00 -0.02 -0.02 0.01 -0.00 0.01 -0.01 -0.04 -0.08 -0.01 0.21 0.09 -0.08 0.00 -0.02 0.01 -0.03 -0.00 -0.02 0.42 0.22 -0.04 0.02 0.00 -0.00 -0.04 0.16 0.03 -0.00 0.01 -0.00 -0.01 0.02 0.02 0.04 0.03 -0.03 -0.00 0.00 0.00 -0.01 -0.03 -0.02 -0.00 -0.11 -0.06 0.01 0.01 -0.01 -0.18 -0.29 0.10 -0.09 0.03 0.05 0.00 -0.00 0.00 -0.02 0.00 0.07 -0.09 0.03 -0.01 0.01 0.00 0.00 0.00 -0.03 -0.06 -0.04 -0.02 0.01 0.01 0.00 -0.00 0.02 0.01 0.01 -0.19 -0.02 0.11 0.00 -0.01 -0.00 -0.03 0.12 -0.02 0.00 0.03 0.02 -0.00 0.01 -0.01 -0.12 -0.14 0.22 0.06 -0.13 0.24 0.00 0.02 -0.01 -0.02 -0.11 0.03 0.02 0.06 0.05 0.00 -0.00 -0.01 -0.07 -0.07 0.19 0.01 -0.09 -0.08 -0.02 0.10 -0.02 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.06 0.09 -0.07 0.05 0.06 -0.01 -0.01 -0.00 0.00 0.15 0.05 -0.06 -0.00 -0.00 0.00 0.05 0.01 -0.01 0.10 0.04 -0.03 -0.02 0.01 -0.02 0.01 0.01 0.00 -0.06 -0.08 -0.01 -0.02 -0.01 0.00 0.09 -0.22 0.06 -0.01 -0.01 0.01 -0.05 0.06 0.12 0.13 0.13 -0.11 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.10 -0.05 -0.01 -0.01 -0.02 -0.21 -0.34 0.11 0.40 0.55 -0.04 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.12 -0.01 0.01 -0.00 -0.00 -0.00 0.03 0.01 0.09 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.15 -0.00 0.09 -0.00 0.00 0.01 0.08 -0.08 0.02 -0.02 0.02 -0.08 0.01 0.00 -0.00 0.00 -0.03 0.12 -0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.10 0.08 -0.10 -0.00 0.05 0.07 0.02 -0.12 -0.10 0.01 -0.01 -0.02 0.01 -0.00 -0.00 0.10 -0.16 0.15 -0.02 -0.03 0.01 0.02 0.00 -0.01 -0.10 -0.01 0.04 0.01 0.00 -0.01 -0.13 -0.01 0.05 -0.36 -0.17 0.12 0.06 0.01 0.06 -0.01 0.00 -0.01 0.19 0.15 -0.01 -0.00 -0.00 -0.00 0.04 -0.07 0.06 -0.01 -0.01 0.00 0.01 -0.00 0.05 0.06 0.04 -0.04 -0.00 -0.01 -0.00 0.03 0.06 0.04 0.01 0.16 0.08 -0.01 -0.01 -0.00 0.07 0.01 0.03 0.20 0.28 -0.02 0.00 -0.01 -0.00 -0.06 -0.02 0.13 -0.04 0.10 -0.06 -0.00 -0.01 0.01 -0.08 0.05 -0.02 0.11 0.05 -0.06 -0.02 0.00 -0.00 -0.17 0.00 0.09 0.40 0.00 -0.24 0.00 -0.00 -0.00 0.01 -0.04 0.00 -0.01 0.12 -0.02 0.00 -0.01 -0.01 0.15 0.11 0.01 -0.18 0.03 0.24 0.00 0.00 -0.01 -0.01 -0.05 0.01 -0.08 0.01 0.06 0.00 0.01 -0.00 -0.00 -0.01 0.10 -0.01 0.04 0.01 -0.00 0.00 -0.02 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 0.31 -0.18 -0.07 0.03 0.01 0.00 0.00 0.00 -0.00 0.21 0.09 -0.09 -0.01 0.00 0.00 0.08 -0.04 -0.04 -0.21 -0.09 0.08 0.02 0.20 -0.03 -0.01 0.01 -0.00 0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.03 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.03 0.00 0.01 0.01 0.00 -0.01 -0.06 0.01 -0.01 0.02 -0.03 0.04 -0.00 -0.00 0.00 0.02 0.03 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 -0.02 -0.15 -0.05 0.26 -0.00 0.24 -0.14 -0.01 -0.01 0.00 0.03 0.07 0.23 0.05 0.02 -0.07 0.00 -0.01 0.01 0.27 -0.02 -0.18 -0.27 0.02 0.16 0.00 0.00 -0.00 -0.03 -0.03 -0.00 0.01 -0.01 0.05 -0.00 0.00 0.00 -0.03 0.01 -0.13 0.04 -0.04 0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.08 -0.05 0.03 -0.02 0.24 0.32 -0.01 0.07 0.16 0.05 0.03 -0.06 -0.01 -0.00 0.00 0.35 -0.19 -0.11 0.05 0.03 -0.00 -0.03 -0.01 0.01 0.16 0.05 -0.07 -0.00 0.00 0.00 -0.05 0.01 0.02 0.47 0.21 -0.18 0.03 0.08 0.02 -0.01 0.01 0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.03 -0.00 0.01 0.11 -0.02 0.03 -0.05 0.00 -0.10 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.05 0.03 -0.02 0.00 0.00 0.00 -0.07 -0.03 0.05 0.01 0.05 -0.02 0.00 0.00 -0.00 0.05 -0.04 0.02 -0.09 -0.05 0.03 -0.03 -0.00 0.01 0.19 -0.01 -0.13 0.50 0.01 -0.30 -0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.05 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.08 0.03 0.00 -0.06 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.04 0.00 -0.02 0.00 -0.00 0.00 -0.02 -0.00 -0.06 0.01 -0.03 0.02 -0.00 0.02 -0.02 0.04 0.03 -0.03 -0.00 0.01 0.01 0.33 -0.15 -0.14 0.06 0.02 0.00 0.02 0.00 -0.00 -0.27 -0.09 0.11 -0.01 0.00 0.01 0.08 -0.02 -0.03 -0.17 -0.08 0.05 0.00 0.14 -0.03 -0.01 0.01 0.01 -0.05 -0.04 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.03 0.01 -0.01 0.01 0.03 0.04 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.05 0.05 -0.01 0.00 0.01 0.01 0.04 0.02 -0.07 -0.19 -0.15 0.10 0.01 0.01 0.00 -0.04 -0.03 -0.16 0.02 0.01 0.01 -0.01 -0.01 0.01 0.38 -0.01 -0.23 -0.12 0.01 0.08 0.00 0.01 0.01 0.07 -0.15 0.03 -0.01 -0.05 -0.09 0.00 -0.00 -0.00 0.02 0.02 0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.06 -0.02 0.01 -0.01 0.00 0.00 0.07 0.03 0.10 0.05 -0.32 -0.31 0.00 -0.04 -0.26 0.01 0.08 0.05 0.00 0.00 0.00 0.07 -0.09 0.08 0.02 0.07 -0.01 0.00 0.00 0.00 -0.04 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.05 -0.03 0.01 0.01 0.03 -0.00 -0.01 0.00 -0.00 0.10 0.06 -0.01 -0.00 -0.01 0.01 -0.06 0.06 -0.08 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.07 0.06 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.10 0.08 -0.02 -0.00 -0.00 0.00 0.05 0.03 0.01 0.01 0.02 -0.01 0.00 -0.01 0.00 -0.05 0.02 -0.03 0.06 0.02 -0.01 0.00 -0.00 0.00 0.05 -0.00 -0.03 -0.08 0.00 0.05 -0.00 -0.04 0.00 -0.06 0.64 -0.07 -0.02 0.31 0.02 -0.01 -0.01 0.01 0.04 0.04 -0.06 -0.02 0.10 -0.27 -0.00 0.00 0.01 0.04 -0.04 0.01 0.12 0.03 -0.03 0.01 -0.02 0.03 -0.05 0.03 -0.49 0.01 -0.06 -0.07 -0.01 0.04 -0.11 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.01 0.10 -0.22 0.04 0.06 -0.01 0.01 0.00 -0.00 -0.04 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.03 0.01 -0.14 -0.06 0.05 0.02 0.09 0.00 0.01 -0.00 0.01 -0.26 -0.09 0.03 -0.00 -0.00 0.00 0.01 -0.04 -0.01 0.00 -0.00 0.00 -0.19 0.13 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.04 0.02 -0.02 -0.28 -0.18 0.01 0.00 -0.00 -0.05 -0.08 0.03 -0.11 -0.08 0.03 -0.00 -0.00 0.00 0.08 0.04 -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 -0.01 -0.00 0.00 0.05 -0.00 -0.04 0.14 0.01 -0.08 0.00 -0.01 -0.00 -0.07 0.29 -0.04 0.02 -0.02 0.07 0.02 0.02 -0.02 -0.09 -0.07 0.02 0.04 -0.22 0.59 0.00 0.02 -0.02 -0.04 -0.14 0.04 -0.03 0.05 0.09 0.00 -0.01 0.01 -0.00 0.02 -0.21 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.03 -0.03 0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.02 0.22 0.14 -0.08 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.09 0.02 -0.08 0.01 0.04 -0.01 0.00 0.00 -0.01 -0.16 0.12 0.05 -0.01 0.01 -0.00 0.17 -0.28 0.16 -0.00 0.01 -0.01 0.09 -0.06 -0.00 0.01 -0.03 0.01 -0.00 -0.01 -0.01 0.03 -0.04 -0.02 0.02 0.39 0.23 -0.00 0.00 -0.00 0.05 0.04 0.01 -0.10 -0.08 0.02 -0.02 -0.00 0.01 0.03 0.02 -0.02 0.32 0.15 -0.07 -0.00 -0.00 0.01 -0.11 -0.05 -0.32 0.01 0.00 0.01 0.00 -0.00 0.00 0.07 -0.00 -0.04 -0.12 -0.00 0.07 -0.00 -0.00 -0.00 -0.04 0.03 -0.01 0.01 0.02 0.05 0.01 -0.01 -0.02 0.08 -0.01 0.21 -0.11 -0.02 0.21 0.00 0.00 -0.01 -0.01 -0.04 0.01 -0.01 0.01 0.03 0.00 0.00 -0.00 0.02 0.02 -0.07 0.02 -0.15 -0.14 0.02 -0.06 0.17 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.08 0.13 -0.14 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.03 0.01 -0.01 -0.00 -0.00 0.00 0.03 0.02 -0.01 0.11 0.05 -0.04 0.00 0.04 -0.01 -0.01 -0.00 0.02 0.26 -0.32 -0.10 0.01 -0.01 0.01 -0.18 0.30 -0.18 -0.00 0.00 0.00 0.21 -0.14 0.01 -0.04 0.02 0.01 -0.00 -0.01 -0.01 0.02 -0.03 -0.02 0.02 0.29 0.17 -0.02 -0.01 0.00 0.08 0.10 -0.03 0.20 0.20 -0.04 -0.01 0.00 -0.00 0.08 0.03 -0.09 0.07 -0.07 0.03 0.00 0.00 -0.00 0.01 -0.02 -0.03 -0.03 -0.01 0.02 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.09 0.00 0.05 0.00 0.00 -0.00 -0.04 0.06 -0.02 0.02 -0.09 0.05 -0.01 0.01 0.00 -0.03 0.05 -0.30 0.03 -0.15 0.33 0.00 0.01 -0.01 -0.02 -0.06 0.01 -0.09 0.01 0.07 0.00 -0.01 -0.00 -0.03 -0.02 0.03 -0.00 0.00 0.00 -0.01 0.05 0.07 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.04 -0.02 -0.01 0.01 -0.03 0.01 0.00 -0.00 0.02 0.21 0.16 -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.22 -0.12 0.04 -0.02 -0.05 -0.00 -0.00 -0.00 0.01 0.10 -0.06 -0.03 0.01 -0.01 0.00 -0.13 0.22 -0.12 0.00 -0.00 0.00 -0.10 0.07 0.00 -0.00 0.02 -0.01 0.01 0.01 0.01 -0.03 0.04 0.02 -0.01 -0.33 -0.19 0.00 -0.00 0.00 -0.05 -0.05 -0.00 0.06 0.04 -0.01 -0.02 -0.00 0.01 0.06 0.03 -0.07 0.41 0.14 -0.07 -0.00 -0.00 0.01 -0.15 -0.05 -0.38 0.06 0.03 -0.01 -0.00 0.00 0.00 0.02 0.00 -0.01 0.07 -0.00 -0.04 -0.00 0.00 -0.00 -0.02 -0.09 0.01 0.00 0.04 0.03 -0.00 0.01 0.02 -0.05 0.01 -0.12 0.07 0.04 -0.20 0.00 -0.00 0.01 0.01 0.04 -0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.01 -0.04 -0.04 0.09 0.02 -0.17 -0.17 -0.00 0.03 0.24 -0.02 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.03 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 -0.04 0.03 -0.02 -0.05 -0.00 -0.02 0.01 -0.00 0.29 -0.18 -0.09 -0.01 0.01 -0.00 0.22 -0.36 0.22 -0.01 0.02 -0.01 0.49 -0.32 -0.01 -0.06 -0.03 0.04 0.00 0.01 0.01 -0.03 0.03 0.01 -0.01 -0.28 -0.16 -0.02 -0.00 0.00 0.13 0.13 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.05 -0.03 -0.03 0.04 -0.04 0.02 -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 0.00 0.01 0.05 -0.00 -0.03 0.00 0.00 -0.00 -0.02 0.08 -0.01 0.01 -0.06 0.03 -0.02 0.02 0.01 -0.16 -0.12 0.06 0.18 -0.10 -0.06 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.12 -0.02 0.05 0.00 0.00 0.00 0.03 0.03 -0.09 0.00 -0.03 -0.03 0.02 -0.06 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.23 0.06 0.17 -0.04 -0.02 0.00 0.00 0.00 -0.00 -0.06 -0.03 0.02 0.00 -0.02 -0.01 -0.05 -0.02 0.01 0.01 0.01 0.00 0.22 0.59 0.04 -0.01 -0.01 -0.01 0.06 0.12 0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.08 -0.05 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.01 -0.05 -0.03 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.02 0.01 -0.01 -0.02 -0.01 0.00 0.51 0.25 -0.10 0.03 0.05 -0.03 -0.00 -0.00 -0.00 0.04 0.02 0.12 0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.17 -0.02 -0.12 0.09 0.02 -0.05 -0.00 0.00 -0.00 0.01 -0.06 0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.02 -0.03 0.07 0.02 0.01 -0.07 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.07 0.01 -0.03 -0.01 -0.00 -0.01 0.07 0.03 0.04 -0.01 0.06 0.03 0.02 -0.07 0.13 -0.04 -0.02 0.03 -0.00 0.00 0.00 -0.04 0.04 -0.01 -0.06 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 0.05 0.00 -0.02 0.01 0.00 0.43 -0.27 -0.13 -0.00 0.01 -0.01 0.19 -0.31 0.20 0.01 -0.02 0.01 -0.35 0.23 -0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.08 0.05 0.02 0.01 -0.00 -0.06 -0.08 0.02 -0.15 -0.16 0.03 -0.00 0.00 -0.00 0.02 0.01 -0.05 0.04 -0.05 0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.04 -0.07 0.02 -0.02 0.12 -0.05 -0.01 0.00 0.02 0.03 0.12 -0.39 -0.03 0.00 0.05 -0.01 -0.00 0.00 -0.02 0.01 0.00 0.26 0.05 -0.10 -0.00 0.00 0.00 0.04 0.03 -0.01 0.00 -0.01 -0.01 0.01 -0.06 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.02 -0.07 0.03 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.02 -0.01 0.01 -0.05 -0.12 -0.01 0.00 -0.00 0.00 -0.11 0.01 0.02 -0.00 -0.00 0.00 -0.05 0.08 -0.05 -0.00 0.01 -0.00 0.19 -0.13 0.00 -0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.03 -0.01 -0.00 0.00 0.06 0.10 -0.04 0.09 0.03 -0.04 -0.00 -0.00 0.00 0.02 0.01 0.01 0.04 0.03 -0.02 -0.00 -0.01 0.00 -0.01 0.02 0.03 0.04 0.01 -0.01 0.00 0.00 -0.00 -0.03 0.00 0.02 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.11 -0.17 0.04 -0.06 0.32 -0.13 0.00 0.01 -0.01 -0.09 -0.09 0.08 0.07 -0.11 0.19 -0.02 -0.01 0.00 -0.05 0.00 0.01 0.71 0.15 -0.27 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 -0.01 -0.02 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.35 -0.20 -0.10 0.03 0.02 -0.00 0.00 0.00 -0.01 -0.15 -0.09 0.06 -0.01 0.02 0.01 0.03 -0.00 -0.01 0.03 0.03 0.01 -0.16 -0.41 -0.03 -0.02 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.04 0.01 0.00 -0.00 0.00 -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 0.03 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.00 0.54 0.27 -0.08 0.14 0.14 -0.07 -0.01 -0.00 -0.01 0.09 0.05 0.28 -0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.12 0.01 0.08 -0.05 -0.01 0.03 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.06 0.03 -0.00 -0.00 0.00 0.02 0.02 -0.02 -0.01 0.01 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.10 -0.02 0.04 -0.01 -0.00 -0.00 0.06 0.03 -0.00 -0.01 0.02 -0.03 0.02 -0.07 0.15 -0.07 -0.06 0.05 0.00 0.01 0.01 -0.11 0.06 0.03 -0.01 -0.01 0.00 0.01 0.00 -0.02 -0.28 -0.16 0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.04 0.02 0.04 0.10 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.32 -0.15 0.06 0.49 0.21 -0.10 -0.01 -0.01 -0.01 0.15 0.08 0.47 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.05 0.00 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.06 -0.03 0.00 0.04 -0.27 -0.28 -0.01 0.04 0.06 -0.01 0.02 0.04 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.04 0.09 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.03 0.08 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.02 0.02 -0.01 -0.04 0.03 -0.04 0.56 -0.06 0.04 0.09 -0.39 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 0.01 -0.01 0.00 0.01 0.01 -0.06 -0.05 -0.10 -0.00 -0.12 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.12 0.10 0.04 0.14 -0.09 -0.02 -0.00 0.01 0.01 0.03 -0.09 0.02 -0.02 -0.06 -0.11 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.10 -0.12 -0.00 -0.00 0.00 0.10 0.08 -0.07 0.00 0.05 -0.05 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.03 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 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.15 -0.02 0.01 0.02 -0.10 0.15 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.02 0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.04 0.03 0.04 -0.01 0.08 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.04 0.03 0.01 0.04 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.04 0.01 -0.01 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.39 -0.42 0.48 0.00 -0.00 0.00 -0.41 -0.33 0.28 0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 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 0.05 0.09 0.00 0.00 -0.00 0.01 0.00 0.03 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.13 -0.01 0.01 0.02 -0.09 0.14 0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.08 0.09 0.01 -0.08 -0.04 0.03 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.02 0.00 -0.01 -0.01 -0.01 0.15 0.04 0.01 0.03 0.02 0.16 0.01 0.00 0.00 -0.09 -0.07 -0.03 -0.08 0.05 -0.00 -0.00 -0.05 -0.03 -0.14 0.53 -0.10 0.15 0.34 0.62 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.03 0.02 -0.02 0.51 0.30 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.05 0.04 -0.00 -0.03 -0.04 -0.04 0.01 0.38 0.66 0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.02 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 0.02 -0.08 0.01 -0.02 -0.05 -0.09 -0.01 -0.01 -0.00 0.12 0.06 0.01 0.00 -0.00 0.00 -0.03 0.14 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.03 0.09 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.09 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 0.02 -0.01 0.01 0.06 -0.01 -0.02 -0.50 0.55 0.06 -0.49 -0.27 0.21 -0.00 -0.00 -0.00 0.02 0.02 0.04 -0.00 0.05 -0.00 -0.01 0.00 -0.01 0.12 -0.00 0.01 0.03 0.00 0.10 -0.00 -0.00 -0.00 0.03 0.02 0.01 0.03 -0.02 -0.00 0.00 0.01 0.01 0.03 -0.10 0.02 -0.03 -0.07 -0.12 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -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 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.06 0.08 0.22 0.73 -0.30 -0.42 0.31 -0.00 0.00 -0.00 0.04 -0.00 0.00 0.01 -0.03 0.04 0.00 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.08 -0.06 -0.03 -0.09 0.07 0.01 0.00 0.00 0.00 0.01 -0.04 0.01 -0.02 -0.03 -0.05 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 0.03 -0.05 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 0.00 -0.06 0.02 -0.02 0.53 -0.16 -0.24 0.01 0.01 0.04 0.44 -0.16 0.62 -0.00 -0.00 0.00 0.03 0.05 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.02 0.04 0.08 0.03 0.07 -0.03 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.12 0.30 0.01 0.01 -0.00 0.00 -0.07 0.02 0.03 0.08 0.11 0.30 -0.06 0.01 -0.08 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.05 0.00 0.01 0.01 -0.03 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.02 -0.01 -0.01 0.00 0.00 0.06 -0.06 -0.01 0.05 0.03 -0.02 -0.01 -0.05 -0.03 0.28 0.21 0.49 -0.04 0.61 -0.06 0.00 0.00 0.00 -0.03 -0.00 -0.00 -0.01 -0.00 -0.03 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.03 -0.04 0.00 -0.00 0.00 0.04 0.04 -0.02 -0.00 -0.00 0.00 0.01 -0.28 0.58 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.03 -0.02 -0.00 -0.00 -0.01 0.05 0.00 0.05 0.02 0.05 -0.03 -0.33 -0.55 -0.07 -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 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 0.02 0.01 -0.01 0.01 -0.02 0.04 0.07 0.23 0.11 -0.19 0.09 -0.00 0.00 -0.00 0.02 -0.03 -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 -0.01 -0.00 -0.01 0.08 0.00 0.01 0.01 0.01 0.08 0.00 0.00 -0.00 -0.03 -0.01 -0.02 -0.01 0.00 0.03 0.00 0.00 0.00 0.01 -0.02 0.00 -0.01 -0.02 -0.03 -0.00 -0.01 -0.00 0.09 0.05 0.00 -0.00 0.00 -0.00 -0.02 0.10 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.11 -0.05 -0.03 0.00 -0.00 0.01 0.00 0.03 -0.07 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.06 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.05 0.10 0.01 0.00 0.00 0.00 0.00 -0.05 -0.06 0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.01 -0.03 0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.00 0.07 -0.05 0.09 0.07 -0.08 -0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.00 -0.01 0.01 -0.01 0.00 0.00 0.09 -0.10 -0.02 0.09 0.05 -0.04 -0.00 -0.00 -0.00 0.03 0.02 0.05 -0.00 0.05 -0.01 -0.04 -0.00 -0.04 0.61 0.02 0.06 0.08 0.05 0.58 -0.01 -0.00 -0.00 0.10 0.08 0.04 0.10 -0.07 -0.01 -0.00 0.01 0.00 0.02 -0.07 0.01 -0.03 -0.05 -0.09 -0.01 -0.02 -0.00 0.20 0.11 0.02 -0.01 0.01 -0.01 -0.05 0.21 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.02 0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 0.04 -0.01 0.38 -0.29 0.50 0.40 -0.45 -0.33 -0.00 0.00 -0.00 0.00 0.01 0.03 0.02 -0.03 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.00 -0.03 0.00 0.01 0.00 0.01 -0.12 -0.00 -0.01 -0.02 -0.01 -0.11 0.01 0.00 0.00 -0.05 -0.04 -0.02 -0.05 0.04 0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.02 0.04 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.04 -0.10 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.20 0.50 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.13 0.18 0.49 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.05 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 -0.04 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.08 0.01 -0.01 -0.01 0.05 -0.07 0.00 -0.00 0.00 -0.03 0.03 -0.04 -0.03 0.03 0.02 -0.01 0.01 -0.02 0.03 0.07 0.26 0.11 -0.21 0.10 -0.01 0.00 0.00 0.06 -0.07 -0.02 0.06 0.03 -0.02 0.01 0.02 0.01 -0.12 -0.09 -0.21 0.02 -0.26 0.03 -0.01 -0.00 -0.01 0.10 0.00 0.01 0.01 0.01 0.09 0.01 -0.00 0.00 -0.11 -0.09 -0.03 -0.12 0.09 0.01 0.00 0.00 0.00 0.01 -0.05 0.01 -0.02 -0.03 -0.06 0.00 0.00 0.00 -0.05 -0.03 0.00 0.04 -0.04 0.05 0.01 -0.05 -0.01 -0.05 -0.04 0.04 0.00 0.00 -0.00 -0.00 -0.02 0.05 -0.08 -0.04 0.00 0.00 -0.01 -0.01 -0.06 0.15 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.05 0.15 0.00 0.00 0.01 0.00 0.01 0.00 -0.02 -0.06 -0.01 0.00 0.01 0.01 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 -0.02 -0.04 0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.03 0.02 -0.04 -0.03 0.03 0.02 0.01 -0.01 0.03 -0.07 -0.10 -0.34 -0.15 0.28 -0.14 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.05 -0.03 -0.08 0.01 -0.10 0.01 0.01 0.00 0.01 -0.12 -0.00 -0.01 -0.02 -0.01 -0.10 0.01 0.00 0.00 -0.13 -0.10 -0.04 -0.13 0.09 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 -0.04 -0.01 0.47 0.25 0.01 0.02 -0.02 0.02 -0.12 0.50 0.07 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.07 -0.18 -0.06 -0.03 -0.00 -0.00 0.01 0.01 0.05 -0.12 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.03 -0.04 -0.12 -0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.08 0.19 0.03 0.00 0.00 0.00 0.01 -0.07 -0.07 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.03 0.02 -0.03 -0.03 0.03 0.02 -0.02 0.01 -0.04 0.05 0.11 0.49 0.23 -0.37 0.18 0.00 0.00 -0.00 -0.02 0.02 0.00 -0.02 -0.01 0.02 -0.00 -0.01 -0.00 0.04 0.03 0.07 -0.01 0.08 -0.01 0.01 0.00 0.01 -0.22 -0.01 -0.02 -0.03 -0.02 -0.20 -0.01 -0.00 -0.00 0.06 0.04 0.03 0.06 -0.04 -0.02 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 0.02 0.03 0.05 -0.01 -0.03 -0.00 0.32 0.17 0.00 -0.01 0.01 -0.02 -0.08 0.34 0.06 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.03 0.06 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.07 0.17 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 0.06 0.17 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 -0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.06 0.12 -0.03 -0.07 0.04 0.01 -0.01 0.01 -0.14 0.02 -0.01 -0.04 0.10 -0.16 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.02 -0.08 -0.04 0.06 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.05 -0.04 -0.09 0.01 -0.11 0.01 0.01 -0.00 0.01 -0.10 0.00 -0.01 -0.01 -0.01 -0.09 -0.06 -0.00 -0.00 0.47 0.36 0.15 0.48 -0.35 -0.05 -0.00 -0.01 -0.01 -0.03 0.12 -0.02 0.05 0.09 0.14 -0.00 -0.00 -0.00 0.03 0.02 -0.00 0.01 -0.01 0.02 -0.01 0.04 0.01 -0.02 -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 0.00 -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 0.03 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.04 0.05 -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 -0.04 -0.04 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.01 -0.14 -0.09 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.07 0.11 0.04 0.02 -0.05 0.02 0.03 0.00 0.07 -0.32 0.81 -0.40 0.00 0.00 -0.00 0.01 -0.02 -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 0.15 0.20 0.10 -0.02 0.01 0.04 -0.00 0.00 0.00 -0.02 -0.00 -0.07 -0.02 0.01 0.01 0.01 -0.00 0.03 0.04 -0.08 0.02 0.25 -0.07 -0.21 -0.01 -0.02 0.01 -0.03 0.04 -0.19 -0.03 -0.02 0.01 0.53 0.23 -0.16 0.00 0.00 -0.00 -0.03 -0.05 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.02 0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.06 0.03 0.02 -0.01 -0.39 -0.41 0.20 -0.01 0.05 -0.00 0.00 0.00 0.00 0.01 -0.04 0.01 -0.02 -0.00 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.05 -0.00 0.01 0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.02 -0.03 -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 -0.03 0.05 0.01 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.12 0.17 0.08 -0.02 0.01 0.03 0.00 -0.00 -0.00 0.03 0.00 0.08 -0.01 0.00 0.01 0.00 -0.00 0.02 -0.05 0.09 -0.02 0.20 -0.06 -0.17 -0.00 -0.01 0.00 -0.03 0.03 -0.15 -0.03 -0.01 0.01 0.42 0.18 -0.12 0.00 0.00 -0.00 -0.03 -0.04 0.01 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 0.00 0.00 0.02 -0.02 0.05 0.00 0.00 0.01 -0.02 0.03 -0.00 -0.00 -0.05 -0.08 -0.03 -0.03 0.02 0.49 0.51 -0.25 0.01 -0.06 0.00 0.00 0.00 0.00 0.01 -0.03 0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.05 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.04 0.01 -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.07 -0.03 0.00 -0.00 -0.00 -0.02 0.04 0.01 -0.06 -0.03 0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.08 0.12 0.06 0.02 -0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.01 0.03 0.01 -0.00 0.06 0.00 -0.01 0.00 0.58 -0.17 -0.49 -0.01 -0.01 -0.01 0.01 -0.02 0.09 0.03 0.01 -0.01 -0.42 -0.18 0.13 -0.00 -0.00 0.00 0.03 0.05 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.06 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.06 0.01 -0.01 0.00 -0.12 0.23 -0.03 0.00 -0.02 -0.03 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.02 -0.09 0.04 -0.06 -0.01 -0.10 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 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.02 -0.04 -0.01 -0.10 -0.05 0.04 0.01 0.00 0.00 0.01 -0.01 0.01 0.02 0.01 -0.01 0.10 0.14 0.07 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.02 0.01 -0.02 0.00 -0.23 0.06 0.19 -0.00 -0.01 0.02 -0.07 0.08 -0.39 0.01 0.00 -0.00 -0.09 -0.04 0.03 0.00 0.01 -0.00 -0.07 -0.10 0.03 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.12 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.02 -0.04 0.01 -0.33 0.63 -0.09 0.01 -0.06 -0.09 0.00 0.00 -0.00 -0.03 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.01 0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.06 0.08 0.02 -0.04 -0.06 -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 0.01 -0.01 -0.00 -0.28 -0.14 0.10 0.05 0.01 0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 0.04 0.06 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.03 0.01 -0.03 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.01 -0.00 0.00 0.09 0.04 -0.03 -0.03 -0.04 0.02 0.47 0.68 -0.23 -0.03 -0.05 -0.05 -0.02 -0.00 0.00 -0.01 -0.01 0.02 0.32 0.01 -0.05 0.01 -0.00 0.00 -0.05 0.07 0.09 -0.05 0.03 -0.12 0.00 -0.00 0.00 -0.03 0.07 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 -0.00 -0.01 0.01 0.00 0.18 -0.22 -0.05 0.03 0.05 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.02 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.04 -0.02 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.05 -0.10 0.03 0.08 -0.02 -0.07 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.05 -0.02 0.01 0.01 0.02 -0.01 -0.20 -0.28 0.10 0.01 0.02 0.02 -0.05 -0.00 0.01 -0.02 -0.04 0.06 0.79 0.03 -0.13 -0.00 0.00 0.00 0.05 -0.06 -0.07 0.02 -0.01 0.06 -0.00 0.00 -0.00 0.04 -0.07 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.05 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.05 0.01 0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 -0.01 -0.00 0.12 -0.14 -0.04 0.19 0.26 0.09 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.05 0.02 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.02 -0.01 0.04 0.06 0.02 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.02 0.01 0.05 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.07 0.02 0.06 -0.01 0.00 -0.04 0.10 -0.12 0.58 -0.01 -0.01 0.00 0.19 0.08 -0.06 0.00 0.00 -0.00 -0.04 -0.06 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.15 -0.01 0.03 -0.00 0.00 -0.00 0.03 -0.03 -0.04 0.02 -0.01 0.05 0.00 -0.00 0.01 -0.04 0.08 -0.01 0.00 -0.06 -0.12 0.00 0.00 -0.00 -0.05 -0.05 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.05 0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.00 0.00 -0.02 -0.00 -0.00 0.13 -0.18 -0.04 0.16 0.24 0.09 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.04 0.02 0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.51 -0.24 0.18 -0.03 -0.01 -0.00 0.05 -0.02 0.03 -0.03 -0.02 0.01 0.31 0.44 0.21 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.05 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.02 0.03 -0.01 -0.13 0.03 0.11 -0.02 -0.02 -0.03 0.04 -0.06 0.27 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.00 0.00 -0.00 -0.03 -0.04 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.12 -0.00 0.02 -0.00 0.00 0.00 0.02 -0.02 -0.03 0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.13 0.24 -0.04 -0.00 0.04 0.08 -0.00 -0.00 0.00 0.03 0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.09 -0.03 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.01 0.06 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.09 -0.12 -0.03 0.12 0.18 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.51 0.24 -0.18 0.08 0.01 0.00 -0.05 0.02 -0.03 0.01 0.01 -0.01 0.33 0.47 0.24 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.00 0.04 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.10 0.03 0.09 -0.02 -0.03 -0.01 -0.03 0.01 -0.11 0.01 0.01 -0.00 -0.19 -0.08 0.06 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 0.06 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 0.02 -0.01 0.21 -0.39 0.06 -0.00 0.04 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 0.04 -0.00 0.00 0.02 0.05 -0.04 -0.40 -0.03 0.00 0.02 0.01 0.01 0.00 -0.03 0.04 0.01 -0.08 -0.12 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.04 0.02 0.00 0.01 0.00 0.08 -0.14 -0.02 -0.23 -0.11 0.08 -0.16 -0.03 0.00 0.03 -0.01 0.01 0.01 0.00 -0.00 0.14 0.20 0.10 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 0.03 -0.01 -0.01 -0.00 -0.02 0.01 -0.08 0.01 0.00 -0.00 -0.13 -0.06 0.04 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 0.03 -0.04 0.03 -0.10 -0.01 0.02 -0.00 0.12 -0.24 0.04 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.02 0.00 -0.00 -0.05 -0.11 0.07 0.81 0.06 -0.00 -0.03 0.01 -0.01 -0.00 -0.08 0.10 0.02 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.05 0.11 -0.06 0.00 -0.01 -0.00 -0.12 0.21 0.03 -0.14 -0.07 0.05 0.09 0.01 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.04 0.04 -0.21 0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.00 0.11 0.15 -0.05 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.13 -0.00 0.02 -0.00 0.00 0.01 0.07 -0.09 -0.11 -0.02 0.01 -0.04 -0.00 0.00 -0.00 0.03 -0.05 0.01 -0.00 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 -0.01 0.00 -0.02 -0.00 -0.03 -0.00 0.00 0.01 0.01 -0.01 -0.08 0.01 0.00 0.00 -0.01 -0.06 -0.02 -0.32 0.38 0.08 0.43 0.59 0.22 -0.00 0.01 -0.00 0.01 0.01 0.00 0.03 -0.08 0.04 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.02 -0.01 0.01 -0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.07 -0.13 0.04 0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.08 -0.09 0.47 -0.00 -0.00 0.00 0.08 0.03 -0.02 -0.00 -0.00 0.00 0.05 0.07 -0.03 0.00 0.00 0.01 -0.02 0.00 0.00 -0.01 -0.02 0.03 0.30 0.01 -0.05 0.01 -0.01 -0.00 -0.05 0.07 0.09 -0.03 0.02 -0.08 0.00 -0.00 0.01 -0.05 0.10 -0.01 0.00 -0.05 -0.08 -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 0.02 -0.01 0.04 0.01 0.07 0.00 0.00 0.00 0.01 -0.01 -0.06 -0.03 -0.00 0.01 0.04 -0.02 -0.00 -0.42 0.55 0.12 -0.13 -0.21 -0.08 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.00 0.04 0.02 -0.01 0.03 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.02 -0.00 0.00 0.00 0.02 -0.04 -0.00 0.07 -0.00 0.17 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.32 0.61 -0.17 0.09 -0.03 -0.08 0.00 0.00 -0.00 0.01 -0.01 0.04 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.03 -0.01 -0.00 0.09 0.17 0.00 0.00 -0.00 -0.07 -0.07 0.03 -0.01 0.02 0.00 -0.02 -0.01 -0.03 -0.04 0.15 -0.07 0.29 0.05 0.51 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.03 0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.03 -0.01 0.01 -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.02 -0.03 -0.02 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 -0.11 0.03 -0.02 0.01 0.02 0.00 0.00 -0.00 0.02 -0.01 0.08 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.02 0.07 -0.04 0.15 0.00 -0.03 -0.05 -0.05 0.09 -0.03 -0.00 0.40 0.75 -0.00 -0.00 0.00 0.06 0.06 -0.03 -0.01 0.01 0.00 0.00 0.01 0.01 0.02 -0.07 0.03 -0.07 -0.01 -0.12 -0.02 -0.00 -0.00 -0.02 0.01 0.10 0.29 0.01 -0.06 0.00 -0.00 0.00 -0.03 0.05 0.01 -0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 -0.02 0.01 0.01 0.00 0.06 -0.09 -0.01 -0.11 -0.05 0.04 -0.18 -0.03 -0.00 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.02 0.02 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.06 -0.02 0.02 -0.01 -0.01 0.00 0.11 0.16 -0.05 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.03 0.02 -0.03 0.12 -0.15 -0.22 0.32 -0.19 0.71 -0.00 0.01 0.01 0.02 -0.03 0.01 0.00 -0.10 -0.19 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.03 0.01 0.06 0.00 -0.00 -0.01 -0.02 0.02 0.17 -0.03 -0.00 0.00 0.01 -0.00 0.00 -0.05 0.06 0.01 -0.04 -0.06 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.02 -0.01 0.02 0.00 0.17 -0.30 -0.04 0.02 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.02 -0.00 -0.02 0.00 -0.04 -0.00 0.00 0.00 0.00 -0.00 0.01 0.14 -0.27 0.07 0.05 -0.01 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.05 -0.03 0.02 -0.00 -0.00 0.00 0.04 0.07 -0.02 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.09 -0.01 0.02 -0.02 0.02 0.02 0.26 -0.32 -0.41 0.01 -0.00 0.05 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.05 0.10 -0.00 -0.00 0.00 0.04 0.04 -0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.04 0.18 -0.07 0.17 0.03 0.29 0.00 0.00 0.01 0.02 -0.02 -0.16 -0.04 -0.00 0.01 0.00 0.01 0.00 0.02 -0.02 -0.00 -0.06 -0.07 -0.03 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.03 -0.02 0.01 -0.03 -0.00 -0.28 0.48 0.07 -0.05 -0.02 0.02 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 0.03 -0.00 -0.04 0.00 -0.09 -0.01 0.00 0.00 0.00 -0.00 0.01 0.22 -0.42 0.11 0.08 -0.02 -0.07 0.00 0.00 0.00 -0.01 0.01 -0.05 -0.00 -0.00 0.00 0.04 0.02 -0.01 0.00 0.00 -0.00 -0.03 -0.05 0.02 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.18 -0.01 0.04 0.01 -0.01 -0.01 -0.14 0.17 0.22 -0.03 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.00 -0.00 0.00 0.04 0.04 -0.02 0.00 -0.01 0.00 -0.01 -0.02 -0.02 -0.07 0.31 -0.12 0.27 0.04 0.47 -0.00 -0.00 -0.01 -0.01 0.01 0.10 0.09 0.00 -0.02 -0.01 -0.00 -0.00 0.03 -0.05 -0.01 0.06 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.02 0.00 0.18 -0.31 -0.05 -0.04 -0.02 0.01 -0.09 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.01 0.02 -0.00 0.00 -0.00 0.01 0.00 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.04 0.01 0.00 -0.00 -0.10 -0.04 0.03 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.01 -0.06 -0.29 0.36 0.43 0.21 -0.13 0.42 -0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.00 0.03 0.05 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.01 -0.15 -0.05 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.08 0.11 0.04 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.03 -0.07 0.04 0.01 -0.03 -0.00 -0.25 0.44 0.06 -0.02 -0.01 0.01 0.13 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.04 0.22 0.05 0.57 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.04 -0.00 0.03 -0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.00 -0.01 -0.00 0.00 0.00 0.02 -0.02 -0.03 -0.01 0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.04 0.02 -0.00 0.01 -0.00 0.02 -0.04 0.03 -0.14 0.65 -0.22 -0.17 -0.05 -0.29 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.00 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.04 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.02 0.01 0.00 -0.12 -0.24 0.00 0.01 -0.00 -0.06 -0.09 0.04 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.05 -0.02 -0.02 -0.01 -0.03 -0.06 -0.00 0.02 -0.01 -0.01 -0.13 0.92 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 0.06 -0.03 -0.00 -0.01 -0.00 -0.05 0.08 0.01 0.01 0.01 -0.00 0.07 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 -0.02 0.01 -0.05 0.26 0.07 0.69 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.10 -0.21 0.04 -0.02 0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.07 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.03 -0.04 0.02 -0.00 0.01 -0.00 -0.01 0.03 -0.02 0.11 -0.50 0.17 0.11 0.03 0.20 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.05 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.00 0.12 0.05 -0.04 0.09 0.02 -0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.02 -0.01 -0.05 -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 0.02 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 0.01 -0.01 -0.01 -0.02 0.01 -0.04 -0.00 -0.00 -0.01 0.03 -0.09 0.01 -0.01 0.09 0.17 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.04 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.08 -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 -0.06 -0.00 0.00 0.08 -0.20 -0.03 -0.10 -0.05 0.03 0.91 0.20 -0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.06 0.34 -0.15 0.92 0.00 -0.00 -0.00 -0.06 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 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 -0.02 -0.03 -0.05 0.03 0.04 -0.04 0.25 0.48 0.83 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.24 0.38 0.89 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.06 -0.05 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.03 -0.06 0.00 0.05 0.02 -0.02 -0.45 0.89 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 -0.01 -0.06 0.31 0.22 0.92 0.01 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.05 -0.15 -0.52 0.83 -0.07 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -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 0.01 -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 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 0.05 -0.04 -0.01 -0.00 0.00 0.74 -0.41 0.52 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 270.15847 5715.52280 7607.78625 8972.02732 0.99994 -0.01054 0.00185 0.01053 0.9999 0.00916 -0.00195 -0.00914 0.99996 asymmetric 1 0.01515 0.01138 0.00965 0.31576 0.23722 0.20115 973920.8 40.11 50.44 57.63 63.59 64.47 70.83 78.48 82.98 86.00 95.52 97.67 99.30 115.15 121.57 133.06 143.69 190.88 202.08 205.24 226.33 232.77 249.31 261.27 266.06 277.07 280.84 289.33 289.56 296.78 303.49 315.15 323.25 329.32 333.11 342.32 356.59 359.80 367.16 376.27 379.70 394.37 400.33 409.82 416.19 438.26 454.57 587.51 607.31 611.50 620.00 647.41 674.51 680.85 737.98 749.92 779.37 809.00 813.76 840.40 848.19 868.03 887.04 909.30 929.01 938.13 950.92 959.55 966.92 981.36 993.54 1012.41 1035.48 1042.77 1071.76 1109.93 1131.69 1142.86 1147.56 1183.17 1222.94 1241.12 1258.87 1265.63 1304.16 2296.80 2304.28 2316.87 2323.13 2331.45 2341.23 2345.64 2352.57 2369.78 2374.38 2378.92 2383.04 2385.98 2392.28 2394.15 4643.68 4728.30 4730.19 4757.57 4796.09 4809.99 4838.41 4878.18 4897.69 4942.68 4958.67 4977.72 5005.47 5029.64 5037.36 5039.27 5075.66 5076.10 5094.32 5097.47 5126.05 5146.52 5176.84 5507.26 5507.56 5508.04 5511.96 5516.84 5517.27 5518.66 0.370947 0.408459 0.409403 0.301964 -1146.857126 -1146.819614 -1146.818670 -1146.926109 256.312 128.220 226.125 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 34.322 254.534 122.259 149.122 1 0.593 1.984 5.975 2 0.594 1.982 5.520 3 0.594 1.981 5.256 4 0.595 1.980 5.062 5 0.595 1.979 5.034 6 0.595 1.978 4.848 7 0.596 1.976 4.645 8 0.596 1.974 4.535 9 0.597 1.973 4.465 10 0.598 1.970 4.258 11 0.598 1.970 4.214 12 0.598 1.969 4.181 13 0.600 1.963 3.890 14 0.601 1.960 3.784 15 0.602 1.955 3.607 16 0.604 1.949 3.457 17 0.613 1.921 2.907 18 0.615 1.913 2.798 19 0.616 1.911 2.768 20 0.621 1.894 2.582 21 0.622 1.889 2.529 22 0.627 1.875 2.400 23 0.630 1.865 2.312 24 0.631 1.860 2.278 25 0.635 1.850 2.203 26 0.636 1.847 2.178 27 0.638 1.838 2.123 28 0.638 1.838 2.122 29 0.641 1.831 2.076 30 0.643 1.824 2.036 31 0.647 1.812 1.967 32 0.649 1.803 1.921 33 0.652 1.797 1.888 34 0.653 1.793 1.867 35 0.656 1.783 1.818 36 0.661 1.766 1.746 37 0.663 1.763 1.730 38 0.666 1.754 1.694 39 0.669 1.743 1.652 40 0.670 1.739 1.636 41 0.676 1.721 1.570 42 0.679 1.714 1.544 43 0.683 1.702 1.504 44 0.686 1.694 1.478 45 0.696 1.665 1.391 46 0.703 1.643 1.331 47 0.773 1.452 0.933 48 0.784 1.422 0.885 49 0.787 1.416 0.875 50 0.792 1.403 0.856 51 0.809 1.361 0.796 52 0.826 1.319 0.741 53 0.830 1.309 0.729 54 0.868 1.221 0.627 55 0.876 1.203 0.607 56 0.897 1.158 0.562 57 0.918 1.113 0.519 58 0.921 1.106 0.513 59 0.941 1.066 0.478 60 0.947 1.054 0.468 61 0.962 1.025 0.444 62 0.976 0.997 0.422 0.536936e+32 31.729922 73.060846 0.435103e+17 16.638592 38.311775 0.100000e+01 0.000000 0.000000 0.174535e+09 8.241882 18.977634 0.707047e+07 6.849448 15.771437 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -5.1182 -0.5005 -1.5520 5.3717 -124.1012 -122.5147 -84.1961 -16.4561 5.4830 9.8246 -13.8305 -12.2440 26.0745 -16.4561 5.4830 9.8246 -111.9088 18.2155 -2.7269 -63.4166 59.1974 -64.6521 10.3053 -53.1032 20.4289 60.0755 -4129.2004 -2582.0825 -1155.7088 -105.1057 183.3889 -293.1561 105.9206 67.7107 97.2622 -1151.5840 -667.0556 -679.5189 45.2871 -83.2333 71.6794 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1147.2280732 5.477E-9 8.045E-6 0.3709469 0.4084589 -1146.8196143 -1146.8186701 -1146.9261093 2.9367033,15.468832,-18.4055353,3.3150406,-1.2761773,-13.9967486 C01 [X(H30O15)] 1.4937933 0.9019478 1.192237 -0.9033635 -0.0083289 -0.0534704 -0.0084722 -1.0385369 -0.0574641 -0.1039319 -0.0736785 -1.0885861 0.3798156 0.0468277 0.0797205 0.0271948 0.829905 0.3769399 0.0705122 0.3059007 0.604159 0.4074734 -0.0189832 -0.0087702 0.0018301 0.2860214 0.0110124 -0.0079258 -0.0470991 0.3948993 -1.0796462 -0.0791762 0.1013449 -0.0772994 -0.904931 -0.0668221 0.0824712 -0.0553466 -1.2012978 0.4695318 0.2359387 -0.0505206 0.1727073 0.6802353 -0.1144367 -0.0421527 -0.1377408 0.4627444 -0.7247937 0.1900397 -0.0948741 0.1733456 -1.129922 -0.032647 -0.0793626 -0.0039826 -1.1223944 0.3036118 -0.0830191 0.0025194 -0.0392553 0.3806399 0.0266079 -0.035103 0.0002292 0.3989324 0.8782297 -0.1434801 -0.1369355 -0.0776187 0.3727027 0.0185504 -0.1280925 0.0350285 0.4381649 0.4824055 -0.2226844 0.1716204 -0.2473619 0.6843171 -0.3012164 0.1884028 -0.2866701 0.7177052 -1.1947383 -0.0513115 -0.0618643 -0.0621617 -1.2315695 -0.06906 -0.0530416 -0.0562686 -1.1670347 0.6243466 0.27775 -0.1356854 0.3090145 0.7317579 -0.2430078 -0.1223413 -0.1978751 0.4303096 -1.1902849 0.0093136 -0.020753 -0.0079996 -0.75239 0.0225272 -0.0233798 0.0602179 -1.1400581 0.4957045 -0.0082708 0.2260777 -0.0184744 0.3173408 -0.0442462 0.2342579 -0.021004 1.0632445 -1.0897224 0.1908766 -0.0212448 0.2116052 -0.7910508 -0.1471805 -0.0266284 -0.1795054 -1.0596098 0.4917085 -0.0869548 -0.1538284 -0.0983917 0.4722232 0.2829454 -0.1593719 0.2583618 0.8860881 0.4238619 -0.0373556 0.0175659 -0.0277089 0.2997441 0.016211 0.020719 0.0748386 0.3678674 -1.0405434 0.0434215 -0.1572836 0.0325252 -0.9966868 -0.0602262 -0.1311932 -0.0490387 -1.0035071 0.3017268 -0.0580711 0.0478348 -0.0426665 0.4042571 0.0259163 -0.0051118 0.0084488 0.3841806 0.5461462 -0.0265699 0.3474778 -0.0300622 0.3842804 0.0002972 0.37518 0.0043941 0.8943281 -0.9105556 -0.0140473 0.0979848 -0.0235931 -1.1495597 -0.023122 0.0882797 -0.0052346 -1.1476969 0.4442492 -0.1642871 0.0860829 -0.2182676 0.7217172 -0.1391892 0.1107946 -0.1442276 0.4882527 0.6345179 0.2449232 -0.0816245 0.3084453 0.6050684 -0.0693076 -0.099465 -0.0685128 0.4433058 -1.1230562 0.1657147 -0.1779534 0.1554931 -1.0829144 -0.0909184 -0.1659653 -0.1035456 -1.292086 0.9400453 -0.2453007 -0.0982592 -0.2755908 0.4575808 0.0698169 -0.1079605 0.0686095 0.435209 0.3682626 -0.098956 0.0434951 -0.0559907 0.8827692 -0.1168184 0.0337366 -0.1034769 0.4556111 -0.7476353 -0.052387 -0.020909 -0.0643285 -1.1119528 -0.0729012 -0.0184375 -0.0901056 -1.2699122 0.3349413 0.0105778 -0.1266221 0.0172443 0.5090668 0.253334 -0.0825921 0.2376427 1.0705488 0.3204189 0.0447918 -0.0215708 0.0415449 0.4129364 -0.0025047 -0.0687787 0.0206134 0.3559195 -1.1249342 -0.0145859 -0.0208652 -0.0098011 -1.0171132 0.1817143 -0.0178737 0.163525 -1.0357367 0.7180278 -0.1136201 -0.21545 -0.0571317 0.3665236 0.0209744 -0.2057674 0.0531499 0.5528395 0.5595278 0.2937217 0.0154701 0.2354297 0.7135318 -0.0185388 -0.0001458 -0.0424707 0.3967776 -1.1786927 0.0427592 0.0716062 0.0234479 -0.992985 0.1290597 0.0796659 0.137235 -1.0898438 0.3789432 0.0486409 -0.0452652 0.0825354 0.831882 -0.2222557 -0.0832521 -0.2617227 0.5288744 0.571772 -0.0110812 0.2321825 -0.045464 0.3740402 -0.0093988 0.2601981 0.0291937 0.7006069 -1.158043 -0.0038975 -0.0546929 0.0102669 -1.186327 0.0187466 -0.0344568 0.0114505 -1.1739702 0.8064412 -0.2346865 0.1075249 -0.2934312 0.5434956 -0.1316328 0.0592636 -0.0995698 0.4020913 0.3412735 -0.0195024 -0.0658312 0.0211576 0.7176076 0.339271 -0.0316168 0.3012269 0.6962311 -1.2102526 0.0403894 0.0651443 0.0738401 -0.8694333 -0.0528192 0.0799682 -0.0354518 -1.0770909 0.3852604 0.0541407 0.0221147 -0.0039677 0.2842571 -0.0043658 0.0189219 -0.0326141 0.4105658 1.1101078 0.0105933 -0.29066 0.0415299 0.3031694 -0.0274636 -0.2995667 -0.0108342 0.5336932 -1.0642078 0.0039188 -0.0530454 0.0056175 -1.0846978 0.1535259 -0.0450359 0.1554843 -0.998413 0.764493 -0.230778 -0.0797006 -0.2029601 0.5107172 0.0185316 -0.0422506 -0.006599 0.3848302 0.4549742 0.044604 0.3022079 0.0428639 0.4540325 0.155873 0.2891939 0.1466051 0.8926922 0.4749199 0.0614927 0.1852061 0.0317965 0.3882394 -0.0065677 0.1453163 0.0200347 0.7293777 0.3277315 -0.0331007 0.0244988 -0.031437 0.4200104 0.0022558 0.0839198 0.0203848 0.3471874 168.604485|-1.5468631|167.688607|1.0617114|0.4858047|169.6068279 -0.000011383 0.000020352 -0.000002547 -0.000007937 0.000004853 0.000001356 -0.000002538 0.000001669 0.000000687 -0.000009781 -0.000014024 -0.000006728 -0.000003367 0.000020774 0.000018053 -0.000009963 -0.000002433 -0.000007092 0.000004334 0.000001267 0.000003133 0.000014773 -0.000006160 0.000003087 -0.000001329 0.000003622 -0.000001344 0.000013054 -0.000001396 0.000015380 0.000002871 0.000006767 -0.000015501 0.000005946 -0.000015358 0.000004275 -0.000014328 0.000003607 0.000000436 -0.000001064 0.000003537 -0.000002469 -0.000001280 -0.000001899 0.000002899 -0.000000839 -0.000001730 0.000003522 -0.000001812 -0.000000457 0.000011448 0.000001788 0.000005043 0.000002759 -0.000003851 0.000001344 -0.000010309 -0.000002221 -0.000003310 0.000008923 -0.000002679 -0.000001310 0.000002219 0.000004336 0.000004047 -0.000004197 -0.000009268 0.000007175 -0.000005421 0.000011114 -0.000005874 -0.000004948 -0.000002282 -0.000002706 0.000009071 -0.000004546 -0.000005857 -0.000003167 0.000015040 0.000015693 -0.000019562 0.000001948 -0.000002621 0.000003695 0.000006603 -0.000001478 -0.000003932 -0.000000278 -0.000012740 0.000004514 -0.000004462 0.000012292 -0.000000192 -0.000004790 0.000011878 0.000001012 -0.000003644 -0.000020655 0.000005421 -0.000001226 0.000000998 -0.000004973 0.000006649 -0.000010038 0.000003285 0.000001094 -0.000002639 0.000010240 -0.000002765 0.000000467 -0.000008036 -0.000006501 0.000000487 0.000005434 0.000000686 -0.000002147 -0.000000511 0.000016740 -0.000004946 -0.000002180 0.000005218 0.000005961 0.000021504 -0.000008576 0.000007789 -0.000007156 0.000006852 -0.000001123 -0.000002760 -0.000005101 -0.000002178 -0.000018279 0.000008767 -0.000016543 -0.000011049 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF67/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 15-agua/ CONF67 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1442.5029671053 45 45 45 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0480329334 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.963803 0.000000 6.838661 3.652427 0.000000 2.826727 4.919369 7.690057 0.000000 1.865005 4.527572 7.419685 0.977551 0.000000 4.237478 1.774634 4.965697 5.590499 5.065268 0.000000 4.248386 2.303950 5.106695 6.042716 5.394254 0.965147 0.000000 3.158119 4.457453 7.383274 0.979763 1.545689 5.077779 5.653705 0.000000 3.573656 2.113098 5.650811 4.833144 4.294959 0.988250 1.551696 4.323072 0.000000 4.078039 0.984245 3.216044 4.702892 4.422695 2.755875 3.242296 4.297812 2.985330 0.000000 4.371960 1.570738 3.748635 4.396258 4.309449 3.138816 3.824829 3.848688 3.215792 0.984485 0.000000 6.390002 3.358410 0.965266 6.960036 6.773122 4.903231 5.169665 6.656822 5.456556 2.705415 3.101449 0.000000 5.539152 2.377707 1.561163 6.170804 5.943974 3.977952 4.297195 5.829765 4.484299 1.731367 2.222956 0.988752 0.000000 7.649108 4.202738 4.676760 7.202730 7.356107 5.037161 5.857288 6.411976 5.402927 4.026146 3.410198 4.285963 3.972921 0.000000 7.700359 4.242222 4.038650 7.290608 7.441125 5.349813 6.097069 6.586301 5.762382 3.873949 3.334654 3.594169 3.462112 0.986738 0.000000 7.538909 3.849455 4.374251 7.434095 7.466716 4.471185 5.239215 6.652669 4.966954 3.856674 3.426033 4.157972 3.790989 0.965150 1.549097 0.000000 4.184037 3.930212 7.013349 2.791609 3.113811 4.344024 5.136740 1.816255 3.674072 3.944417 3.266797 6.347333 5.482782 5.071375 5.459111 5.293679 0.000000 5.021981 4.761984 7.792538 3.393024 3.835337 5.029698 5.858136 2.437550 4.356426 4.808193 4.065376 7.124994 6.286402 5.321350 5.813245 5.605841 0.964842 0.000000 4.562766 3.506634 6.274311 3.297603 3.624266 4.208982 5.061816 2.376195 3.736225 3.382849 2.559569 5.578371 4.765121 4.168456 4.505063 4.462793 0.985386 1.561049 0.000000 7.903664 4.741334 3.393937 7.512412 7.669587 6.206887 6.818379 6.987875 6.628143 4.071528 3.710006 2.801093 3.096170 2.757402 1.779593 3.198944 6.269184 6.757217 5.302700 0.000000 7.517209 4.747210 3.890850 6.851114 7.096856 6.307149 6.960099 6.357110 6.591310 3.974810 3.477628 3.114807 3.273881 3.030432 2.174237 3.632757 5.761599 6.238816 4.802008 0.978995 0.000000 7.363590 4.155374 2.435248 7.290357 7.332340 5.678012 6.191210 6.832739 6.159450 3.466808 3.324646 1.827977 2.227844 3.125980 2.212634 3.324020 6.239404 6.841789 5.318617 0.979644 1.542965 0.000000 2.773494 3.243671 4.684378 3.845088 3.361018 4.518721 4.597429 4.061575 4.367370 2.746325 3.241562 4.132024 3.518917 6.570244 6.277509 6.547863 4.852284 5.805702 4.660484 5.932292 5.566120 5.270239 0.000000 3.004044 2.314994 4.035714 3.919078 3.501418 3.750506 3.953216 3.891161 3.688542 1.761568 2.298992 3.465760 2.719680 5.629134 5.375291 5.573765 4.314606 5.270033 4.002286 5.179390 4.877115 4.526016 0.986164 0.000000 2.962370 3.788248 5.227648 3.281540 2.995383 5.130254 5.333912 3.590442 4.868583 3.175602 3.402043 4.540373 3.975952 6.662754 6.358335 6.777359 4.593990 5.504897 4.417928 5.952192 5.436858 5.409574 0.980086 1.562115 0.000000 3.885262 5.121842 6.584185 2.721898 2.964569 6.447895 6.812517 3.192861 6.030540 4.451486 4.291641 5.754388 5.267980 7.177697 6.893529 7.512187 4.516764 5.248882 4.419502 6.452924 5.709148 6.154257 2.824780 3.210705 1.847748 0.000000 3.370367 4.939259 6.935331 1.739742 2.106081 6.075347 6.485991 2.265088 5.534569 4.409161 4.167253 6.126140 5.509089 7.076810 6.928238 7.390258 3.757413 4.460725 3.830981 6.739821 6.007261 6.480226 3.041430 3.306451 2.169645 0.989338 0.000000 4.198807 5.948385 7.314240 3.136566 3.333965 7.213878 7.504293 3.804158 6.764379 5.305785 5.218417 6.511597 6.072043 8.137888 7.833917 8.468356 5.307066 6.004098 5.303070 7.314052 6.563478 6.994802 3.324840 3.906731 2.390863 0.965129 1.560583 0.000000 2.804383 3.293942 6.929336 3.602297 3.088214 2.730904 3.157507 3.129960 1.746758 3.861743 3.837963 6.552980 5.566957 6.265331 6.658445 6.047294 2.801460 3.417465 3.307277 7.481963 7.229840 7.119403 4.486760 4.038577 4.716905 5.467145 4.747946 6.104917 0.000000 1.830840 3.327194 6.815225 3.121164 2.412259 3.069128 3.314924 2.897559 2.167997 3.762820 3.870854 6.412664 5.448971 6.706485 6.974177 6.522215 3.129940 3.873069 3.616242 7.580565 7.278995 7.144258 3.788550 3.515734 4.023665 4.847912 4.162556 5.401097 0.977940 0.000000 3.134811 3.295519 6.862986 3.116113 2.854975 3.109545 3.738417 2.441272 2.217379 3.693395 3.428595 6.379972 5.410856 5.717689 6.127834 5.631687 1.826101 2.459987 2.390755 6.977441 6.646561 6.720637 4.486341 3.976021 4.547421 5.043123 4.282936 5.748938 0.979185 1.546102 0.000000 5.968328 5.346383 5.199287 5.139885 5.394959 7.060903 7.487817 5.205801 7.004445 4.388571 4.191643 4.285449 4.258325 6.199731 5.581664 6.655868 5.781488 6.472068 5.201556 4.527291 3.768996 4.303337 3.730076 3.747294 3.120252 2.795099 3.578879 3.324274 7.050284 6.625784 6.554763 0.000000 5.793438 4.953509 4.446108 5.448200 5.534324 6.690855 7.024623 5.523465 6.733887 3.993007 4.004172 3.589904 3.639775 6.166461 5.499189 6.500282 6.057408 6.830698 5.463299 4.365022 3.774837 3.944015 3.269163 3.295332 2.879897 3.135791 3.931821 3.651690 6.969976 6.510789 6.587852 0.982185 0.000000 5.189926 5.124308 5.599324 4.237346 4.504388 6.747258 7.166402 4.398126 6.567492 4.231550 4.026450 4.695228 4.472524 6.419398 5.924516 6.843409 5.195663 5.908524 4.748908 5.112977 4.338503 4.861937 3.216600 3.349744 2.436964 1.819811 2.622128 2.397909 6.416849 5.933295 5.927495 0.977668 1.547425 0.000000 5.420699 3.187163 5.001104 4.482967 4.755801 4.368328 5.220541 3.728938 4.274604 2.761857 1.778625 4.257908 3.605924 2.782006 2.893952 3.233416 2.709229 3.188954 1.729629 3.580819 3.112295 3.674993 4.594034 3.788723 4.422666 4.617271 4.380026 5.578351 4.480741 4.711611 3.736840 4.396715 4.575752 4.263970 0.000000 6.153178 3.346949 4.821346 5.414872 5.637365 4.394556 5.276191 4.624963 4.469790 3.041319 2.146954 4.182023 3.605834 1.816747 2.083310 2.314769 3.389956 3.743213 2.434173 3.170157 2.920668 3.368272 5.271480 4.387517 5.215402 5.546519 5.346721 6.510734 4.945522 5.295739 4.264641 5.039226 5.138883 5.043383 0.982141 0.000000 5.814005 3.775674 4.964445 4.678894 5.044200 5.164048 5.957495 4.046686 5.100806 3.130274 2.221896 4.117534 3.639493 3.082194 2.917524 3.690159 3.357393 3.816639 2.418832 3.151112 2.470454 3.342784 4.619261 3.910423 4.317500 4.303854 4.237494 5.248868 5.265286 5.370485 4.518231 3.652724 3.939740 3.643112 0.982875 1.557400 0.000000 6.852262 5.027033 5.094473 5.622577 6.053035 6.625908 7.318995 5.214024 6.642817 4.175677 3.504395 4.166590 4.072824 4.042723 3.492197 4.752596 4.936801 5.377335 4.077471 2.809527 1.837527 3.141774 5.098718 4.589208 4.661390 4.385516 4.669425 5.206920 6.833848 6.782937 6.126071 2.695176 3.150621 3.086618 2.751215 3.090284 1.778124 0.000000 7.546379 5.927479 6.001816 6.019805 6.567616 7.477054 8.202807 5.619944 7.441868 5.100667 4.378456 5.084284 5.031475 4.579913 4.081901 5.387174 5.362123 5.671348 4.548047 3.438458 2.477381 3.929424 5.901330 5.454168 5.366733 4.799537 5.071768 5.548107 7.506458 7.475579 6.733336 3.140995 3.774378 3.528197 3.375059 3.693460 2.410762 0.964856 0.000000 6.446720 5.022988 4.995893 5.319021 5.703177 6.706416 7.309331 5.074784 6.694708 4.094782 3.583181 4.035522 3.969822 4.797666 4.203325 5.403479 5.131537 5.683871 4.364818 3.306554 2.392557 3.392373 4.491918 4.137163 3.984393 3.670572 4.121070 4.430100 6.830450 6.637905 6.188961 1.704706 2.234871 2.174774 3.227931 3.730384 2.313412 0.991955 1.567693 0.000000 5.667333 4.546061 3.395803 6.198672 5.997320 6.188231 6.300365 6.293699 6.411372 3.711427 4.149544 2.814893 2.987815 6.491630 5.811163 6.569752 6.759328 7.637060 6.198261 4.706623 4.469154 3.957874 2.895333 2.955215 3.059844 4.168069 4.876213 4.611182 6.976651 6.465558 6.829238 2.802185 1.825606 3.115762 5.300963 5.715422 4.910316 4.487286 5.274091 3.753777 0.000000 5.878246 4.045629 2.442098 6.449126 6.247264 5.703456 5.855921 6.400186 6.045632 3.223133 3.682950 1.847249 2.150910 5.727465 5.024547 5.749416 6.600418 7.458990 5.953557 3.947558 3.863907 3.116115 3.197121 2.951954 3.489736 4.685186 5.280454 5.264827 6.810690 6.416738 6.656420 3.176489 2.255882 3.573481 4.882050 5.150388 4.549620 4.238194 5.097251 3.683205 0.978950 0.000000 0.984331 3.537808 6.037951 3.072756 2.238358 4.162702 4.164578 3.391808 3.684313 3.485015 3.885803 5.575310 4.782863 7.269128 7.206026 7.172160 4.374238 5.288702 4.548201 7.234047 6.861592 6.638971 1.808160 2.153603 2.124950 3.388489 3.097618 3.753554 3.306330 2.406148 3.532050 5.200746 4.931845 4.485343 5.102256 5.827273 5.389190 6.266554 7.008014 5.788260 4.699204 4.939061 0.000000 4.714778 4.013086 3.675683 5.444948 5.152547 5.578581 5.652954 5.591684 5.711083 3.247949 3.765576 3.107775 2.968973 6.529552 5.969113 6.558932 6.171481 7.086887 5.716774 5.116114 4.835152 4.361968 1.945661 2.142147 2.224937 3.607505 4.225450 4.054374 6.176925 5.601399 6.089906 2.971054 2.113080 2.971426 5.059388 5.568788 4.798811 4.679819 5.498151 3.952487 0.976196 1.538234 3.740074 0.000000 0.964750 4.745717 7.458116 3.504371 2.538552 4.881018 4.731120 3.972566 4.247205 4.892407 5.272145 7.069046 6.256671 8.568729 8.603498 8.422438 5.090829 5.890662 5.514967 8.752743 8.381608 8.166150 3.298805 3.702291 3.536899 4.452637 4.004231 4.586802 3.497252 2.532220 3.957808 6.623420 6.404182 5.832743 6.378851 7.104178 6.751758 7.720021 8.411290 7.254665 6.148711 6.438086 1.563514 5.174831 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6528,.6195,-1.0269;-.3315,-1.4865,-1.5224;2.8274,-.3688,-2.9757;-3.1128,.9408,1.7291;-3.4371,.8375,.8127;-1.3881,-2.8179,-2.0327;-1.7341,-2.664,-2.9205;-2.6732,.0881,1.9281;-2.131,-2.5897,-1.4222;.1921,-.7321,-1.1684;.3518,-.9377,-.2189;2.6146,.0128,-2.115;1.7349,-.3601,-1.8605;2.7628,-3.1214,.8046;3.2875,-2.335,.5218;2.5294,-3.5748,-.0148;-1.8807,-1.5382,2.0892;-2.0098,-2.0473,2.8986;-.9079,-1.5024,1.9365;4.0369,-.7594,.1712;3.5828,-.2042,.8375;3.6162,-.5037,-.6757;-1.1219,1.6591,-1.481;-.6694,.7957,-1.3316;-1.1233,2.1032,-.6073;-1.2519,2.8216,1.0902;-1.9104,2.1579,1.4138;-1.7067,3.6728,1.0992;-3.3192,-2.0567,-.2581;-3.4984,-1.1443,-.5611;-2.8274,-1.9419,.5808;1.5255,2.9536,.8057;1.6204,2.8599,-.1674;.5612,2.9067,.9598;.7484,-1.3223,1.4717;1.3746,-2.0591,1.2995;1.3157,-.569,1.7487;2.5001,.7357,1.9868;2.7966,.963,2.8764;2.166,1.5757,1.5784;1.5639,2.6205,-1.9764;2.0137,1.7595,-2.097;-2.8102,1.0303,-1.3274;.6159,2.3879,-1.9655;-4.3584,1.0245,-1.5453; 0.3157614 0.2372229 0.2011520 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 9.16D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 525 523 524 525 525 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22807318615 -1147.22807319 1 1.143316445683e+03 -5.596020519928e+03 1.863005969173e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT256.500S Thu Jul 18 23:23:49 2024 -19.13018 -19.12907 -19.12807 -19.12747 -19.12683 -19.12180 -19.12159 -19.12052 -19.11851 -19.11708 -19.11522 -19.11511 -19.11401 -19.11394 -19.11233 -1.02982 -1.02409 -1.02173 -1.02012 -1.01612 -1.01396 -1.01277 -1.00953 -1.00639 -1.00049 -0.99840 -0.99540 -0.99368 -0.99201 -0.98808 -0.54281 -0.54205 -0.54190 -0.53823 -0.53712 -0.53148 -0.53126 -0.52992 -0.52894 -0.52772 -0.52576 -0.52281 -0.52132 -0.52102 -0.51939 -0.45067 -0.43754 -0.43394 -0.42754 -0.41546 -0.40770 -0.40394 -0.40170 -0.39781 -0.39299 -0.38873 -0.38323 -0.37970 -0.37440 -0.36305 -0.33102 -0.32931 -0.32848 -0.32756 -0.32747 -0.32641 -0.32354 -0.32148 -0.31883 -0.31846 -0.31774 -0.31619 -0.31437 -0.31379 -0.31301 -0.00233 0.02595 0.03262 0.03891 0.05831 0.05921 0.06232 0.07745 0.08312 0.09769 0.10151 0.10369 0.10705 0.11001 0.11095 0.12256 0.12378 0.13341 0.13710 0.13903 0.14369 0.14482 0.15120 0.15196 0.15580 0.16330 0.16862 0.17371 0.17573 0.18264 0.18688 0.18997 0.19515 0.19851 0.19996 0.20411 0.21202 0.21415 0.21612 0.22128 0.22458 0.23039 0.23112 0.23536 0.23744 0.23873 0.24225 0.24984 0.25120 0.25708 0.25867 0.26296 0.26678 0.26940 0.27367 0.27591 0.28047 0.28394 0.28524 0.28713 0.29060 0.29238 0.29461 0.29873 0.29978 0.30335 0.30613 0.31033 0.31171 0.31585 0.32789 0.34408 0.35017 0.35791 0.36429 0.36871 0.40542 0.41476 0.41959 0.43660 0.44539 0.45253 0.45992 0.47806 0.48404 0.49180 0.50269 0.51316 0.51759 0.52562 0.53045 0.53364 0.53605 0.54499 0.55563 0.55707 0.56385 0.56805 0.57795 0.58374 0.58779 0.59607 0.60474 0.61508 0.61754 0.62669 0.62800 0.63326 0.64038 0.64547 0.65074 0.66151 0.66776 0.68372 0.68801 0.69379 0.70736 0.71303 0.73603 0.74733 0.94926 0.95952 0.96898 0.97126 0.97676 0.98332 0.98527 0.99624 1.00476 1.00776 1.01330 1.01950 1.02094 1.03322 1.03739 1.04183 1.04808 1.05139 1.05590 1.05842 1.06272 1.06783 1.07101 1.07598 1.08228 1.08980 1.09002 1.09203 1.09725 1.10093 1.10296 1.10845 1.11283 1.11717 1.12308 1.12880 1.13532 1.14206 1.14982 1.15691 1.16319 1.19018 1.19824 1.20225 1.22800 1.24160 1.25674 1.26374 1.26912 1.27953 1.28537 1.29319 1.29626 1.31008 1.31158 1.31327 1.32266 1.33372 1.33746 1.34037 1.35270 1.36079 1.36775 1.36966 1.38389 1.38599 1.39586 1.41442 1.41795 1.42192 1.42831 1.43458 1.43842 1.44829 1.45531 1.45850 1.47515 1.47858 1.49253 1.50029 1.50141 1.51368 1.52060 1.53174 1.55312 1.55914 1.56524 1.56765 1.57925 1.58832 1.60030 1.60429 1.60931 1.61503 1.62961 1.64043 1.64812 1.65240 1.65426 1.66620 1.68902 1.69659 1.70074 1.70851 1.72064 1.72939 1.73327 1.74765 1.75193 1.76901 1.77543 1.78798 1.79067 1.79642 1.80602 1.81614 1.82685 1.84296 1.86307 1.89540 2.03138 2.03592 2.03909 2.04189 2.05096 2.05608 2.05829 2.16225 2.21240 2.23330 2.25533 2.26358 2.29607 2.29770 2.31348 2.32821 2.34367 2.34517 2.35650 2.36305 2.36542 2.39086 2.40149 2.40927 2.41913 2.42670 2.44270 2.45130 2.47550 2.48670 2.54386 2.57907 2.58185 2.58818 2.60503 2.61123 2.62609 2.68159 2.68251 2.70186 2.70629 2.71341 2.71711 2.73387 2.74567 2.74873 2.75010 2.75856 2.76433 2.78521 2.79343 2.80268 2.81857 2.83437 2.83906 2.85548 2.86709 2.87768 2.90589 2.93411 3.06973 3.07141 3.07938 3.08654 3.09102 3.09506 3.09853 3.10045 3.10426 3.11240 3.11695 3.12044 3.12613 3.12897 3.13392 3.13679 3.13808 3.14553 3.15184 3.15540 3.16016 3.16361 3.16505 3.16969 3.17223 3.18472 3.18928 3.19235 3.20041 3.21827 3.29820 3.29983 3.31382 3.31432 3.31653 3.31768 3.32479 3.33776 3.34019 3.35680 3.36255 3.36530 3.37147 3.37746 3.39602 3.69539 3.70544 3.71018 3.71524 3.72419 3.72614 3.73391 3.73909 3.74470 3.75323 3.75802 3.77203 3.77536 3.79525 3.82413 3.90435 3.91092 3.91474 3.92302 3.92491 3.93254 3.93523 3.94102 3.94752 3.94963 3.95556 3.96286 3.97282 3.98895 4.00697 5.00221 5.01195 5.02277 5.02446 5.02615 5.03232 5.03519 5.03921 5.04819 5.05613 5.06001 5.08250 5.12161 5.18364 5.21353 5.37057 5.37238 5.38889 5.41267 5.42106 5.42875 5.44782 5.45113 5.46544 5.47560 5.49657 5.50478 5.52289 5.57673 5.58259 5.66074 5.66199 5.66984 5.67254 5.67360 5.67799 5.68444 5.69768 5.70744 5.73620 5.74054 5.75897 5.78768 5.79818 5.81131 49.88016 49.88764 49.89867 49.90513 49.91320 49.91510 49.92100 49.92949 49.93475 49.94042 49.95060 49.96002 49.96910 49.97792 49.98867 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.753597 0.464891 0.335790 -0.754484 0.363550 -0.757363 0.318163 0.404176 0.410626 -0.865988 0.435598 -0.747472 0.407075 -0.719258 0.402250 0.307737 -0.772858 0.346139 0.427669 -0.777444 0.382490 0.398858 -0.832519 0.440621 0.421332 -0.800326 0.436170 0.332302 -0.729770 0.369602 0.373977 -0.787743 0.392315 0.405170 -0.843227 0.425568 0.413638 -0.788016 0.345096 0.432671 -0.771213 0.390675 0.395404 0.367551 0.354174 -0.00000 -5.1182 -0.5005 -1.5520 5.3717 -124.1012 -122.5147 -84.1962 -16.4561 5.4830 9.8246 -13.8305 -12.2440 26.0745 -16.4561 5.4830 9.8246 -111.9087 18.2154 -2.7272 -63.4164 59.1973 -64.6521 10.3055 -53.1032 20.4289 60.0755 -4129.2020 -2582.0833 -1155.7094 -105.1054 183.3888 -293.1560 105.9206 67.7107 97.2623 -1151.5845 -667.0559 -679.5192 45.2871 -83.2332 71.6794 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GRINYON LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF67 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2280732 RMSD=7.791e-09 Dipole=1.4937936,0.9019475,1.1922395 Quadrupole=2.9366995,15.4688392,-18.4055387,3.3150374,-1.2761669,-13.9967565 PG=C01 [X(H30O15)] 0 3.2960829783 1.0240190678 1.6797458273 0 -0.2444867583 2.1228961971 0.2766887012 0 -1.3346865493 2.2218615482 -3.2078333323 0 2.2685748514 -1.4825768854 2.4869557623 0 2.7153252721 -0.6299946336 2.3163000783 0 -0.1796285472 3.4385410026 1.465889157 0 0.4364880114 4.1269837582 1.1866836043 0 1.355324404 -1.2315824114 2.7377780751 0 0.3050273977 2.9211930192 2.1544367828 0 -0.2478662679 1.3353969998 -0.3137114442 0 -0.7832711768 0.6527623593 0.1516512628 0 -1.2065409042 1.3371967928 -2.8435745598 0 -0.8958254531 1.4666626815 -1.9138832701 0 -4.1932663704 0.6887410369 0.1611648501 0 -3.9813759175 0.4026587013 -0.7591134395 0 -4.0624589969 1.644984877 0.162707689 0 -0.2867236571 -0.568196084 3.1407424002 0 -0.7659936151 -0.9245138791 3.8985407547 0 -0.9083481722 -0.6054943186 2.3770819613 0 -3.4087193604 -0.3027150662 -2.289297645 0 -2.939465861 -1.0908220811 -1.9470714102 0 -2.6875747828 0.3063155515 -2.5514716071 0 2.2954678167 0.4433292371 -0.8409359887 0 1.3815249376 0.7388139827 -0.6175144186 0 2.3090321567 -0.5177388587 -0.649276805 0 2.3333344215 -2.285765793 -0.1129332184 0 2.2815936844 -2.0821127779 0.8538336589 0 3.1925052192 -2.7033173343 -0.2505958346 0 1.1287497024 1.8465242159 3.2579456709 0 1.9267232473 1.6090686612 2.7448958953 0 0.5940678773 1.0262843617 3.2691318123 0 0.530913222 -2.5326719203 -2.2349351531 0 0.7032864368 -1.7002985559 -2.7270016623 0 1.1389911278 -2.4914169836 -1.470491328 0 -1.828260255 -0.5687560891 0.9128321833 0 -2.6866181931 -0.1071732568 0.79132353 0 -1.8397008179 -1.2991715362 0.2552572183 0 -1.9285276044 -2.3965157095 -1.1410487003 0 -2.2687741149 -3.292625802 -1.0307473116 0 -1.0339161719 -2.4849747172 -1.560357035 0 1.1480683859 -0.0825599237 -3.4466735274 0 0.3204978734 0.4323019312 -3.3550869567 0 3.0497734687 0.9163033797 0.7328370718 0 1.6710182877 0.1771136545 -2.6643360747 0 4.213180321 1.3230931931 1.6949093053 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF67/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Wate 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 15-agua/ CONF67 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 525 A 510 A 510 780 525 75 75 1442.5029671053 45 45 45 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0480329334 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.963803 0.000000 6.838661 3.652427 0.000000 2.826727 4.919369 7.690057 0.000000 1.865005 4.527572 7.419685 0.977551 0.000000 4.237478 1.774634 4.965697 5.590499 5.065268 0.000000 4.248386 2.303950 5.106695 6.042716 5.394254 0.965147 0.000000 3.158119 4.457453 7.383274 0.979763 1.545689 5.077779 5.653705 0.000000 3.573656 2.113098 5.650811 4.833144 4.294959 0.988250 1.551696 4.323072 0.000000 4.078039 0.984245 3.216044 4.702892 4.422695 2.755875 3.242296 4.297812 2.985330 0.000000 4.371960 1.570738 3.748635 4.396258 4.309449 3.138816 3.824829 3.848688 3.215792 0.984485 0.000000 6.390002 3.358410 0.965266 6.960036 6.773122 4.903231 5.169665 6.656822 5.456556 2.705415 3.101449 0.000000 5.539152 2.377707 1.561163 6.170804 5.943974 3.977952 4.297195 5.829765 4.484299 1.731367 2.222956 0.988752 0.000000 7.649108 4.202738 4.676760 7.202730 7.356107 5.037161 5.857288 6.411976 5.402927 4.026146 3.410198 4.285963 3.972921 0.000000 7.700359 4.242222 4.038650 7.290608 7.441125 5.349813 6.097069 6.586301 5.762382 3.873949 3.334654 3.594169 3.462112 0.986738 0.000000 7.538909 3.849455 4.374251 7.434095 7.466716 4.471185 5.239215 6.652669 4.966954 3.856674 3.426033 4.157972 3.790989 0.965150 1.549097 0.000000 4.184037 3.930212 7.013349 2.791609 3.113811 4.344024 5.136740 1.816255 3.674072 3.944417 3.266797 6.347333 5.482782 5.071375 5.459111 5.293679 0.000000 5.021981 4.761984 7.792538 3.393024 3.835337 5.029698 5.858136 2.437550 4.356426 4.808193 4.065376 7.124994 6.286402 5.321350 5.813245 5.605841 0.964842 0.000000 4.562766 3.506634 6.274311 3.297603 3.624266 4.208982 5.061816 2.376195 3.736225 3.382849 2.559569 5.578371 4.765121 4.168456 4.505063 4.462793 0.985386 1.561049 0.000000 7.903664 4.741334 3.393937 7.512412 7.669587 6.206887 6.818379 6.987875 6.628143 4.071528 3.710006 2.801093 3.096170 2.757402 1.779593 3.198944 6.269184 6.757217 5.302700 0.000000 7.517209 4.747210 3.890850 6.851114 7.096856 6.307149 6.960099 6.357110 6.591310 3.974810 3.477628 3.114807 3.273881 3.030432 2.174237 3.632757 5.761599 6.238816 4.802008 0.978995 0.000000 7.363590 4.155374 2.435248 7.290357 7.332340 5.678012 6.191210 6.832739 6.159450 3.466808 3.324646 1.827977 2.227844 3.125980 2.212634 3.324020 6.239404 6.841789 5.318617 0.979644 1.542965 0.000000 2.773494 3.243671 4.684378 3.845088 3.361018 4.518721 4.597429 4.061575 4.367370 2.746325 3.241562 4.132024 3.518917 6.570244 6.277509 6.547863 4.852284 5.805702 4.660484 5.932292 5.566120 5.270239 0.000000 3.004044 2.314994 4.035714 3.919078 3.501418 3.750506 3.953216 3.891161 3.688542 1.761568 2.298992 3.465760 2.719680 5.629134 5.375291 5.573765 4.314606 5.270033 4.002286 5.179390 4.877115 4.526016 0.986164 0.000000 2.962370 3.788248 5.227648 3.281540 2.995383 5.130254 5.333912 3.590442 4.868583 3.175602 3.402043 4.540373 3.975952 6.662754 6.358335 6.777359 4.593990 5.504897 4.417928 5.952192 5.436858 5.409574 0.980086 1.562115 0.000000 3.885262 5.121842 6.584185 2.721898 2.964569 6.447895 6.812517 3.192861 6.030540 4.451486 4.291641 5.754388 5.267980 7.177697 6.893529 7.512187 4.516764 5.248882 4.419502 6.452924 5.709148 6.154257 2.824780 3.210705 1.847748 0.000000 3.370367 4.939259 6.935331 1.739742 2.106081 6.075347 6.485991 2.265088 5.534569 4.409161 4.167253 6.126140 5.509089 7.076810 6.928238 7.390258 3.757413 4.460725 3.830981 6.739821 6.007261 6.480226 3.041430 3.306451 2.169645 0.989338 0.000000 4.198807 5.948385 7.314240 3.136566 3.333965 7.213878 7.504293 3.804158 6.764379 5.305785 5.218417 6.511597 6.072043 8.137888 7.833917 8.468356 5.307066 6.004098 5.303070 7.314052 6.563478 6.994802 3.324840 3.906731 2.390863 0.965129 1.560583 0.000000 2.804383 3.293942 6.929336 3.602297 3.088214 2.730904 3.157507 3.129960 1.746758 3.861743 3.837963 6.552980 5.566957 6.265331 6.658445 6.047294 2.801460 3.417465 3.307277 7.481963 7.229840 7.119403 4.486760 4.038577 4.716905 5.467145 4.747946 6.104917 0.000000 1.830840 3.327194 6.815225 3.121164 2.412259 3.069128 3.314924 2.897559 2.167997 3.762820 3.870854 6.412664 5.448971 6.706485 6.974177 6.522215 3.129940 3.873069 3.616242 7.580565 7.278995 7.144258 3.788550 3.515734 4.023665 4.847912 4.162556 5.401097 0.977940 0.000000 3.134811 3.295519 6.862986 3.116113 2.854975 3.109545 3.738417 2.441272 2.217379 3.693395 3.428595 6.379972 5.410856 5.717689 6.127834 5.631687 1.826101 2.459987 2.390755 6.977441 6.646561 6.720637 4.486341 3.976021 4.547421 5.043123 4.282936 5.748938 0.979185 1.546102 0.000000 5.968328 5.346383 5.199287 5.139885 5.394959 7.060903 7.487817 5.205801 7.004445 4.388571 4.191643 4.285449 4.258325 6.199731 5.581664 6.655868 5.781488 6.472068 5.201556 4.527291 3.768996 4.303337 3.730076 3.747294 3.120252 2.795099 3.578879 3.324274 7.050284 6.625784 6.554763 0.000000 5.793438 4.953509 4.446108 5.448200 5.534324 6.690855 7.024623 5.523465 6.733887 3.993007 4.004172 3.589904 3.639775 6.166461 5.499189 6.500282 6.057408 6.830698 5.463299 4.365022 3.774837 3.944015 3.269163 3.295332 2.879897 3.135791 3.931821 3.651690 6.969976 6.510789 6.587852 0.982185 0.000000 5.189926 5.124308 5.599324 4.237346 4.504388 6.747258 7.166402 4.398126 6.567492 4.231550 4.026450 4.695228 4.472524 6.419398 5.924516 6.843409 5.195663 5.908524 4.748908 5.112977 4.338503 4.861937 3.216600 3.349744 2.436964 1.819811 2.622128 2.397909 6.416849 5.933295 5.927495 0.977668 1.547425 0.000000 5.420699 3.187163 5.001104 4.482967 4.755801 4.368328 5.220541 3.728938 4.274604 2.761857 1.778625 4.257908 3.605924 2.782006 2.893952 3.233416 2.709229 3.188954 1.729629 3.580819 3.112295 3.674993 4.594034 3.788723 4.422666 4.617271 4.380026 5.578351 4.480741 4.711611 3.736840 4.396715 4.575752 4.263970 0.000000 6.153178 3.346949 4.821346 5.414872 5.637365 4.394556 5.276191 4.624963 4.469790 3.041319 2.146954 4.182023 3.605834 1.816747 2.083310 2.314769 3.389956 3.743213 2.434173 3.170157 2.920668 3.368272 5.271480 4.387517 5.215402 5.546519 5.346721 6.510734 4.945522 5.295739 4.264641 5.039226 5.138883 5.043383 0.982141 0.000000 5.814005 3.775674 4.964445 4.678894 5.044200 5.164048 5.957495 4.046686 5.100806 3.130274 2.221896 4.117534 3.639493 3.082194 2.917524 3.690159 3.357393 3.816639 2.418832 3.151112 2.470454 3.342784 4.619261 3.910423 4.317500 4.303854 4.237494 5.248868 5.265286 5.370485 4.518231 3.652724 3.939740 3.643112 0.982875 1.557400 0.000000 6.852262 5.027033 5.094473 5.622577 6.053035 6.625908 7.318995 5.214024 6.642817 4.175677 3.504395 4.166590 4.072824 4.042723 3.492197 4.752596 4.936801 5.377335 4.077471 2.809527 1.837527 3.141774 5.098718 4.589208 4.661390 4.385516 4.669425 5.206920 6.833848 6.782937 6.126071 2.695176 3.150621 3.086618 2.751215 3.090284 1.778124 0.000000 7.546379 5.927479 6.001816 6.019805 6.567616 7.477054 8.202807 5.619944 7.441868 5.100667 4.378456 5.084284 5.031475 4.579913 4.081901 5.387174 5.362123 5.671348 4.548047 3.438458 2.477381 3.929424 5.901330 5.454168 5.366733 4.799537 5.071768 5.548107 7.506458 7.475579 6.733336 3.140995 3.774378 3.528197 3.375059 3.693460 2.410762 0.964856 0.000000 6.446720 5.022988 4.995893 5.319021 5.703177 6.706416 7.309331 5.074784 6.694708 4.094782 3.583181 4.035522 3.969822 4.797666 4.203325 5.403479 5.131537 5.683871 4.364818 3.306554 2.392557 3.392373 4.491918 4.137163 3.984393 3.670572 4.121070 4.430100 6.830450 6.637905 6.188961 1.704706 2.234871 2.174774 3.227931 3.730384 2.313412 0.991955 1.567693 0.000000 5.667333 4.546061 3.395803 6.198672 5.997320 6.188231 6.300365 6.293699 6.411372 3.711427 4.149544 2.814893 2.987815 6.491630 5.811163 6.569752 6.759328 7.637060 6.198261 4.706623 4.469154 3.957874 2.895333 2.955215 3.059844 4.168069 4.876213 4.611182 6.976651 6.465558 6.829238 2.802185 1.825606 3.115762 5.300963 5.715422 4.910316 4.487286 5.274091 3.753777 0.000000 5.878246 4.045629 2.442098 6.449126 6.247264 5.703456 5.855921 6.400186 6.045632 3.223133 3.682950 1.847249 2.150910 5.727465 5.024547 5.749416 6.600418 7.458990 5.953557 3.947558 3.863907 3.116115 3.197121 2.951954 3.489736 4.685186 5.280454 5.264827 6.810690 6.416738 6.656420 3.176489 2.255882 3.573481 4.882050 5.150388 4.549620 4.238194 5.097251 3.683205 0.978950 0.000000 0.984331 3.537808 6.037951 3.072756 2.238358 4.162702 4.164578 3.391808 3.684313 3.485015 3.885803 5.575310 4.782863 7.269128 7.206026 7.172160 4.374238 5.288702 4.548201 7.234047 6.861592 6.638971 1.808160 2.153603 2.124950 3.388489 3.097618 3.753554 3.306330 2.406148 3.532050 5.200746 4.931845 4.485343 5.102256 5.827273 5.389190 6.266554 7.008014 5.788260 4.699204 4.939061 0.000000 4.714778 4.013086 3.675683 5.444948 5.152547 5.578581 5.652954 5.591684 5.711083 3.247949 3.765576 3.107775 2.968973 6.529552 5.969113 6.558932 6.171481 7.086887 5.716774 5.116114 4.835152 4.361968 1.945661 2.142147 2.224937 3.607505 4.225450 4.054374 6.176925 5.601399 6.089906 2.971054 2.113080 2.971426 5.059388 5.568788 4.798811 4.679819 5.498151 3.952487 0.976196 1.538234 3.740074 0.000000 0.964750 4.745717 7.458116 3.504371 2.538552 4.881018 4.731120 3.972566 4.247205 4.892407 5.272145 7.069046 6.256671 8.568729 8.603498 8.422438 5.090829 5.890662 5.514967 8.752743 8.381608 8.166150 3.298805 3.702291 3.536899 4.452637 4.004231 4.586802 3.497252 2.532220 3.957808 6.623420 6.404182 5.832743 6.378851 7.104178 6.751758 7.720021 8.411290 7.254665 6.148711 6.438086 1.563514 5.174831 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6528,.6195,-1.0269;-.3315,-1.4865,-1.5224;2.8274,-.3688,-2.9757;-3.1128,.9408,1.7291;-3.4371,.8375,.8127;-1.3881,-2.8179,-2.0327;-1.7341,-2.664,-2.9205;-2.6732,.0881,1.9281;-2.131,-2.5897,-1.4222;.1921,-.7321,-1.1684;.3518,-.9377,-.2189;2.6146,.0128,-2.115;1.7349,-.3601,-1.8605;2.7628,-3.1214,.8046;3.2875,-2.335,.5218;2.5294,-3.5748,-.0148;-1.8807,-1.5382,2.0892;-2.0098,-2.0473,2.8986;-.9079,-1.5024,1.9365;4.0369,-.7594,.1712;3.5828,-.2042,.8375;3.6162,-.5037,-.6757;-1.1219,1.6591,-1.481;-.6694,.7957,-1.3316;-1.1233,2.1032,-.6073;-1.2519,2.8216,1.0902;-1.9104,2.1579,1.4138;-1.7067,3.6728,1.0992;-3.3192,-2.0567,-.2581;-3.4984,-1.1443,-.5611;-2.8274,-1.9419,.5808;1.5255,2.9536,.8057;1.6204,2.8599,-.1674;.5612,2.9067,.9598;.7484,-1.3223,1.4717;1.3746,-2.0591,1.2995;1.3157,-.569,1.7487;2.5001,.7357,1.9868;2.7966,.963,2.8764;2.166,1.5757,1.5784;1.5639,2.6205,-1.9764;2.0137,1.7595,-2.097;-2.8102,1.0303,-1.3274;.6159,2.3879,-1.9655;-4.3584,1.0245,-1.5453; 0.3157614 0.2372229 0.2011520 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 510 RedAO= T EigKep= 9.16D-05 NBF= 510 NBsUse= 510 1.00D-06 EigRej= -1.00D+00 NBFU= 510 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 525 523 524 525 525 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.22807318615 -1147.22807319 1 1.143316445683e+03 -5.596020519928e+03 1.863005969173e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15098928284 LenY= 15098652134 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT17196.900S Thu Jul 18 23:43:01 2024 -19.13018 -19.12907 -19.12807 -19.12747 -19.12683 -19.12180 -19.12159 -19.12052 -19.11851 -19.11708 -19.11522 -19.11511 -19.11401 -19.11394 -19.11233 -1.02982 -1.02409 -1.02173 -1.02012 -1.01612 -1.01396 -1.01277 -1.00953 -1.00639 -1.00049 -0.99840 -0.99540 -0.99368 -0.99201 -0.98808 -0.54281 -0.54205 -0.54190 -0.53823 -0.53712 -0.53148 -0.53126 -0.52992 -0.52894 -0.52772 -0.52576 -0.52281 -0.52132 -0.52102 -0.51939 -0.45067 -0.43754 -0.43394 -0.42754 -0.41546 -0.40770 -0.40394 -0.40170 -0.39781 -0.39299 -0.38873 -0.38323 -0.37970 -0.37440 -0.36305 -0.33102 -0.32931 -0.32848 -0.32756 -0.32747 -0.32641 -0.32354 -0.32148 -0.31883 -0.31846 -0.31774 -0.31619 -0.31437 -0.31379 -0.31301 -0.00233 0.02595 0.03262 0.03891 0.05831 0.05921 0.06232 0.07745 0.08312 0.09769 0.10151 0.10369 0.10705 0.11001 0.11095 0.12256 0.12378 0.13341 0.13710 0.13903 0.14369 0.14482 0.15120 0.15196 0.15580 0.16330 0.16862 0.17371 0.17573 0.18264 0.18688 0.18997 0.19515 0.19851 0.19996 0.20411 0.21202 0.21415 0.21612 0.22128 0.22458 0.23039 0.23112 0.23536 0.23744 0.23873 0.24225 0.24984 0.25120 0.25708 0.25867 0.26296 0.26678 0.26940 0.27367 0.27591 0.28047 0.28394 0.28524 0.28713 0.29060 0.29238 0.29461 0.29873 0.29978 0.30335 0.30613 0.31033 0.31171 0.31585 0.32789 0.34408 0.35017 0.35791 0.36429 0.36871 0.40542 0.41476 0.41959 0.43660 0.44539 0.45253 0.45992 0.47806 0.48404 0.49180 0.50269 0.51316 0.51759 0.52562 0.53045 0.53364 0.53605 0.54499 0.55563 0.55707 0.56385 0.56805 0.57795 0.58374 0.58779 0.59607 0.60474 0.61508 0.61754 0.62669 0.62800 0.63326 0.64038 0.64547 0.65074 0.66151 0.66776 0.68372 0.68801 0.69379 0.70736 0.71303 0.73603 0.74733 0.94926 0.95952 0.96898 0.97126 0.97676 0.98332 0.98527 0.99624 1.00476 1.00776 1.01330 1.01950 1.02094 1.03322 1.03739 1.04183 1.04808 1.05139 1.05590 1.05842 1.06272 1.06783 1.07101 1.07598 1.08228 1.08980 1.09002 1.09203 1.09725 1.10093 1.10296 1.10845 1.11283 1.11717 1.12308 1.12880 1.13532 1.14206 1.14982 1.15691 1.16319 1.19018 1.19824 1.20225 1.22800 1.24160 1.25674 1.26374 1.26912 1.27953 1.28537 1.29319 1.29626 1.31008 1.31158 1.31327 1.32266 1.33372 1.33746 1.34037 1.35270 1.36079 1.36775 1.36966 1.38389 1.38599 1.39586 1.41442 1.41795 1.42192 1.42831 1.43458 1.43842 1.44829 1.45531 1.45850 1.47515 1.47858 1.49253 1.50029 1.50141 1.51368 1.52060 1.53174 1.55312 1.55914 1.56524 1.56765 1.57925 1.58832 1.60030 1.60429 1.60931 1.61503 1.62961 1.64043 1.64812 1.65240 1.65426 1.66620 1.68902 1.69659 1.70074 1.70851 1.72064 1.72939 1.73327 1.74765 1.75193 1.76901 1.77543 1.78798 1.79067 1.79642 1.80602 1.81614 1.82685 1.84296 1.86307 1.89540 2.03138 2.03592 2.03909 2.04189 2.05096 2.05608 2.05829 2.16225 2.21240 2.23330 2.25533 2.26358 2.29607 2.29770 2.31348 2.32821 2.34367 2.34517 2.35650 2.36305 2.36542 2.39086 2.40149 2.40927 2.41913 2.42670 2.44270 2.45130 2.47550 2.48670 2.54386 2.57907 2.58185 2.58818 2.60503 2.61123 2.62609 2.68159 2.68251 2.70186 2.70629 2.71341 2.71711 2.73387 2.74567 2.74873 2.75010 2.75856 2.76433 2.78521 2.79343 2.80268 2.81857 2.83437 2.83906 2.85548 2.86709 2.87768 2.90589 2.93411 3.06973 3.07141 3.07938 3.08654 3.09102 3.09506 3.09853 3.10045 3.10426 3.11240 3.11695 3.12044 3.12613 3.12897 3.13392 3.13679 3.13808 3.14553 3.15184 3.15540 3.16016 3.16361 3.16505 3.16969 3.17223 3.18472 3.18928 3.19235 3.20041 3.21827 3.29820 3.29983 3.31382 3.31432 3.31653 3.31768 3.32479 3.33776 3.34019 3.35680 3.36255 3.36530 3.37147 3.37746 3.39602 3.69539 3.70544 3.71018 3.71524 3.72419 3.72614 3.73391 3.73909 3.74470 3.75323 3.75802 3.77203 3.77536 3.79525 3.82413 3.90435 3.91092 3.91474 3.92302 3.92491 3.93254 3.93523 3.94102 3.94752 3.94963 3.95556 3.96286 3.97282 3.98895 4.00697 5.00221 5.01195 5.02277 5.02446 5.02615 5.03232 5.03519 5.03921 5.04819 5.05613 5.06001 5.08250 5.12161 5.18364 5.21353 5.37057 5.37238 5.38889 5.41267 5.42106 5.42875 5.44782 5.45113 5.46544 5.47560 5.49657 5.50478 5.52289 5.57673 5.58259 5.66074 5.66199 5.66984 5.67254 5.67360 5.67799 5.68444 5.69768 5.70744 5.73620 5.74054 5.75897 5.78768 5.79818 5.81131 49.88016 49.88764 49.89867 49.90513 49.91320 49.91510 49.92100 49.92949 49.93475 49.94042 49.95060 49.96002 49.96910 49.97792 49.98867 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.753597 0.464891 0.335790 -0.754484 0.363550 -0.757363 0.318163 0.404176 0.410626 -0.865988 0.435598 -0.747472 0.407075 -0.719258 0.402250 0.307737 -0.772858 0.346139 0.427669 -0.777444 0.382490 0.398858 -0.832519 0.440621 0.421332 -0.800326 0.436170 0.332302 -0.729770 0.369602 0.373977 -0.787743 0.392315 0.405170 -0.843227 0.425568 0.413638 -0.788016 0.345096 0.432671 -0.771213 0.390675 0.395404 0.367551 0.354174 -0.00000 -5.1182 -0.5005 -1.5520 5.3717 -124.1012 -122.5147 -84.1962 -16.4561 5.4830 9.8246 -13.8305 -12.2440 26.0745 -16.4561 5.4830 9.8246 -111.9087 18.2154 -2.7272 -63.4164 59.1973 -64.6521 10.3055 -53.1032 20.4289 60.0755 -4129.2020 -2582.0833 -1155.7094 -105.1054 183.3888 -293.1560 105.9206 67.7107 97.2623 -1151.5845 -667.0559 -679.5192 45.2871 -83.2332 71.6794 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GRINYON LAMSABHI 18-Jul-2024 0 Wavefunction 15-agua/ CONF67 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2280732 RMSD=7.791e-09 Dipole=1.4937936,0.9019475,1.1922395 Quadrupole=2.9366995,15.4688392,-18.4055387,3.3150374,-1.2761669,-13.9967565 PG=C01 [X(H30O15)] 0 3.2960829783 1.0240190678 1.6797458273 0 -0.2444867583 2.1228961971 0.2766887012 0 -1.3346865493 2.2218615482 -3.2078333323 0 2.2685748514 -1.4825768854 2.4869557623 0 2.7153252721 -0.6299946336 2.3163000783 0 -0.1796285472 3.4385410026 1.465889157 0 0.4364880114 4.1269837582 1.1866836043 0 1.355324404 -1.2315824114 2.7377780751 0 0.3050273977 2.9211930192 2.1544367828 0 -0.2478662679 1.3353969998 -0.3137114442 0 -0.7832711768 0.6527623593 0.1516512628 0 -1.2065409042 1.3371967928 -2.8435745598 0 -0.8958254531 1.4666626815 -1.9138832701 0 -4.1932663704 0.6887410369 0.1611648501 0 -3.9813759175 0.4026587013 -0.7591134395 0 -4.0624589969 1.644984877 0.162707689 0 -0.2867236571 -0.568196084 3.1407424002 0 -0.7659936151 -0.9245138791 3.8985407547 0 -0.9083481722 -0.6054943186 2.3770819613 0 -3.4087193604 -0.3027150662 -2.289297645 0 -2.939465861 -1.0908220811 -1.9470714102 0 -2.6875747828 0.3063155515 -2.5514716071 0 2.2954678167 0.4433292371 -0.8409359887 0 1.3815249376 0.7388139827 -0.6175144186 0 2.3090321567 -0.5177388587 -0.649276805 0 2.3333344215 -2.285765793 -0.1129332184 0 2.2815936844 -2.0821127779 0.8538336589 0 3.1925052192 -2.7033173343 -0.2505958346 0 1.1287497024 1.8465242159 3.2579456709 0 1.9267232473 1.6090686612 2.7448958953 0 0.5940678773 1.0262843617 3.2691318123 0 0.530913222 -2.5326719203 -2.2349351531 0 0.7032864368 -1.7002985559 -2.7270016623 0 1.1389911278 -2.4914169836 -1.470491328 0 -1.828260255 -0.5687560891 0.9128321833 0 -2.6866181931 -0.1071732568 0.79132353 0 -1.8397008179 -1.2991715362 0.2552572183 0 -1.9285276044 -2.3965157095 -1.1410487003 0 -2.2687741149 -3.292625802 -1.0307473116 0 -1.0339161719 -2.4849747172 -1.560357035 0 1.1480683859 -0.0825599237 -3.4466735274 0 0.3204978734 0.4323019312 -3.3550869567 0 3.0497734687 0.9163033797 0.7328370718 0 1.6710182877 0.1771136545 -2.6643360747 0 4.213180321 1.3230931931 1.6949093053 Gaussian 16 18-Jul-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(H30O15)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.2961,1.024,1.6797;-.2445,2.1229,.2767;-1.3347,2.2219,-3.2078;2.2686,-1.4826,2.487;2.7153,-.63,2.3163;-.1796,3.4385,1.4659;.4365,4.127,1.1867;1.3553,-1.2316,2.7378;.305,2.9212,2.1544;-.2479,1.3354,-.3137;-.7833,.6528,.1517;-1.2065,1.3372,-2.8436;-.8958,1.4667,-1.9139;-4.1933,.6887,.1612;-3.9814,.4027,-.7591;-4.0625,1.645,.1627;-.2867,-.5682,3.1407;-.766,-.9245,3.8985;-.9083,-.6055,2.3771;-3.4087,-.3027,-2.2893;-2.9395,-1.0908,-1.9471;-2.6876,.3063,-2.5515;2.2955,.4433,-.8409;1.3815,.7388,-.6175;2.309,-.5177,-.6493;2.3333,-2.2858,-.1129;2.2816,-2.0821,.8538;3.1925,-2.7033,-.2506;1.1287,1.8465,3.2579;1.9267,1.6091,2.7449;.5941,1.0263,3.2691;.5309,-2.5327,-2.2349;.7033,-1.7003,-2.727;1.139,-2.4914,-1.4705;-1.8283,-.5688,.9128;-2.6866,-.1072,.7913;-1.8397,-1.2992,.2553;-1.9285,-2.3965,-1.141;-2.2688,-3.2926,-1.0307;-1.0339,-2.485,-1.5604;1.1481,-.0826,-3.4467;.3205,.4323,-3.3551;3.0498,.9163,.7328;1.671,.1771,-2.6643;4.2132,1.3231,1.6949; oldchk=/home/lamsabhi/diver/BF3-H2O/15-agua/water/CONF67/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=W 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 15-agua/ CONF67 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 945 A 855 A 855 1200 945 75 75 1442.5029671053 45 45 45 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0480329334 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.963803 0.000000 6.838661 3.652427 0.000000 2.826727 4.919369 7.690057 0.000000 1.865005 4.527572 7.419685 0.977551 0.000000 4.237478 1.774634 4.965697 5.590499 5.065268 0.000000 4.248386 2.303950 5.106695 6.042716 5.394254 0.965147 0.000000 3.158119 4.457453 7.383274 0.979763 1.545689 5.077779 5.653705 0.000000 3.573656 2.113098 5.650811 4.833144 4.294959 0.988250 1.551696 4.323072 0.000000 4.078039 0.984245 3.216044 4.702892 4.422695 2.755875 3.242296 4.297812 2.985330 0.000000 4.371960 1.570738 3.748635 4.396258 4.309449 3.138816 3.824829 3.848688 3.215792 0.984485 0.000000 6.390002 3.358410 0.965266 6.960036 6.773122 4.903231 5.169665 6.656822 5.456556 2.705415 3.101449 0.000000 5.539152 2.377707 1.561163 6.170804 5.943974 3.977952 4.297195 5.829765 4.484299 1.731367 2.222956 0.988752 0.000000 7.649108 4.202738 4.676760 7.202730 7.356107 5.037161 5.857288 6.411976 5.402927 4.026146 3.410198 4.285963 3.972921 0.000000 7.700359 4.242222 4.038650 7.290608 7.441125 5.349813 6.097069 6.586301 5.762382 3.873949 3.334654 3.594169 3.462112 0.986738 0.000000 7.538909 3.849455 4.374251 7.434095 7.466716 4.471185 5.239215 6.652669 4.966954 3.856674 3.426033 4.157972 3.790989 0.965150 1.549097 0.000000 4.184037 3.930212 7.013349 2.791609 3.113811 4.344024 5.136740 1.816255 3.674072 3.944417 3.266797 6.347333 5.482782 5.071375 5.459111 5.293679 0.000000 5.021981 4.761984 7.792538 3.393024 3.835337 5.029698 5.858136 2.437550 4.356426 4.808193 4.065376 7.124994 6.286402 5.321350 5.813245 5.605841 0.964842 0.000000 4.562766 3.506634 6.274311 3.297603 3.624266 4.208982 5.061816 2.376195 3.736225 3.382849 2.559569 5.578371 4.765121 4.168456 4.505063 4.462793 0.985386 1.561049 0.000000 7.903664 4.741334 3.393937 7.512412 7.669587 6.206887 6.818379 6.987875 6.628143 4.071528 3.710006 2.801093 3.096170 2.757402 1.779593 3.198944 6.269184 6.757217 5.302700 0.000000 7.517209 4.747210 3.890850 6.851114 7.096856 6.307149 6.960099 6.357110 6.591310 3.974810 3.477628 3.114807 3.273881 3.030432 2.174237 3.632757 5.761599 6.238816 4.802008 0.978995 0.000000 7.363590 4.155374 2.435248 7.290357 7.332340 5.678012 6.191210 6.832739 6.159450 3.466808 3.324646 1.827977 2.227844 3.125980 2.212634 3.324020 6.239404 6.841789 5.318617 0.979644 1.542965 0.000000 2.773494 3.243671 4.684378 3.845088 3.361018 4.518721 4.597429 4.061575 4.367370 2.746325 3.241562 4.132024 3.518917 6.570244 6.277509 6.547863 4.852284 5.805702 4.660484 5.932292 5.566120 5.270239 0.000000 3.004044 2.314994 4.035714 3.919078 3.501418 3.750506 3.953216 3.891161 3.688542 1.761568 2.298992 3.465760 2.719680 5.629134 5.375291 5.573765 4.314606 5.270033 4.002286 5.179390 4.877115 4.526016 0.986164 0.000000 2.962370 3.788248 5.227648 3.281540 2.995383 5.130254 5.333912 3.590442 4.868583 3.175602 3.402043 4.540373 3.975952 6.662754 6.358335 6.777359 4.593990 5.504897 4.417928 5.952192 5.436858 5.409574 0.980086 1.562115 0.000000 3.885262 5.121842 6.584185 2.721898 2.964569 6.447895 6.812517 3.192861 6.030540 4.451486 4.291641 5.754388 5.267980 7.177697 6.893529 7.512187 4.516764 5.248882 4.419502 6.452924 5.709148 6.154257 2.824780 3.210705 1.847748 0.000000 3.370367 4.939259 6.935331 1.739742 2.106081 6.075347 6.485991 2.265088 5.534569 4.409161 4.167253 6.126140 5.509089 7.076810 6.928238 7.390258 3.757413 4.460725 3.830981 6.739821 6.007261 6.480226 3.041430 3.306451 2.169645 0.989338 0.000000 4.198807 5.948385 7.314240 3.136566 3.333965 7.213878 7.504293 3.804158 6.764379 5.305785 5.218417 6.511597 6.072043 8.137888 7.833917 8.468356 5.307066 6.004098 5.303070 7.314052 6.563478 6.994802 3.324840 3.906731 2.390863 0.965129 1.560583 0.000000 2.804383 3.293942 6.929336 3.602297 3.088214 2.730904 3.157507 3.129960 1.746758 3.861743 3.837963 6.552980 5.566957 6.265331 6.658445 6.047294 2.801460 3.417465 3.307277 7.481963 7.229840 7.119403 4.486760 4.038577 4.716905 5.467145 4.747946 6.104917 0.000000 1.830840 3.327194 6.815225 3.121164 2.412259 3.069128 3.314924 2.897559 2.167997 3.762820 3.870854 6.412664 5.448971 6.706485 6.974177 6.522215 3.129940 3.873069 3.616242 7.580565 7.278995 7.144258 3.788550 3.515734 4.023665 4.847912 4.162556 5.401097 0.977940 0.000000 3.134811 3.295519 6.862986 3.116113 2.854975 3.109545 3.738417 2.441272 2.217379 3.693395 3.428595 6.379972 5.410856 5.717689 6.127834 5.631687 1.826101 2.459987 2.390755 6.977441 6.646561 6.720637 4.486341 3.976021 4.547421 5.043123 4.282936 5.748938 0.979185 1.546102 0.000000 5.968328 5.346383 5.199287 5.139885 5.394959 7.060903 7.487817 5.205801 7.004445 4.388571 4.191643 4.285449 4.258325 6.199731 5.581664 6.655868 5.781488 6.472068 5.201556 4.527291 3.768996 4.303337 3.730076 3.747294 3.120252 2.795099 3.578879 3.324274 7.050284 6.625784 6.554763 0.000000 5.793438 4.953509 4.446108 5.448200 5.534324 6.690855 7.024623 5.523465 6.733887 3.993007 4.004172 3.589904 3.639775 6.166461 5.499189 6.500282 6.057408 6.830698 5.463299 4.365022 3.774837 3.944015 3.269163 3.295332 2.879897 3.135791 3.931821 3.651690 6.969976 6.510789 6.587852 0.982185 0.000000 5.189926 5.124308 5.599324 4.237346 4.504388 6.747258 7.166402 4.398126 6.567492 4.231550 4.026450 4.695228 4.472524 6.419398 5.924516 6.843409 5.195663 5.908524 4.748908 5.112977 4.338503 4.861937 3.216600 3.349744 2.436964 1.819811 2.622128 2.397909 6.416849 5.933295 5.927495 0.977668 1.547425 0.000000 5.420699 3.187163 5.001104 4.482967 4.755801 4.368328 5.220541 3.728938 4.274604 2.761857 1.778625 4.257908 3.605924 2.782006 2.893952 3.233416 2.709229 3.188954 1.729629 3.580819 3.112295 3.674993 4.594034 3.788723 4.422666 4.617271 4.380026 5.578351 4.480741 4.711611 3.736840 4.396715 4.575752 4.263970 0.000000 6.153178 3.346949 4.821346 5.414872 5.637365 4.394556 5.276191 4.624963 4.469790 3.041319 2.146954 4.182023 3.605834 1.816747 2.083310 2.314769 3.389956 3.743213 2.434173 3.170157 2.920668 3.368272 5.271480 4.387517 5.215402 5.546519 5.346721 6.510734 4.945522 5.295739 4.264641 5.039226 5.138883 5.043383 0.982141 0.000000 5.814005 3.775674 4.964445 4.678894 5.044200 5.164048 5.957495 4.046686 5.100806 3.130274 2.221896 4.117534 3.639493 3.082194 2.917524 3.690159 3.357393 3.816639 2.418832 3.151112 2.470454 3.342784 4.619261 3.910423 4.317500 4.303854 4.237494 5.248868 5.265286 5.370485 4.518231 3.652724 3.939740 3.643112 0.982875 1.557400 0.000000 6.852262 5.027033 5.094473 5.622577 6.053035 6.625908 7.318995 5.214024 6.642817 4.175677 3.504395 4.166590 4.072824 4.042723 3.492197 4.752596 4.936801 5.377335 4.077471 2.809527 1.837527 3.141774 5.098718 4.589208 4.661390 4.385516 4.669425 5.206920 6.833848 6.782937 6.126071 2.695176 3.150621 3.086618 2.751215 3.090284 1.778124 0.000000 7.546379 5.927479 6.001816 6.019805 6.567616 7.477054 8.202807 5.619944 7.441868 5.100667 4.378456 5.084284 5.031475 4.579913 4.081901 5.387174 5.362123 5.671348 4.548047 3.438458 2.477381 3.929424 5.901330 5.454168 5.366733 4.799537 5.071768 5.548107 7.506458 7.475579 6.733336 3.140995 3.774378 3.528197 3.375059 3.693460 2.410762 0.964856 0.000000 6.446720 5.022988 4.995893 5.319021 5.703177 6.706416 7.309331 5.074784 6.694708 4.094782 3.583181 4.035522 3.969822 4.797666 4.203325 5.403479 5.131537 5.683871 4.364818 3.306554 2.392557 3.392373 4.491918 4.137163 3.984393 3.670572 4.121070 4.430100 6.830450 6.637905 6.188961 1.704706 2.234871 2.174774 3.227931 3.730384 2.313412 0.991955 1.567693 0.000000 5.667333 4.546061 3.395803 6.198672 5.997320 6.188231 6.300365 6.293699 6.411372 3.711427 4.149544 2.814893 2.987815 6.491630 5.811163 6.569752 6.759328 7.637060 6.198261 4.706623 4.469154 3.957874 2.895333 2.955215 3.059844 4.168069 4.876213 4.611182 6.976651 6.465558 6.829238 2.802185 1.825606 3.115762 5.300963 5.715422 4.910316 4.487286 5.274091 3.753777 0.000000 5.878246 4.045629 2.442098 6.449126 6.247264 5.703456 5.855921 6.400186 6.045632 3.223133 3.682950 1.847249 2.150910 5.727465 5.024547 5.749416 6.600418 7.458990 5.953557 3.947558 3.863907 3.116115 3.197121 2.951954 3.489736 4.685186 5.280454 5.264827 6.810690 6.416738 6.656420 3.176489 2.255882 3.573481 4.882050 5.150388 4.549620 4.238194 5.097251 3.683205 0.978950 0.000000 0.984331 3.537808 6.037951 3.072756 2.238358 4.162702 4.164578 3.391808 3.684313 3.485015 3.885803 5.575310 4.782863 7.269128 7.206026 7.172160 4.374238 5.288702 4.548201 7.234047 6.861592 6.638971 1.808160 2.153603 2.124950 3.388489 3.097618 3.753554 3.306330 2.406148 3.532050 5.200746 4.931845 4.485343 5.102256 5.827273 5.389190 6.266554 7.008014 5.788260 4.699204 4.939061 0.000000 4.714778 4.013086 3.675683 5.444948 5.152547 5.578581 5.652954 5.591684 5.711083 3.247949 3.765576 3.107775 2.968973 6.529552 5.969113 6.558932 6.171481 7.086887 5.716774 5.116114 4.835152 4.361968 1.945661 2.142147 2.224937 3.607505 4.225450 4.054374 6.176925 5.601399 6.089906 2.971054 2.113080 2.971426 5.059388 5.568788 4.798811 4.679819 5.498151 3.952487 0.976196 1.538234 3.740074 0.000000 0.964750 4.745717 7.458116 3.504371 2.538552 4.881018 4.731120 3.972566 4.247205 4.892407 5.272145 7.069046 6.256671 8.568729 8.603498 8.422438 5.090829 5.890662 5.514967 8.752743 8.381608 8.166150 3.298805 3.702291 3.536899 4.452637 4.004231 4.586802 3.497252 2.532220 3.957808 6.623420 6.404182 5.832743 6.378851 7.104178 6.751758 7.720021 8.411290 7.254665 6.148711 6.438086 1.563514 5.174831 0.000000 H30O15 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 239.99100000000004 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;41;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;42;43;44;45/rA:45nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.6528,.6195,-1.0269;-.3315,-1.4865,-1.5224;2.8274,-.3688,-2.9757;-3.1128,.9408,1.7291;-3.4371,.8375,.8127;-1.3881,-2.8179,-2.0327;-1.7341,-2.664,-2.9205;-2.6732,.0881,1.9281;-2.131,-2.5897,-1.4222;.1921,-.7321,-1.1684;.3518,-.9377,-.2189;2.6146,.0128,-2.115;1.7349,-.3601,-1.8605;2.7628,-3.1214,.8046;3.2875,-2.335,.5218;2.5294,-3.5748,-.0148;-1.8807,-1.5382,2.0892;-2.0098,-2.0473,2.8986;-.9079,-1.5024,1.9365;4.0369,-.7594,.1712;3.5828,-.2042,.8375;3.6162,-.5037,-.6757;-1.1219,1.6591,-1.481;-.6694,.7957,-1.3316;-1.1233,2.1032,-.6073;-1.2519,2.8216,1.0902;-1.9104,2.1579,1.4138;-1.7067,3.6728,1.0992;-3.3192,-2.0567,-.2581;-3.4984,-1.1443,-.5611;-2.8274,-1.9419,.5808;1.5255,2.9536,.8057;1.6204,2.8599,-.1674;.5612,2.9067,.9598;.7484,-1.3223,1.4717;1.3746,-2.0591,1.2995;1.3157,-.569,1.7487;2.5001,.7357,1.9868;2.7966,.963,2.8764;2.166,1.5757,1.5784;1.5639,2.6205,-1.9764;2.0137,1.7595,-2.097;-2.8102,1.0303,-1.3274;.6159,2.3879,-1.9655;-4.3584,1.0245,-1.5453; 0.3157614 0.2372229 0.2011520 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 855 RedAO= T EigKep= 5.13D-05 NBF= 855 NBsUse= 855 1.00D-06 EigRej= -1.00D+00 NBFU= 855 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 938 931 931 932 938 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1147.23981655404 -1147.26795273093 -0.028136176890 -1147.26806501950 -0.000112288576 -1147.26808551914 -0.000020499635 -1147.26809634706 -0.000010827918 -1147.26809643256 -0.000000085503 -1147.26809645551 -0.000000022952 -1147.26809645588 -0.000000000366 -1147.26809646 8 1.143212684531e+03 -5.596403759973e+03 1.863452947100e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 15099494400 LenX= 15097683824 LenY= 15096789854 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT3920.600S Thu Jul 18 23:47:09 2024 -19.12985 -19.12893 -19.12780 -19.12717 -19.12659 -19.12153 -19.12132 -19.12029 -19.11818 -19.11682 -19.11518 -19.11497 -19.11390 -19.11389 -19.11227 -1.02894 -1.02318 -1.02089 -1.01924 -1.01525 -1.01292 -1.01177 -1.00848 -1.00531 -0.99945 -0.99740 -0.99442 -0.99266 -0.99098 -0.98701 -0.54181 -0.54115 -0.54092 -0.53726 -0.53605 -0.53041 -0.53012 -0.52881 -0.52794 -0.52666 -0.52470 -0.52176 -0.52026 -0.52003 -0.51831 -0.45070 -0.43756 -0.43393 -0.42741 -0.41555 -0.40770 -0.40412 -0.40183 -0.39790 -0.39321 -0.38874 -0.38325 -0.37981 -0.37458 -0.36321 -0.33131 -0.32954 -0.32875 -0.32777 -0.32772 -0.32663 -0.32372 -0.32157 -0.31908 -0.31858 -0.31790 -0.31633 -0.31461 -0.31399 -0.31324 -0.00321 0.02472 0.03135 0.03712 0.05684 0.05720 0.06095 0.07616 0.08203 0.09642 0.10026 0.10223 0.10549 0.10885 0.10975 0.12125 0.12278 0.13189 0.13555 0.13749 0.14234 0.14293 0.14931 0.15077 0.15430 0.16176 0.16690 0.17204 0.17319 0.17994 0.18407 0.18672 0.19105 0.19592 0.19718 0.20218 0.20766 0.21087 0.21139 0.21768 0.22011 0.22608 0.22776 0.22954 0.23360 0.23589 0.23887 0.24557 0.24752 0.25359 0.25534 0.25782 0.26323 0.26619 0.27001 0.27266 0.27566 0.27823 0.28202 0.28369 0.28528 0.28865 0.29166 0.29325 0.29566 0.29928 0.30055 0.30301 0.30663 0.30980 0.31850 0.33454 0.34233 0.34671 0.35208 0.35694 0.38435 0.39133 0.40081 0.41138 0.42639 0.44015 0.44539 0.45428 0.46436 0.46908 0.47995 0.48229 0.49096 0.49217 0.50227 0.50318 0.50404 0.51166 0.51599 0.52361 0.53011 0.53512 0.53981 0.54463 0.54801 0.55477 0.55790 0.56093 0.56566 0.57231 0.57625 0.57907 0.58215 0.58638 0.59230 0.59907 0.60298 0.61329 0.61783 0.61887 0.62836 0.63215 0.63986 0.64541 0.65276 0.66166 0.66840 0.67022 0.67353 0.68156 0.68741 0.70148 0.70276 0.70886 0.71421 0.72600 0.73067 0.73704 0.74755 0.75060 0.75733 0.76225 0.76736 0.78096 0.78520 0.78911 0.79690 0.80636 0.80730 0.81272 0.81812 0.83190 0.83463 0.84041 0.84460 0.84940 0.85619 0.85748 0.86235 0.86418 0.87419 0.87597 0.88037 0.88425 0.88758 0.88984 0.89390 0.89950 0.90739 0.91275 0.91998 0.92074 0.92659 0.93049 0.93683 0.94205 0.94867 0.95121 0.95600 0.96180 0.96448 0.97000 0.97523 0.98089 0.98290 0.98436 0.98668 0.99855 1.00570 1.01020 1.01648 1.01790 1.01976 1.02252 1.03073 1.03301 1.03882 1.04391 1.04759 1.05208 1.05629 1.06241 1.06702 1.06999 1.07358 1.07500 1.07649 1.07931 1.08184 1.08755 1.09406 1.09968 1.10754 1.10787 1.11167 1.12315 1.12769 1.13245 1.13329 1.14083 1.14207 1.14746 1.15263 1.15741 1.16138 1.17263 1.17343 1.17889 1.18981 1.19671 1.19877 1.20708 1.20881 1.21932 1.22521 1.23344 1.24456 1.24598 1.25267 1.25769 1.26575 1.27376 1.27502 1.27820 1.28784 1.29463 1.29877 1.31040 1.32227 1.32376 1.33782 1.34987 1.35060 1.35523 1.36410 1.37276 1.37753 1.37925 1.39005 1.39822 1.39975 1.40615 1.41055 1.41913 1.42347 1.44157 1.44420 1.44772 1.45345 1.46089 1.46417 1.47862 1.48789 1.49179 1.50670 1.51381 1.52395 1.53231 1.53382 1.54322 1.55049 1.55661 1.55999 1.57292 1.58397 1.58699 1.59629 1.60066 1.60367 1.60969 1.61278 1.62657 1.63085 1.63972 1.64607 1.65789 1.67489 1.68016 1.68770 1.70213 1.71980 1.73147 1.73557 1.74853 1.76549 1.78566 1.79701 1.80868 1.82752 1.85089 1.85520 1.88065 1.89800 1.89963 1.91141 1.93716 1.94604 1.95520 1.96196 1.99164 2.01156 2.04443 2.05555 2.07450 2.08034 2.10178 2.12181 2.13041 2.14826 2.15542 2.18450 2.20369 2.21532 2.23206 2.23982 2.24274 2.26428 2.27961 2.28623 2.29036 2.31264 2.32166 2.33506 2.34382 2.36531 2.38246 2.40192 2.42099 2.43475 2.70559 2.72337 2.72486 2.73432 2.74070 2.74774 2.75704 2.76781 2.76908 2.79012 2.80294 2.80803 2.82192 2.83258 2.83813 2.84054 2.85419 2.87217 2.88108 2.88712 2.90878 2.92950 2.95045 2.95698 2.96995 2.97413 3.00213 3.03186 3.03408 3.07014 3.10976 3.12985 3.13818 3.15479 3.16096 3.16208 3.17653 3.18596 3.19487 3.20580 3.22135 3.23141 3.23772 3.24381 3.24785 3.25867 3.26246 3.27257 3.28256 3.28450 3.30062 3.31258 3.32505 3.33219 3.33838 3.34401 3.34745 3.35375 3.36843 3.37117 3.37448 3.38980 3.39409 3.40142 3.40464 3.41079 3.41879 3.43007 3.43133 3.43551 3.44035 3.44908 3.45015 3.45913 3.46505 3.47336 3.47994 3.48106 3.48366 3.49255 3.49666 3.49878 3.50810 3.51546 3.52667 3.53347 3.53993 3.54139 3.54805 3.55553 3.55687 3.57064 3.58477 3.59145 3.59665 3.61135 3.62108 3.62557 3.63452 3.64109 3.64737 3.65682 3.69385 3.69698 3.79746 3.83519 3.83684 3.84327 3.84797 3.85350 3.85791 3.86681 3.93450 3.94568 3.95122 3.97115 3.98160 3.98496 3.99370 4.01370 4.01607 4.02443 4.03804 4.07036 4.07600 4.09715 4.10809 4.11638 4.12358 4.13004 4.13381 4.13708 4.14716 4.15028 4.15789 4.17644 4.18010 4.19358 4.20036 4.20849 4.21002 4.21796 4.24022 4.25113 4.25301 4.27128 4.28167 4.29016 4.30300 4.32394 4.33053 4.34841 4.35256 4.35579 4.36606 4.37191 4.38079 4.38761 4.40387 4.41220 4.41747 4.43862 4.44623 4.47554 4.48585 4.64459 4.65076 4.65509 4.65762 4.65860 4.66454 4.67007 4.69031 4.73797 4.76193 4.76882 4.78110 4.80140 4.81146 4.82762 4.84716 4.86049 4.86895 4.87763 4.88115 4.88452 4.89186 4.89953 4.91227 4.92004 4.93250 4.94665 4.96008 4.96931 4.99591 5.02180 5.02557 5.03068 5.03814 5.04100 5.04280 5.07029 5.08589 5.13788 5.14825 5.16276 5.16751 5.17085 5.17721 5.18471 5.18689 5.19387 5.21421 5.21458 5.21769 5.22734 5.23883 5.24405 5.25870 5.26134 5.26805 5.26954 5.27992 5.28195 5.28528 5.29389 5.30934 5.31005 5.31929 5.32090 5.33233 5.33691 5.34443 5.34837 5.35640 5.36262 5.36799 5.37411 5.37827 5.38263 5.38717 5.39235 5.40418 5.40866 5.41065 5.41660 5.41947 5.42404 5.43421 5.43818 5.44529 5.44819 5.45115 5.46057 5.46712 5.47795 5.48531 5.49100 5.49903 5.50574 5.51417 5.52832 5.53982 5.54501 5.55495 5.56321 5.57144 5.57477 5.57724 5.58033 5.58587 5.59000 5.59203 5.59519 5.59615 5.59972 5.60544 5.60807 5.61281 5.62014 5.62569 5.62803 5.63404 5.63610 5.64588 5.66159 5.67123 5.67736 5.68510 5.69775 5.70024 5.70949 5.72201 5.72608 5.73192 5.74836 5.75278 5.77381 5.78276 5.79736 5.82432 5.83599 5.85710 5.87220 5.87961 5.90404 5.92128 5.92978 5.93604 5.94274 5.95703 5.97157 5.99217 6.01313 6.04059 6.94721 6.95454 6.95813 6.96414 6.96828 6.97418 6.98914 6.99057 6.99410 6.99774 6.99986 7.01039 7.01401 7.02206 7.02456 7.02707 7.03688 7.04174 7.05468 7.06225 7.07727 7.09083 7.09302 7.10155 7.11191 7.12073 7.13189 7.14713 7.16065 7.19844 14.36169 14.37000 14.37227 14.37611 14.37816 14.38198 14.38509 14.38961 14.39197 14.39434 14.39522 14.39624 14.40000 14.40167 14.40585 14.40877 14.41040 14.41073 14.41340 14.41506 14.41740 14.42250 14.43535 14.43947 14.44333 14.44585 14.45298 14.45672 14.46450 14.46827 14.47035 14.47444 14.47608 14.47771 14.48512 14.48939 14.49926 14.50581 14.51447 14.52092 14.52567 14.53600 14.53999 14.57213 14.60380 14.67455 14.67721 14.67989 14.68435 14.68599 14.68753 14.69049 14.69334 14.69786 14.70073 14.70494 14.70730 14.71678 14.73337 14.82613 15.05346 15.06005 15.06235 15.06462 15.06746 15.06904 15.07134 15.07190 15.07863 15.08240 15.08586 15.08730 15.08917 15.09135 15.09592 50.01536 50.01939 50.02768 50.03254 50.03676 50.04486 50.05205 50.05245 50.06078 50.06734 50.08292 50.08841 50.10314 50.12449 50.16586 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.726257 0.508949 0.292615 -0.862477 0.407119 -0.831192 0.292772 0.451866 0.503320 -1.008127 0.542762 -0.802233 0.505840 -0.787429 0.489603 0.282860 -0.781892 0.304531 0.481757 -0.865930 0.423054 0.437494 -0.985182 0.560513 0.472859 -0.807444 0.495390 0.281494 -0.833679 0.406949 0.422552 -0.883274 0.437846 0.442200 -0.885475 0.441049 0.434019 -0.805470 0.303104 0.509388 -0.808872 0.417593 0.431611 0.381976 0.311848 -0.00000 -4.8942 -0.4849 -1.4086 5.1159 -122.0333 -120.3132 -83.4795 -15.8810 5.3608 9.3386 -13.4247 -11.7045 25.1292 -15.8810 5.3608 9.3386 -107.9593 17.7632 -1.9125 -61.2480 58.0128 -62.5261 10.5897 -51.6165 20.2636 57.8623 -4071.2290 -2545.0283 -1152.1349 -102.9983 180.6511 -282.4069 99.8878 64.2413 93.8599 -1135.3280 -659.7906 -669.6091 41.2885 -80.6929 69.1455 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GRINYON LAMSABHI 18-Jul-2024 0 Single Point 15-agua/ CONF67 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1147.2680965 RMSD=7.229e-09 Dipole=1.4177217,0.8396609,1.155963 Quadrupole=2.8996824,14.851562,-17.7512444,3.2261611,-1.3413972,-13.4702838 PG=C01 [X(H30O15)] 0 3.2960829783 1.0240190678 1.6797458273 0 -0.2444867583 2.1228961971 0.2766887012 0 -1.3346865493 2.2218615482 -3.2078333323 0 2.2685748514 -1.4825768854 2.4869557623 0 2.7153252721 -0.6299946336 2.3163000783 0 -0.1796285472 3.4385410026 1.465889157 0 0.4364880114 4.1269837582 1.1866836043 0 1.355324404 -1.2315824114 2.7377780751 0 0.3050273977 2.9211930192 2.1544367828 0 -0.2478662679 1.3353969998 -0.3137114442 0 -0.7832711768 0.6527623593 0.1516512628 0 -1.2065409042 1.3371967928 -2.8435745598 0 -0.8958254531 1.4666626815 -1.9138832701 0 -4.1932663704 0.6887410369 0.1611648501 0 -3.9813759175 0.4026587013 -0.7591134395 0 -4.0624589969 1.644984877 0.162707689 0 -0.2867236571 -0.568196084 3.1407424002 0 -0.7659936151 -0.9245138791 3.8985407547 0 -0.9083481722 -0.6054943186 2.3770819613 0 -3.4087193604 -0.3027150662 -2.289297645 0 -2.939465861 -1.0908220811 -1.9470714102 0 -2.6875747828 0.3063155515 -2.5514716071 0 2.2954678167 0.4433292371 -0.8409359887 0 1.3815249376 0.7388139827 -0.6175144186 0 2.3090321567 -0.5177388587 -0.649276805 0 2.3333344215 -2.285765793 -0.1129332184 0 2.2815936844 -2.0821127779 0.8538336589 0 3.1925052192 -2.7033173343 -0.2505958346 0 1.1287497024 1.8465242159 3.2579456709 0 1.9267232473 1.6090686612 2.7448958953 0 0.5940678773 1.0262843617 3.2691318123 0 0.530913222 -2.5326719203 -2.2349351531 0 0.7032864368 -1.7002985559 -2.7270016623 0 1.1389911278 -2.4914169836 -1.470491328 0 -1.828260255 -0.5687560891 0.9128321833 0 -2.6866181931 -0.1071732568 0.79132353 0 -1.8397008179 -1.2991715362 0.2552572183 0 -1.9285276044 -2.3965157095 -1.1410487003 0 -2.2687741149 -3.292625802 -1.0307473116 0 -1.0339161719 -2.4849747172 -1.560357035 0 1.1480683859 -0.0825599237 -3.4466735274 0 0.3204978734 0.4323019312 -3.3550869567 0 3.0497734687 0.9163033797 0.7328370718 0 1.6710182877 0.1771136545 -2.6643360747 0 4.213180321 1.3230931931 1.6949093053