Gaussian 16 GINC-GARGANTILLA LAMSABHI Optimization 14H2O CONF7 gas EM64L-G16RevC.01 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 42 42 70 70 476 (5D, 7F) 6-311+G(d,p) 120 120 C1[X(H28O14)] C1[X(H28O14)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 223.99160000000003 0 1 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7415,-1.3174,.3088;2.4102,-2.1873,.5247;1.2041,-2.3436,-1.1515;-1.0543,.8197,-3.1564;-1.1015,.7412,-4.1106;-1.8003,2.8852,-.0536;-2.4425,3.5626,.1651;-.6895,1.7364,-2.9504;-2.3171,2.1133,-.4114;2.7506,-1.6087,1.2648;3.6679,-1.8529,1.4003;1.6465,-3.0437,-.6395;.9185,-3.4976,-.182;1.8236,.8015,.148;2.3169,.101,.6123;1.2278,1.2436,.8147;-1.1669,-.3245,2.6877;-1.9639,-.2882,3.2195;-1.4357,-.6656,1.793;.6556,-2.479,2.9812;1.4703,-2.1533,2.5606;.0895,-1.6953,3.0811;-3.0507,.8371,-1.1497;-2.8796,.0173,-.6636;-2.5406,.7545,-1.9744;-.54,-3.7859,1.0317;-.1037,-3.3667,1.8232;-.795,-4.6723,1.2919;.1312,1.9769,1.7756;-.3251,1.2598,2.2481;-.5455,2.3721,1.1977;.2349,-.7472,-1.354;.8223,-.1126,-.8768;-.1338,-.2737,-2.1285;2.3753,2.8891,-1.5022;2.3373,2.1,-.9249;2.6375,3.6116,-.9298;-.1882,3.1284,-2.4163;.7559,3.0932,-2.1474;-.9931,-1.0933,-.3061;-.6921,3.2484,-1.5953;-1.6515,-2.2746,.4498; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/lamsabhi/opt-b3lyp.gjf-6520699/Gau-1534691.inp" -scrdir="/temporal/lamsabhi/opt-b3lyp.gjf-6520699/" chk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization 14H2O CONF7 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 1 2 2 3 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 13 14 14 14 14 16 17 17 17 17 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 38 38 19 40 42 10 12 12 32 5 8 25 34 7 9 31 41 38 23 11 15 21 13 26 15 16 33 36 29 18 19 22 30 21 22 27 24 25 27 28 42 30 31 33 34 40 36 37 39 39 41 1.6496 0.9942 0.9717 0.9992 1.6346 0.9736 1.8786 0.9586 1.0079 1.9001 1.7605 0.9587 0.9955 1.8448 1.9331 1.573 1.6468 0.9589 1.8807 1.9013 0.9722 1.9193 0.9746 0.9974 1.6996 1.7609 1.632 0.9589 0.9945 1.9007 1.8471 0.973 0.9719 1.6448 0.9683 0.9732 0.9963 0.9583 1.9642 0.9724 0.9737 0.9876 0.9798 1.651 0.9785 0.9584 1.7552 0.9822 0.9708 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A68 A69 A70 A71 A72 A73 A74 19 19 40 12 5 5 5 8 8 25 7 7 7 9 9 31 2 2 2 11 11 15 2 2 3 12 15 15 15 16 16 33 10 18 18 18 19 19 22 21 21 22 10 17 9 9 24 4 13 13 13 27 27 28 16 16 30 17 3 3 3 33 33 34 4 36 36 37 14 8 8 39 6 1 1 1 1 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 14 14 14 15 17 17 17 17 17 17 20 20 20 21 22 23 23 23 25 26 26 26 26 26 26 29 29 29 30 32 32 32 32 32 32 34 35 35 35 36 38 38 38 41 42 40 42 42 32 8 25 34 25 34 34 9 31 41 31 41 41 11 15 21 15 21 21 3 13 13 26 16 33 36 33 36 36 14 19 22 30 22 30 30 22 27 27 20 20 24 25 25 23 27 28 42 28 42 42 30 31 31 29 33 34 40 34 40 40 32 37 39 39 35 39 41 41 38 26 109.1369 103.9776 104.0065 154.4429 107.2033 125.3037 123.7846 100.7857 104.8534 91.4005 106.3858 119.8307 115.6691 112.4093 99.0124 101.7288 106.4492 101.0032 96.2903 120.0725 118.3549 109.9743 102.1301 105.0269 104.0603 159.5064 107.6101 101.473 132.2715 106.8311 104.7519 101.6009 159.3127 106.7014 117.5102 118.5764 96.7459 101.7297 111.5082 105.2035 105.2372 103.8044 162.6185 160.963 110.6311 102.249 105.128 159.1024 96.1052 120.8522 97.303 106.8563 99.1778 129.9067 105.6695 107.4546 105.1627 164.1419 100.7873 133.6346 97.8836 107.1677 105.6896 108.8507 163.4214 105.4392 105.9499 112.603 164.9002 111.5666 103.3611 105.7732 161.595 148.5752 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 10 4 6 14 1 20 6 14 35 1 10 4 6 14 1 20 6 14 35 1 2 8 9 16 19 27 31 33 39 40 2 8 9 16 19 27 31 33 39 40 12 38 23 29 17 26 29 32 38 32 12 38 23 29 17 26 29 32 38 32 6 2 2 1 2 1 1 2 1 6 6 2 2 1 2 1 1 2 1 6 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 173.0667 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 175.7989 177.6501 176.4064 174.5245 173.2313 172.3729 172.6246 172.8918 180.8394 184.1791 187.341 186.2233 185.1654 181.6353 174.3206 175.5334 174.5358 177.8076 181.112 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 40 40 40 42 42 42 19 19 19 42 42 42 19 40 5 5 25 25 34 34 7 7 31 31 41 41 7 7 9 9 41 41 11 11 15 15 21 21 32 32 12 12 12 5 8 34 5 8 25 7 9 31 2 11 21 2 11 15 2 3 12 12 12 16 33 36 15 15 33 33 36 36 15 15 15 16 16 16 36 36 36 15 16 33 18 19 30 18 19 22 22 27 21 27 21 21 21 22 22 22 9 24 13 27 28 16 31 3 33 40 37 39 36 36 37 37 8 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 3 3 3 3 3 4 4 4 4 4 4 6 6 6 10 10 10 10 10 10 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 35 35 35 38 38 17 17 17 17 17 17 32 32 32 32 32 32 42 42 38 38 38 38 38 38 23 23 23 23 23 23 29 29 29 29 29 29 12 12 12 12 12 12 12 12 32 32 32 25 25 25 34 34 34 41 41 41 15 15 15 21 21 21 13 13 26 26 26 15 15 15 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 22 22 22 30 30 30 21 21 22 22 26 26 26 26 26 26 25 25 42 42 42 30 30 34 34 34 36 36 38 38 38 38 41 41 18 22 30 18 22 30 3 33 34 3 33 34 26 26 39 41 39 41 39 41 24 25 24 25 24 25 16 30 16 30 16 30 3 13 3 13 3 13 2 13 33 34 40 23 23 23 32 32 32 38 38 38 14 14 14 20 20 20 26 26 27 28 42 10 10 10 30 31 30 31 30 31 3 34 40 3 34 40 3 34 40 35 35 35 20 20 20 29 29 29 10 10 17 17 13 28 42 13 28 42 4 4 1 1 1 17 17 4 4 4 14 14 8 41 8 41 6 6 162.9465 -76.2797 36.5492 -87.5532 33.2206 146.0495 95.9881 -7.6729 -122.673 -14.6266 -118.2876 126.7123 -57.2645 56.9574 -101.9165 146.3687 125.6349 13.92 32.7416 -78.9732 -123.2905 126.1089 12.4444 -98.1561 117.3876 6.787 -162.2082 87.9356 71.736 -38.1202 -32.026 -141.8822 -133.1707 119.5838 -6.078 -113.3235 104.6607 -2.5848 -41.2796 67.82 56.9513 -176.4059 -50.7647 -168.0237 -47.77 57.638 -169.0651 67.8696 -33.6759 -139.6816 -26.5321 88.7544 33.9433 150.426 -66.9764 -27.4819 -140.0145 76.663 39.8768 -67.0724 -44.0646 -157.8673 56.0389 94.3824 -17.6051 -135.1083 -46.4156 -157.4481 61.6277 -49.4048 167.3768 56.3443 -16.0659 -159.8762 83.5964 -127.3344 88.8554 -27.672 122.1141 -21.6961 -138.2235 -173.9878 -42.5238 68.5592 117.832 5.0091 -100.4558 -135.6126 -19.0405 83.1271 -86.2329 23.0539 85.3787 -24.9387 3.6592 128.7336 -93.9519 112.6715 -122.2541 15.0604 32.3906 -83.2162 -57.5113 39.919 161.1199 -40.9217 72.5803 164.6292 -70.954 42.909 93.3848 -26.1947 -48.8328 60.4013 -162.3003 -53.0662 14.4346 -102.932 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 490 A 476 A 728 490 1303.4962655209 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.44D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Berny optimization. local minimum Step number 23 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00031 0.00135 0.00413 0.00567 0.00603 0.00635 0.00691 0.00710 0.00758 0.00777 0.00847 0.00942 0.01039 0.01221 0.01308 0.01498 0.01690 0.01794 0.01961 0.02143 0.02214 0.02477 0.02670 0.02731 0.02847 0.02972 0.03280 0.03371 0.03668 0.03889 0.03967 0.04168 0.04319 0.04359 0.04497 0.04589 0.04724 0.04864 0.04887 0.05054 0.05104 0.05157 0.05269 0.05347 0.05422 0.05445 0.05647 0.05672 0.05752 0.05780 0.05905 0.06110 0.06163 0.06190 0.06264 0.06457 0.06554 0.06685 0.06778 0.06941 0.07058 0.07128 0.07378 0.07590 0.07600 0.07636 0.07974 0.08069 0.08164 0.08395 0.08506 0.08866 0.08957 0.09197 0.09285 0.09661 0.09865 0.10519 0.10697 0.11132 0.11648 0.12615 0.12914 0.13412 0.13841 0.14469 0.14939 0.15357 0.15959 0.18083 0.18730 0.19271 0.39077 0.39744 0.40521 0.41871 0.43307 0.44265 0.45930 0.46808 0.47046 0.47213 0.48947 0.49219 0.49509 0.49791 0.50079 0.50584 0.51274 0.51789 0.52176 0.52520 0.53135 0.54077 0.55712 0.55718 0.55760 0.55791 0.55826 0.56178 -7.34924464e-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 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 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 3.21690 1.87237 1.84299 1.88755 3.15350 1.84531 3.51331 1.81708 1.89665 3.57347 3.42455 1.81796 1.88145 3.50402 3.60518 3.06775 3.17931 1.81812 3.54062 3.57331 1.84050 3.62777 1.84477 1.87768 3.31411 3.33405 3.18543 1.81803 1.87619 3.58589 3.52163 1.84346 1.84098 3.16884 1.83761 1.84390 1.88372 1.81724 3.61902 1.84097 1.84427 1.86343 1.84967 3.23105 1.85467 1.81595 3.36768 1.85376 1.83995 1.93819 1.82175 1.82081 2.70894 1.87524 2.20966 2.19260 1.77342 1.77473 1.56104 1.86215 2.10805 2.06647 1.91913 1.75167 1.72323 1.86743 1.77794 1.68204 2.11547 2.10150 1.84077 1.81991 1.88450 1.82549 2.77165 1.88024 1.79122 2.31260 1.85311 1.87561 1.69424 2.80028 1.86905 2.10753 2.08277 1.67515 1.77756 1.87446 1.85208 1.89671 1.86738 2.82921 2.78669 1.99817 1.82027 1.83945 2.78232 1.67626 2.15004 1.65596 1.87414 1.71981 2.26619 1.88527 1.92164 1.83271 2.86754 1.78302 2.35340 1.63196 1.87758 1.86416 1.90284 2.84264 1.86010 1.88341 2.14087 2.85068 1.98174 1.85288 1.86174 2.81074 2.63617 2.96876 3.02010 3.05901 3.05634 2.98149 2.97251 2.98768 2.96646 2.98902 3.14156 3.23133 3.28962 3.26380 3.24907 3.15676 3.01529 3.07419 3.01357 3.18786 3.18014 2.82949 -1.29071 0.59247 -1.52995 0.63304 2.51622 1.74195 -0.07338 -2.09741 -0.22193 -2.03725 2.22190 -1.03810 0.99741 -1.75614 2.52746 2.17001 0.17043 0.59424 -1.40534 -2.14009 2.17091 0.22600 -1.74618 1.99269 0.02051 -2.82161 1.48723 1.28924 -0.68511 -0.51626 -2.49060 -2.32832 2.05220 -0.06984 -1.97251 1.77869 -0.12398 -0.69334 1.28381 0.93026 -3.07464 -0.95527 -2.82431 -0.69042 1.08659 -2.87635 1.28356 -0.49215 -2.23624 -0.22002 1.73967 0.50967 2.57718 -1.23790 -0.28603 -2.27554 1.53294 0.67622 -1.25461 -0.68640 -2.69966 1.04395 1.69630 -0.25497 -2.21178 -0.77775 -2.74690 1.11973 -0.84942 2.88334 0.91419 -0.24830 -2.82128 1.41014 -2.18999 1.52022 -0.53155 2.14071 -0.43227 -2.48404 2.83415 -1.07251 0.83810 1.94810 -0.04090 -1.86347 -2.44846 -0.39710 1.35189 -1.73560 0.26728 1.66680 -0.35602 0.02318 2.25747 -1.63434 1.97766 -2.07124 0.32014 0.51708 -1.59330 -1.02292 0.66781 2.78391 -0.68716 1.36317 2.69912 -1.33608 0.67931 2.36845 0.03894 -1.08773 0.89495 3.03596 -1.26455 0.10422 -2.01452 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 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 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -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 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00010 0.00006 0.00001 0.00004 -0.00009 0.00002 -0.00022 0.00000 -0.00001 -0.00018 -0.00011 0.00001 0.00003 -0.00048 -0.00050 0.00004 -0.00003 0.00001 -0.00038 -0.00021 0.00002 -0.00019 0.00003 0.00004 0.00034 -0.00022 -0.00012 0.00001 0.00002 -0.00040 -0.00008 0.00002 0.00003 0.00019 0.00001 0.00001 -0.00002 0.00001 0.00005 0.00001 0.00002 -0.00003 0.00001 -0.00035 0.00002 -0.00000 0.00006 0.00000 0.00002 -0.00015 0.00010 0.00007 0.00002 -0.00001 0.00013 0.00000 -0.00006 -0.00015 0.00002 -0.00007 -0.00004 0.00005 0.00005 -0.00033 0.00030 -0.00015 -0.00012 -0.00017 0.00009 -0.00007 0.00029 -0.00007 -0.00012 -0.00012 0.00007 -0.00005 0.00009 -0.00006 -0.00013 0.00014 -0.00003 -0.00015 -0.00003 0.00001 -0.00018 -0.00030 0.00035 0.00017 -0.00018 -0.00007 -0.00000 0.00007 0.00019 0.00002 0.00011 -0.00004 -0.00017 -0.00006 -0.00007 0.00010 -0.00006 -0.00010 0.00012 -0.00011 0.00012 -0.00002 0.00001 0.00003 -0.00007 -0.00001 0.00002 0.00001 0.00003 -0.00001 0.00003 -0.00003 0.00024 -0.00012 -0.00008 0.00005 0.00002 0.00016 -0.00024 0.00040 0.00004 0.00015 0.00005 0.00021 0.00007 -0.00011 -0.00011 0.00010 -0.00003 -0.00015 0.00006 -0.00021 -0.00005 -0.00029 0.00002 -0.00028 0.00016 0.00010 0.00008 -0.00016 -0.00021 -0.00004 -0.00004 -0.00008 0.00009 -0.00010 -0.00014 -0.00018 -0.00022 -0.00026 -0.00030 -0.00004 -0.00013 0.00011 0.00009 0.00003 0.00000 0.00003 0.00001 -0.00003 -0.00011 -0.00020 -0.00028 0.00008 -0.00000 -0.00013 -0.00000 -0.00009 0.00004 0.00019 0.00032 -0.00032 -0.00019 -0.00040 -0.00026 -0.00010 0.00004 0.00051 0.00030 -0.00024 -0.00024 -0.00025 -0.00003 -0.00001 -0.00016 -0.00012 0.00003 0.00010 -0.00002 -0.00031 -0.00026 0.00020 -0.00004 0.00034 0.00007 0.00039 -0.00006 0.00002 0.00020 -0.00016 -0.00001 -0.00026 -0.00025 -0.00012 -0.00014 -0.00011 -0.00010 -0.00008 -0.00007 -0.00010 -0.00009 -0.00014 -0.00003 -0.00014 -0.00008 0.00003 -0.00009 -0.00019 -0.00008 -0.00020 -0.00098 -0.00093 -0.00105 0.00017 0.00042 0.00012 0.00026 0.00039 0.00023 0.00022 0.00009 -0.00024 -0.00007 0.00002 -0.00012 -0.00007 -0.00020 -0.00035 -0.00029 0.00003 -0.00003 0.00026 0.00021 0.00010 -0.00017 -0.00009 0.00008 0.00007 0.00011 0.00152 0.00121 -0.00053 -0.00045 -0.00081 -0.00073 0.00032 0.00037 -0.00007 -0.00003 -0.00001 -0.00001 0.00001 -0.00001 0.00019 0.00000 0.00001 0.00017 -0.00006 0.00000 -0.00000 -0.00000 0.00017 -0.00001 0.00001 -0.00000 0.00009 0.00028 -0.00001 0.00018 -0.00001 -0.00002 -0.00000 0.00009 0.00007 0.00000 0.00000 0.00022 0.00009 -0.00002 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00023 -0.00000 0.00001 0.00000 0.00000 0.00019 -0.00001 0.00000 0.00023 -0.00002 -0.00001 -0.00002 0.00001 -0.00004 0.00001 -0.00004 0.00004 0.00001 -0.00003 0.00003 -0.00001 -0.00001 0.00001 0.00002 -0.00003 0.00005 -0.00003 0.00003 0.00006 0.00005 -0.00002 -0.00004 -0.00004 0.00001 0.00002 0.00004 0.00001 0.00004 0.00000 -0.00003 0.00001 0.00000 -0.00002 0.00002 0.00001 0.00001 -0.00000 0.00004 -0.00002 -0.00002 0.00005 -0.00004 -0.00004 0.00002 0.00001 -0.00004 0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00002 -0.00002 -0.00000 0.00003 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00002 0.00000 -0.00000 0.00003 0.00005 0.00000 -0.00001 -0.00003 -0.00000 0.00000 0.00002 -0.00013 0.00001 -0.00006 -0.00005 -0.00003 0.00001 0.00006 -0.00003 -0.00004 -0.00002 0.00007 -0.00005 0.00005 0.00007 0.00002 0.00001 0.00011 -0.00001 -0.00000 0.00005 0.00001 0.00003 0.00001 -0.00004 -0.00001 -0.00004 0.00002 0.00002 0.00001 0.00002 0.00001 0.00001 0.00004 0.00002 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00006 0.00006 0.00007 0.00006 0.00003 0.00002 0.00001 -0.00001 0.00006 0.00004 0.00001 -0.00001 0.00000 -0.00003 0.00005 0.00001 0.00001 -0.00003 -0.00012 -0.00008 0.00005 0.00005 0.00006 0.00007 0.00002 0.00004 -0.00000 0.00002 0.00005 -0.00011 -0.00007 -0.00010 0.00015 0.00023 0.00008 -0.00011 -0.00018 -0.00004 0.00013 0.00009 -0.00005 -0.00003 -0.00005 -0.00007 -0.00010 -0.00006 0.00000 0.00003 0.00002 0.00004 -0.00002 0.00001 0.00006 0.00007 0.00004 0.00001 0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00015 -0.00012 -0.00011 0.00009 0.00004 0.00006 -0.00007 -0.00007 -0.00004 0.00009 0.00006 -0.00009 -0.00006 -0.00003 -0.00003 -0.00000 0.00001 0.00000 0.00003 -0.00002 0.00001 -0.00007 -0.00008 -0.00008 0.00000 -0.00001 -0.00005 -0.00006 -0.00005 0.00017 0.00009 0.00004 -0.00002 -0.00002 -0.00008 0.00003 0.00005 -0.00017 0.00003 -0.00001 0.00004 -0.00008 0.00001 -0.00003 0.00001 -0.00000 -0.00001 -0.00017 0.00001 0.00003 -0.00048 -0.00033 0.00003 -0.00002 0.00001 -0.00029 0.00007 0.00001 -0.00001 0.00002 0.00002 0.00033 -0.00013 -0.00005 0.00001 0.00003 -0.00018 0.00000 0.00001 0.00002 0.00019 0.00002 0.00001 -0.00002 0.00001 0.00028 0.00000 0.00003 -0.00003 0.00002 -0.00017 0.00002 0.00000 0.00029 -0.00002 0.00002 -0.00017 0.00011 0.00004 0.00004 -0.00005 0.00017 0.00001 -0.00009 -0.00012 0.00001 -0.00007 -0.00003 0.00006 0.00002 -0.00028 0.00028 -0.00011 -0.00007 -0.00012 0.00007 -0.00010 0.00025 -0.00006 -0.00010 -0.00008 0.00008 -0.00001 0.00009 -0.00009 -0.00012 0.00014 -0.00005 -0.00013 -0.00002 0.00002 -0.00018 -0.00027 0.00033 0.00015 -0.00013 -0.00011 -0.00004 0.00009 0.00021 -0.00002 0.00013 -0.00001 -0.00016 -0.00006 -0.00007 0.00007 -0.00008 -0.00011 0.00016 -0.00010 0.00011 -0.00003 0.00003 0.00003 -0.00008 -0.00002 0.00002 0.00001 0.00005 -0.00001 0.00003 0.00000 0.00030 -0.00012 -0.00009 0.00002 0.00002 0.00017 -0.00023 0.00027 0.00005 0.00009 0.00000 0.00017 0.00008 -0.00006 -0.00014 0.00006 -0.00005 -0.00008 0.00002 -0.00017 0.00002 -0.00027 0.00003 -0.00017 0.00014 0.00010 0.00013 -0.00015 -0.00018 -0.00003 -0.00007 -0.00010 0.00005 -0.00008 -0.00013 -0.00016 -0.00020 -0.00025 -0.00029 0.00000 -0.00012 0.00012 0.00011 0.00001 0.00000 0.00002 0.00002 0.00003 -0.00005 -0.00013 -0.00022 0.00010 0.00002 -0.00012 -0.00002 -0.00003 0.00008 0.00020 0.00030 -0.00032 -0.00022 -0.00035 -0.00025 -0.00009 0.00001 0.00039 0.00022 -0.00019 -0.00020 -0.00020 0.00004 0.00001 -0.00012 -0.00012 0.00006 0.00015 -0.00013 -0.00038 -0.00036 0.00035 0.00019 0.00043 -0.00005 0.00021 -0.00011 0.00014 0.00029 -0.00021 -0.00004 -0.00031 -0.00032 -0.00022 -0.00020 -0.00011 -0.00007 -0.00006 -0.00003 -0.00012 -0.00008 -0.00008 0.00004 -0.00010 -0.00007 0.00005 -0.00009 -0.00018 -0.00006 -0.00020 -0.00113 -0.00105 -0.00116 0.00026 0.00046 0.00018 0.00019 0.00032 0.00019 0.00032 0.00015 -0.00033 -0.00013 -0.00000 -0.00015 -0.00007 -0.00020 -0.00035 -0.00027 0.00001 -0.00002 0.00019 0.00013 0.00001 -0.00016 -0.00010 0.00002 0.00002 0.00006 0.00169 0.00130 -0.00049 -0.00047 -0.00083 -0.00081 0.00035 0.00043 3.21672 1.87240 1.84298 1.88759 3.15342 1.84532 3.51328 1.81709 1.89665 3.57346 3.42437 1.81797 1.88148 3.50354 3.60485 3.06778 3.17929 1.81814 3.54033 3.57338 1.84051 3.62776 1.84479 1.87770 3.31444 3.33392 3.18538 1.81804 1.87621 3.58571 3.52163 1.84347 1.84100 3.16903 1.83763 1.84391 1.88370 1.81725 3.61930 1.84097 1.84430 1.86340 1.84969 3.23089 1.85468 1.81595 3.36797 1.85374 1.83997 1.93803 1.82186 1.82085 2.70898 1.87519 2.20983 2.19261 1.77333 1.77461 1.56104 1.86207 2.10801 2.06653 1.91915 1.75139 1.72350 1.86732 1.77787 1.68192 2.11553 2.10140 1.84102 1.81985 1.88440 1.82541 2.77173 1.88023 1.79132 2.31251 1.85299 1.87575 1.69420 2.80015 1.86903 2.10756 2.08259 1.67488 1.77789 1.87460 1.85195 1.89660 1.86734 2.82930 2.78690 1.99815 1.82039 1.83944 2.78216 1.67620 2.14998 1.65603 1.87406 1.71970 2.26634 1.88517 1.92175 1.83267 2.86757 1.78305 2.35332 1.63195 1.87760 1.86417 1.90288 2.84263 1.86013 1.88341 2.14117 2.85056 1.98165 1.85290 1.86176 2.81090 2.63594 2.96903 3.02015 3.05910 3.05634 2.98166 2.97259 2.98762 2.96633 2.98908 3.14151 3.23125 3.28964 3.26364 3.24909 3.15649 3.01532 3.07402 3.01372 3.18796 3.18027 2.82934 -1.29088 0.59244 -1.53002 0.63294 2.51627 1.74187 -0.07350 -2.09758 -0.22213 -2.03751 2.22161 -1.03810 0.99729 -1.75603 2.52757 2.17002 0.17043 0.59427 -1.40532 -2.14006 2.17086 0.22586 -1.74640 1.99280 0.02054 -2.82173 1.48721 1.28921 -0.68503 -0.51606 -2.49030 -2.32864 2.05197 -0.07019 -1.97276 1.77860 -0.12397 -0.69295 1.28403 0.93007 -3.07483 -0.95546 -2.82427 -0.69041 1.08647 -2.87647 1.28362 -0.49200 -2.23636 -0.22040 1.73930 0.51002 2.57736 -1.23747 -0.28608 -2.27533 1.53283 0.67636 -1.25432 -0.68660 -2.69970 1.04364 1.69598 -0.25520 -2.21198 -0.77786 -2.74697 1.11967 -0.84945 2.88322 0.91410 -0.24838 -2.82124 1.41004 -2.19006 1.52026 -0.53164 2.14053 -0.43233 -2.48424 2.83302 -1.07356 0.83694 1.94836 -0.04044 -1.86330 -2.44827 -0.39679 1.35208 -1.73529 0.26744 1.66647 -0.35615 0.02317 2.25731 -1.63441 1.97746 -2.07159 0.31987 0.51709 -1.59332 -1.02273 0.66795 2.78393 -0.68732 1.36307 2.69914 -1.33606 0.67937 2.37015 0.04024 -1.08822 0.89448 3.03513 -1.26536 0.10457 -2.01409 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.001630 0.000246 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.673091e-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 1 1 1 2 2 3 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 13 14 14 14 14 16 17 17 17 17 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 38 38 19 40 42 10 12 12 32 5 8 25 34 7 9 31 41 38 23 11 15 21 13 26 15 16 33 36 29 18 19 22 30 21 22 27 24 25 27 28 42 30 31 33 34 40 36 37 39 39 41 1.7023 0.9908 0.9753 0.9988 1.6688 0.9765 1.8592 0.9616 1.0037 1.891 1.8122 0.962 0.9956 1.8542 1.9078 1.6234 1.6824 0.9621 1.8736 1.8909 0.974 1.9197 0.9762 0.9936 1.7537 1.7643 1.6857 0.9621 0.9928 1.8976 1.8636 0.9755 0.9742 1.6769 0.9724 0.9758 0.9968 0.9616 1.9151 0.9742 0.9759 0.9861 0.9788 1.7098 0.9814 0.961 1.7821 0.981 0.9737 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A68 A69 A70 A71 A72 A73 A74 19 19 40 12 5 5 5 8 8 25 7 7 7 9 9 31 2 2 2 11 11 15 2 2 3 12 15 15 15 16 16 33 10 18 18 18 19 19 22 21 21 22 10 17 9 9 24 4 13 13 13 27 27 28 16 16 30 17 3 3 3 33 33 34 4 36 36 37 14 8 8 39 6 1 1 1 1 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 14 14 14 15 17 17 17 17 17 17 20 20 20 21 22 23 23 23 25 26 26 26 26 26 26 29 29 29 30 32 32 32 32 32 32 34 35 35 35 36 38 38 38 41 42 40 42 42 32 8 25 34 25 34 34 9 31 41 31 41 41 11 15 21 15 21 21 3 13 13 26 16 33 36 33 36 36 14 19 22 30 22 30 30 22 27 27 20 20 24 25 25 23 27 28 42 28 42 42 30 31 31 29 33 34 40 34 40 40 32 37 39 39 35 39 41 41 38 26 111.0503 104.3785 104.325 155.211 107.4434 126.6042 125.6266 101.6094 101.6843 89.4407 106.6931 120.7823 118.4001 109.9583 100.3634 98.7337 106.996 101.8683 96.3735 121.2074 120.4072 105.4682 104.2734 107.9738 104.5928 158.8039 107.7298 102.6296 132.502 106.1756 107.4645 97.0729 160.4444 107.0886 120.7528 119.3338 95.9789 101.8464 107.3984 106.1164 108.6735 106.993 162.102 159.6655 114.4865 104.2937 105.3929 159.4153 96.0427 123.1884 94.8796 107.3802 98.538 129.8429 108.0181 110.1016 105.0064 164.2981 102.1593 134.8398 93.5046 107.5773 106.8085 109.0244 162.8712 106.5761 107.9115 122.6631 163.3319 113.5451 106.1623 106.6699 161.0433 151.0412 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 10 4 6 14 1 20 6 14 35 1 10 4 6 14 1 20 6 14 35 2 8 9 16 19 27 31 33 39 40 2 8 9 16 19 27 31 33 39 12 38 23 29 17 26 29 32 38 32 12 38 23 29 17 26 29 32 38 6 2 2 1 2 1 1 2 1 6 6 2 2 1 2 1 1 2 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.0973 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.0391 175.2685 175.1153 170.8266 170.3122 171.1812 169.9658 171.2581 179.9983 185.1416 188.4812 187.0022 186.1578 180.869 172.7632 176.138 172.665 182.6511 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 40 40 40 42 42 42 19 19 19 42 42 42 19 40 5 5 25 25 34 34 7 7 31 31 41 41 7 7 9 9 41 41 11 11 15 15 21 21 32 32 12 12 12 5 8 34 5 8 25 7 9 31 2 11 21 2 11 15 2 3 12 12 12 16 33 36 15 15 33 33 36 36 15 15 15 16 16 16 36 36 36 15 16 33 18 19 30 18 19 22 22 27 21 27 21 21 21 22 22 22 9 24 13 27 28 16 31 3 33 40 37 39 36 36 37 37 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 3 3 3 3 3 4 4 4 4 4 4 6 6 6 10 10 10 10 10 10 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 35 35 35 38 17 17 17 17 17 17 32 32 32 32 32 32 42 42 38 38 38 38 38 38 23 23 23 23 23 23 29 29 29 29 29 29 12 12 12 12 12 12 12 12 32 32 32 25 25 25 34 34 34 41 41 41 15 15 15 21 21 21 13 13 26 26 26 15 15 15 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 22 22 22 30 30 30 21 21 22 22 26 26 26 26 26 26 25 25 42 42 42 30 30 34 34 34 36 36 38 38 38 38 41 18 22 30 18 22 30 3 33 34 3 33 34 26 26 39 41 39 41 39 41 24 25 24 25 24 25 16 30 16 30 16 30 3 13 3 13 3 13 2 13 33 34 40 23 23 23 32 32 32 38 38 38 14 14 14 20 20 20 26 26 27 28 42 10 10 10 30 31 30 31 30 31 3 34 40 3 34 40 3 34 40 35 35 35 20 20 20 29 29 29 10 10 17 17 13 28 42 13 28 42 4 4 1 1 1 17 17 4 4 4 14 14 8 41 8 41 6 162.1178 -73.9521 33.946 -87.6597 36.2704 144.1685 99.8062 -4.2042 -120.1729 -12.7156 -116.726 127.3053 -59.4787 57.1472 -100.6194 144.8127 124.3327 9.7648 34.0476 -80.5203 -122.6182 124.3842 12.9488 -100.0488 114.1729 1.1754 -161.6665 85.2118 73.8678 -39.2538 -29.5795 -142.7011 -133.4029 117.5822 -4.0016 -113.0165 101.9115 -7.1034 -39.7253 73.5568 53.2999 -176.1638 -54.7327 -161.821 -39.5581 62.257 -164.8028 73.5428 -28.1983 -128.127 -12.6061 99.6756 29.2021 147.6615 -70.9262 -16.3882 -130.3786 87.8309 38.7444 -71.8836 -39.3277 -154.6793 59.8139 97.1908 -14.609 -126.7255 -44.5617 -157.3858 64.1558 -48.6683 165.2031 52.3791 -14.2266 -161.6474 80.7951 -125.4773 87.102 -30.4556 122.6534 -24.7673 -142.3249 162.3847 -61.4506 48.0198 111.6178 -2.3434 -106.7692 -140.2864 -22.7523 77.4579 -99.4427 15.3141 95.5006 -20.3985 1.3279 129.3432 -93.6408 113.3113 -118.6734 18.3426 29.6262 -91.2896 -58.6092 38.2629 159.5066 -39.3713 78.104 154.6479 -76.5515 38.9218 135.7024 2.2313 -62.3223 51.2767 173.9478 -72.4531 5.9715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) -0.0457215709 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7415,-1.3174,.3088;2.4102,-2.1873,.5247;1.2041,-2.3436,-1.1515;-1.0543,.8197,-3.1564;-1.1015,.7412,-4.1106;-1.8003,2.8852,-.0536;-2.4425,3.5626,.1651;-.6895,1.7364,-2.9504;-2.3171,2.1133,-.4114;2.7506,-1.6087,1.2648;3.6679,-1.8529,1.4003;1.6465,-3.0437,-.6395;.9185,-3.4976,-.182;1.8236,.8015,.148;2.3169,.101,.6123;1.2278,1.2437,.8147;-1.1669,-.3245,2.6876;-1.9639,-.2882,3.2195;-1.4356,-.6656,1.793;.6556,-2.479,2.9812;1.4703,-2.1533,2.5606;.0895,-1.6953,3.0811;-3.0506,.8371,-1.1497;-2.8796,.0173,-.6636;-2.5405,.7545,-1.9744;-.54,-3.7859,1.0317;-.1037,-3.3667,1.8232;-.795,-4.6723,1.2919;.1312,1.9769,1.7756;-.3251,1.2598,2.2481;-.5455,2.3721,1.1977;.2349,-.7472,-1.354;.8223,-.1126,-.8768;-.1338,-.2737,-2.1285;2.3753,2.8891,-1.5022;2.3373,2.1,-.9249;2.6375,3.6116,-.9298;-.1882,3.1284,-2.4163;.7559,3.0932,-2.1474;-.9931,-1.0933,-.3061;-.6921,3.2484,-1.5953;-1.6515,-2.2746,.4498; 0.000000 4.247373 0.000000 3.444176 2.070935 0.000000 4.128838 5.881760 4.373402 0.000000 4.917204 6.511065 4.856772 0.958600 0.000000 4.218656 6.617647 6.129666 3.801329 4.641587 0.000000 4.932224 7.532576 7.065053 4.525784 5.295281 0.958704 0.000000 4.588569 6.089339 4.844448 1.007872 1.583105 3.308299 4.014214 0.000000 3.552443 6.459021 5.728082 3.286784 4.128479 0.995495 1.564799 3.039305 0.000000 4.601949 0.999168 2.961452 6.318321 7.018221 6.530274 7.410846 6.386874 6.507294 0.000000 5.544397 1.568571 3.580934 7.085587 7.736065 7.380048 8.257785 7.127353 7.404981 0.958894 0.000000 3.918899 1.634647 0.973585 5.343635 5.824514 6.882974 7.810901 5.800541 6.508174 2.627648 3.108893 0.000000 3.474175 2.107445 1.533933 5.601580 6.122200 6.938916 7.827085 6.135487 6.481033 3.002897 3.573225 0.972204 0.000000 4.150414 3.069088 3.458993 4.381903 5.166709 4.185067 5.081660 4.097491 4.379374 2.813567 3.466423 3.929033 4.405725 0.000000 4.309901 2.291868 3.213349 5.107299 5.865236 5.014683 5.902141 4.940249 5.154789 1.880692 2.502762 3.450436 3.941588 0.974568 0.000000 3.953740 3.640555 4.090866 4.599672 5.471412 3.552196 4.389854 4.253784 3.850467 3.264605 3.985696 4.546563 4.854721 0.997449 1.591500 0.000000 2.641016 4.576456 4.943432 5.956043 6.881568 4.268232 4.806255 6.021822 4.107298 4.361242 5.231500 5.136038 4.759457 4.081753 4.077400 3.420757 0.000000 3.095338 5.477357 5.776415 6.535066 7.452127 4.561857 4.938352 6.617449 4.367556 5.271733 6.121691 5.959838 5.493561 4.996676 5.027389 4.279795 0.958870 0.000000 1.649618 4.326043 4.295821 5.181516 6.078107 4.018883 4.641329 5.368995 3.654971 4.323548 5.254544 4.590390 4.178855 3.934622 4.007959 3.420009 0.994473 1.567320 0.000000 3.773261 3.032831 4.171145 7.174654 7.984436 6.634529 7.350558 7.400219 6.437131 2.844703 3.459063 3.796081 3.333564 4.489272 3.876634 4.345072 2.837229 3.423241 3.012271 0.000000 4.010639 2.242639 3.726492 6.920726 7.713450 6.551186 7.329452 7.082792 6.432854 1.901266 2.503198 3.326326 3.103774 3.831049 3.097535 3.827089 3.211801 3.963173 3.353668 0.972977 0.000000 3.343826 3.487543 4.424664 6.822036 7.686091 5.863396 6.523846 6.983035 5.700466 3.223035 3.956642 4.252673 3.818826 4.224318 3.779350 3.882038 1.900683 2.493127 2.246249 0.971935 1.545103 0.000000 2.912522 6.463062 5.312223 2.830671 3.546204 2.638131 3.086591 3.102616 1.646775 6.742847 7.673172 6.114183 5.956486 5.044127 5.697137 4.725384 4.429754 4.640818 3.677724 6.465083 6.568691 5.845787 0.000000 2.005516 5.852666 4.742176 3.192121 3.945584 3.124404 3.667013 3.602920 2.184752 6.169367 7.115244 5.463964 5.197264 4.836640 5.351487 4.534276 3.778977 4.001287 2.930191 5.658065 5.833372 5.076526 0.968292 0.000000 3.185001 6.277698 4.929300 1.900118 2.575779 2.962645 3.531610 2.311496 2.083035 6.638769 7.532079 5.808537 5.766962 4.853053 5.541940 4.713663 4.978497 5.328816 4.175002 6.725263 6.716283 6.202970 0.973204 1.541615 0.000000 2.838904 3.393565 3.144560 6.246265 6.874069 6.875290 7.640072 6.809905 6.327772 3.952516 4.645333 2.850346 1.919276 5.235646 4.842094 5.335587 3.887973 4.364400 3.334320 2.634028 3.007354 2.994455 5.695002 4.776119 5.801159 0.000000 3.029101 3.065383 3.406714 6.574642 7.285635 6.744427 7.498985 7.012270 6.318467 3.398375 4.085983 3.038462 2.254549 4.888234 4.398914 4.903589 3.336565 3.858421 3.011780 1.644826 2.119751 2.100718 5.932469 5.033975 6.110986 0.996310 0.000000 3.621794 4.127582 3.922885 7.072227 7.654198 7.741884 8.473337 7.686305 7.159750 4.685844 5.279989 3.513309 2.547266 6.174805 5.738475 6.270385 4.581452 4.929760 4.088375 3.125453 3.617492 3.584097 6.434439 5.491926 6.570034 0.958347 1.569968 0.000000 4.063350 4.909035 5.327795 5.202715 6.139459 2.810988 3.425249 4.802681 3.285689 4.469734 5.226480 5.773585 5.866967 2.625723 3.106358 1.631977 2.795202 3.406589 3.072145 4.645818 4.412258 3.897609 4.469937 4.342114 4.763855 5.849183 5.348914 6.730733 0.000000 3.522649 4.725906 5.184600 5.471128 6.426822 3.180546 3.758363 5.232932 3.430658 4.319150 5.133377 5.544808 5.484921 3.039248 3.316451 2.113352 1.847110 2.454714 2.268846 3.934232 3.869188 3.098185 4.376296 4.067765 4.795039 5.194660 4.651218 6.026983 0.972443 0.000000 3.979089 5.475162 5.551400 4.650428 5.580909 1.844839 2.466200 4.198940 2.407215 5.168754 5.970329 6.124603 6.204843 3.030040 3.700590 2.136535 3.142877 3.629970 3.220951 5.306350 5.138172 4.527117 3.760592 3.802247 4.081491 6.160214 5.789665 7.049425 0.973723 1.545677 0.000000 2.645070 3.214864 1.878566 2.713993 3.405887 4.362051 5.296273 3.093752 3.947608 3.732161 4.538118 2.788702 3.066828 2.679252 2.986735 3.106852 4.298662 5.095343 3.563846 4.687255 4.339072 4.537663 3.653276 3.280385 3.216065 3.940250 4.131705 4.844348 4.150328 4.161286 4.104883 0.000000 3.070910 2.964859 2.280108 3.096256 3.858339 4.067229 5.025073 3.162877 3.876442 3.247093 4.038816 3.054015 3.456907 1.699566 2.120665 2.205706 4.087441 4.957192 3.540073 4.529077 4.049782 4.325230 3.996956 3.710223 3.642095 4.357914 4.328608 5.301867 3.446517 3.600664 3.513987 0.987620 0.000000 3.100749 4.144096 2.651291 1.760473 2.427966 4.130495 5.030669 2.241597 3.662344 4.649379 5.422164 3.613785 3.910204 3.189025 3.695752 3.580324 4.925952 5.652503 4.150491 5.621039 5.300383 5.404737 3.271037 3.125648 2.621685 4.742078 5.018327 5.611054 4.514061 4.641370 4.270021 0.979814 1.583253 0.000000 6.158193 5.466239 5.373695 4.333661 4.848189 4.419760 5.142463 3.580374 4.879619 5.294154 5.708102 6.039342 6.682434 2.717638 3.499754 3.064709 6.358416 7.156732 6.165891 7.202478 6.538506 6.873822 5.811737 6.046846 5.380072 7.712033 7.505929 8.662141 4.075787 4.900148 4.010996 4.222094 3.437043 4.085494 0.000000 5.462364 4.526338 4.591466 4.256899 4.880562 4.300581 5.115987 3.660090 4.682626 4.326710 4.775226 5.197719 5.822161 1.760935 2.521785 2.233898 5.586364 6.432674 5.410215 6.249248 5.566974 5.958625 5.538509 5.623264 5.167668 6.837439 6.587479 7.783894 3.489133 4.226281 3.590215 3.565197 2.681995 3.631719 0.978506 0.000000 6.708664 5.982909 6.129386 5.136311 5.686527 4.581458 5.196921 4.320689 5.202144 5.664068 6.029313 6.734976 7.352217 3.117825 3.847808 3.261599 6.561462 7.321114 6.503816 7.504704 6.839635 7.123510 6.332613 6.590025 6.005560 8.286596 7.986894 9.238054 4.034006 4.940363 4.024246 4.995195 4.143410 4.920664 0.958355 1.541171 0.000000 5.441037 6.607427 5.786334 2.574463 3.066483 2.870646 3.454596 1.572964 3.095576 6.680396 7.365448 6.679652 7.079588 4.004635 4.961195 3.999601 6.239465 6.825625 5.802539 7.828732 7.444284 7.319001 3.879241 4.471554 3.371123 7.734339 7.756749 8.658520 4.358894 5.026625 3.709548 4.040776 3.727602 3.414678 2.732083 3.108024 3.229202 0.000000 5.632409 6.145010 5.545481 3.076254 3.582670 3.310804 3.974628 2.138874 3.662962 6.142540 6.747656 6.381897 6.879523 3.414780 4.359650 3.523897 6.225409 6.901829 5.870161 7.573853 7.085375 7.121259 4.536007 4.987934 4.045480 7.688182 7.631203 8.633492 4.126296 4.883674 3.661070 3.955975 3.449055 3.482516 1.755152 2.232021 2.300431 0.982213 0.000000 0.994215 3.670105 2.665665 3.433297 4.225092 4.067444 4.899027 3.884807 3.470793 4.092531 5.021379 3.298860 3.074124 3.424987 3.636812 3.413240 3.095774 3.744434 2.187470 3.930028 3.925578 3.606635 2.944719 2.218071 2.931222 3.040529 3.239336 3.924510 3.876007 3.536547 3.804060 1.651038 2.140848 2.175164 5.351349 4.655290 5.975566 4.787909 4.896595 0.000000 5.057099 6.608029 5.921476 2.909752 3.574939 1.933140 2.502350 2.030345 2.308888 6.604894 7.348968 6.780351 7.078144 3.918543 4.882042 3.676058 5.597779 6.108031 5.230071 7.454205 7.150316 6.849904 3.402376 4.011670 3.127323 7.510385 7.469440 8.431156 3.695626 4.342933 2.930935 4.108842 3.755781 3.605715 3.089776 3.308369 3.414843 0.970752 1.557394 4.539120 0.000000 0.971701 4.063351 3.274651 4.789153 5.494978 5.186479 5.897466 5.345544 4.520894 4.526176 5.420140 3.557337 2.915463 4.650833 4.628035 4.560927 3.007660 3.422753 2.107082 3.431183 3.770434 3.207919 3.768071 2.828510 3.980253 1.964156 2.339827 2.681704 4.796977 4.181558 4.834740 3.024104 3.543156 3.599259 6.833007 6.077623 7.412655 6.288783 6.430772 1.549294 5.967178 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9481,-1.9299,-.4802;2.5355,2.0065,-.6394;1.5882,.9967,-2.1794;-2.5017,-.549,-2.2799;-2.9348,-.4936,-3.1333;-2.7737,-1.3627,1.4233;-3.345,-1.9261,1.948;-3.0991,-.0877,-1.612;-2.4031,-1.9356,.6985;2.4918,2.3339,.3036;2.9313,3.1861,.3157;2.5181,1.2743,-2.1008;3.003,.4416,-1.9713;-.2705,1.8882,.5982;.6445,2.2214,.6375;-.4058,1.2849,1.3809;1.4413,-1.5082,2.0799;1.5408,-2.3496,2.5287;1.2193,-1.7141,1.1326;3.7271,-.0492,1.2454;3.3843,.8466,1.0822;3.0193,-.5091,1.7272;-1.844,-2.7465,-.6213;-.8758,-2.7492,-.6352;-2.1069,-2.159,-1.3513;3.6062,-1.1758,-1.1325;3.7399,-.7821,-.2271;4.4375,-1.58,-1.3853;-.7242,.1948,2.5529;.038,-.409,2.564;-1.4745,-.3477,2.2512;-.0292,.2888,-1.5378;-.2106,.8979,-.7818;-.8908,.0833,-1.9567;-2.7703,2.9147,.3107;-1.8186,2.6998,.3847;-3.035,3.2051,1.1848;-3.902,.5351,-.4113;-3.5644,1.4268,-.1751;.5788,-1.0904,-.8638;-3.6713,-.0407,.3355;1.8396,-1.9907,-.862; 0.4230233 0.2486703 0.2327781 -19.14486 -19.14071 -19.13993 -19.13890 -19.13643 -19.13203 -19.12873 -19.12510 -19.12491 -19.12393 -19.12393 -19.12174 -19.11615 -19.11592 -1.04513 -1.03842 -1.03645 -1.03113 -1.03012 -1.02455 -1.02401 -1.01647 -1.01456 -1.01147 -1.00890 -1.00240 -0.99834 -0.99513 -0.56240 -0.56140 -0.55838 -0.55730 -0.55432 -0.54792 -0.54648 -0.54560 -0.53652 -0.53557 -0.53529 -0.53236 -0.52987 -0.52874 -0.46281 -0.44994 -0.44147 -0.43004 -0.42495 -0.42381 -0.41189 -0.40712 -0.40130 -0.39566 -0.38855 -0.38606 -0.37806 -0.36221 -0.34380 -0.34050 -0.34008 -0.33790 -0.33724 -0.33279 -0.33048 -0.32765 -0.32646 -0.32307 -0.32104 -0.31990 -0.31671 -0.31449 -0.01316 0.01078 0.01983 0.02581 0.03565 0.03849 0.06238 0.07309 0.07885 0.08920 0.09373 0.09858 0.10051 0.10561 0.11219 0.11603 0.11820 0.12840 0.13295 0.13716 0.14161 0.14403 0.15061 0.15419 0.16035 0.16774 0.17197 0.17659 0.17966 0.18489 0.19261 0.19471 0.19960 0.20445 0.20697 0.21048 0.21516 0.21944 0.22287 0.22978 0.23121 0.23199 0.23584 0.23999 0.24664 0.24884 0.25169 0.25474 0.25952 0.26104 0.26553 0.26786 0.26949 0.27043 0.27548 0.27773 0.28373 0.29042 0.29226 0.29656 0.29937 0.30136 0.30792 0.30959 0.31991 0.32027 0.32246 0.32935 0.34882 0.36760 0.38149 0.39319 0.40174 0.42458 0.43078 0.44384 0.45072 0.45555 0.46034 0.46678 0.48110 0.49209 0.50276 0.50782 0.51816 0.52817 0.53189 0.53943 0.54617 0.55075 0.55843 0.56377 0.57071 0.57708 0.58140 0.58670 0.59451 0.60817 0.61422 0.61867 0.62353 0.62840 0.63407 0.64325 0.64881 0.65887 0.66876 0.68108 0.68555 0.70034 0.70438 0.71565 0.91825 0.92359 0.94209 0.95067 0.95138 0.96050 0.97049 0.97707 0.98142 0.98553 1.00289 1.01151 1.01217 1.02191 1.02625 1.03505 1.03724 1.03941 1.04412 1.04672 1.05337 1.06072 1.06314 1.06650 1.07620 1.07904 1.08242 1.08778 1.09939 1.10359 1.10930 1.11541 1.12231 1.12522 1.12943 1.13723 1.14220 1.14945 1.15777 1.17929 1.19621 1.21105 1.22498 1.22945 1.24332 1.26059 1.27124 1.28342 1.29285 1.29532 1.30263 1.30844 1.31703 1.32191 1.32315 1.33813 1.34805 1.36646 1.37044 1.37587 1.38211 1.38780 1.39361 1.39657 1.41385 1.42233 1.42966 1.44630 1.45118 1.46249 1.46711 1.47200 1.48494 1.49452 1.50233 1.50338 1.51464 1.52528 1.53217 1.53855 1.54022 1.55930 1.56907 1.57642 1.58755 1.59787 1.60286 1.61950 1.63679 1.64160 1.64562 1.66952 1.69064 1.69709 1.70924 1.71802 1.72405 1.73042 1.73890 1.74549 1.75231 1.75886 1.77280 1.78196 1.78983 1.79385 1.80470 1.82009 1.83912 1.85043 1.86569 1.88331 2.01756 2.02477 2.02924 2.03426 2.03764 2.05026 2.16890 2.18424 2.22170 2.22421 2.23455 2.23802 2.24723 2.27548 2.27911 2.29004 2.31388 2.31570 2.34179 2.37054 2.38497 2.40269 2.41007 2.43401 2.43960 2.47161 2.47261 2.50880 2.51566 2.52005 2.54103 2.54327 2.55016 2.58120 2.65321 2.66698 2.67583 2.68341 2.69400 2.69684 2.70915 2.71386 2.72509 2.73578 2.74533 2.76195 2.77267 2.79156 2.80787 2.82006 2.82783 2.83911 2.87758 2.90189 2.90755 2.94607 3.05004 3.06391 3.06788 3.07160 3.07377 3.07991 3.09939 3.10882 3.11459 3.11856 3.12196 3.12358 3.13500 3.13644 3.14372 3.14893 3.14977 3.15980 3.16385 3.17023 3.17313 3.18802 3.19661 3.21085 3.21243 3.22012 3.22763 3.23724 3.28211 3.29663 3.30291 3.30350 3.30809 3.31560 3.32600 3.33059 3.33505 3.34084 3.34660 3.35397 3.36191 3.39614 3.65598 3.66212 3.67129 3.68467 3.68770 3.70996 3.72052 3.74659 3.75397 3.75732 3.76579 3.77990 3.79188 3.80968 3.89742 3.90743 3.90947 3.91365 3.91726 3.92292 3.92685 3.93487 3.93647 3.94475 3.95290 3.96977 3.98701 4.00435 4.99350 5.01168 5.01559 5.01700 5.02009 5.02872 5.03108 5.03639 5.04388 5.05583 5.06539 5.10183 5.12637 5.14356 5.38018 5.38290 5.39511 5.40217 5.41043 5.41976 5.43643 5.44741 5.46088 5.46797 5.49196 5.52003 5.53395 5.55128 5.65830 5.66336 5.66853 5.67237 5.67883 5.68749 5.69532 5.70645 5.70823 5.71888 5.72353 5.74241 5.75207 5.75957 49.88195 49.89383 49.90100 49.91003 49.91375 49.91980 49.93032 49.93548 49.94633 49.95358 49.95394 49.96559 49.97173 49.98965 1-A. 1.2751 -1.8930 0.8185 2.4247 -92.5843 -88.7223 -91.8332 0.0072 -4.1893 0.0605 -1.5377 2.3243 -0.7866 0.0072 -4.1893 0.0605 40.3295 23.2976 -23.3413 46.3746 -30.9886 -4.3547 -44.9257 -33.8606 48.5995 7.8300 -3529.3543 -1565.3890 -1251.8292 2.3430 -260.6416 26.5921 -1.5500 124.4049 -17.2920 -709.9674 -692.4153 -416.5761 70.9934 -54.2661 -42.2230 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; 0.000000 4.280859 0.000000 3.377631 2.131158 0.000000 4.172584 6.010266 4.412195 0.000000 4.967004 6.667172 4.933051 0.961560 0.000000 4.311223 6.724930 6.160133 3.866062 4.695905 0.000000 5.028332 7.643123 7.096032 4.583311 5.338467 0.962023 0.000000 4.619203 6.188529 4.854512 1.003664 1.584465 3.365271 4.070590 0.000000 3.621488 6.543093 5.736575 3.348127 4.183328 0.995621 1.570668 3.089344 0.000000 4.647211 0.998849 3.009859 6.448215 7.172105 6.638372 7.523880 6.490473 6.588911 0.000000 5.590784 1.576440 3.656420 7.233816 7.912217 7.497433 8.379834 7.250926 7.495425 0.962109 0.000000 3.837165 1.668761 0.976496 5.384477 5.903121 6.909786 7.838034 5.814750 6.510003 2.655793 3.170683 0.000000 3.396437 2.176331 1.543165 5.639849 6.190851 6.978883 7.865963 6.151215 6.492731 3.067019 3.657377 0.973951 0.000000 4.220538 3.081933 3.480347 4.542707 5.342943 4.301136 5.201827 4.236773 4.476078 2.812562 3.475009 3.930038 4.436406 0.000000 4.357510 2.297372 3.242627 5.257830 6.036706 5.122553 6.014619 5.069153 5.237563 1.873616 2.510798 3.456187 3.974449 0.976211 0.000000 4.017114 3.652420 4.085692 4.727662 5.608938 3.658475 4.503084 4.365487 3.928188 3.271946 4.000860 4.526032 4.864277 0.993626 1.590930 0.000000 2.687043 4.714933 4.997453 6.034005 6.964889 4.294125 4.823359 6.085149 4.090405 4.514659 5.383573 5.181125 4.816041 4.194442 4.192977 3.520738 0.000000 3.178171 5.620652 5.839857 6.620262 7.538541 4.598953 4.964395 6.689142 4.366194 5.427090 6.274412 6.013446 5.559657 5.116360 5.145457 4.389793 0.962062 0.000000 1.702309 4.469480 4.352422 5.267333 6.169348 4.063761 4.675118 5.439550 3.658316 4.475532 5.404648 4.633693 4.228605 4.067508 4.135689 3.534416 0.992834 1.572462 0.000000 3.693027 3.014925 4.119267 7.155306 7.986364 6.583603 7.305004 7.352637 6.355979 2.835119 3.468658 3.745968 3.321649 4.395706 3.784823 4.240153 2.831376 3.451698 2.985938 0.000000 3.966034 2.234413 3.707239 6.933106 7.750126 6.521612 7.305123 7.062773 6.377530 1.890917 2.518499 3.311566 3.136517 3.730214 2.995962 3.716849 3.252394 4.024448 3.382511 0.975516 0.000000 3.311379 3.524607 4.410910 6.831302 7.713019 5.823483 6.487321 6.963438 5.631798 3.265927 4.006991 4.240062 3.842707 4.170712 3.732873 3.809634 1.897571 2.528499 2.231361 0.974206 1.558309 0.000000 2.851366 6.437679 5.201458 2.825358 3.553362 2.671346 3.146022 3.098836 1.682418 6.719554 7.659123 5.994212 5.838449 5.062949 5.689536 4.727730 4.330309 4.573107 3.577804 6.288676 6.422147 5.695170 0.000000 1.939476 5.829871 4.631615 3.220854 3.982314 3.202839 3.762295 3.627774 2.265465 6.151572 7.103964 5.339846 5.072668 4.868824 5.352268 4.553836 3.697392 3.958083 2.840403 5.489728 5.698219 4.939538 0.972424 0.000000 3.140851 6.281676 4.839515 1.890999 2.582427 3.018850 3.602451 2.312379 2.143181 6.646871 7.552194 5.714076 5.672307 4.908075 5.572068 4.750406 4.932122 5.307141 4.130999 6.582466 6.604066 6.091073 0.975751 1.549650 0.000000 2.808412 3.468865 3.166386 6.313734 6.960994 6.947247 7.709554 6.857453 6.370626 4.031801 4.725185 2.849638 1.919735 5.300297 4.896442 5.383855 3.948840 4.440390 3.387214 2.660159 3.074546 3.058390 5.613466 4.686804 5.744885 0.000000 2.994873 3.127783 3.416263 6.636962 7.366726 6.803570 7.557379 7.054624 6.344535 3.471123 4.158835 3.027791 2.254313 4.931541 4.434864 4.934104 3.397817 3.934974 3.059297 1.676875 2.193408 2.171602 5.836462 4.932557 6.045086 0.996823 0.000000 3.588370 4.212814 3.964352 7.136831 7.739109 7.805975 8.532666 7.731929 7.194532 4.773691 5.370451 3.540424 2.575114 6.242846 5.797239 6.319772 4.625365 4.985513 4.120784 3.186325 3.712592 3.663374 6.348105 5.397500 6.509269 0.961639 1.578318 0.000000 4.082411 4.961934 5.315241 5.259043 6.201012 2.821178 3.449506 4.850806 3.255188 4.535362 5.304245 5.755899 5.867089 2.673463 3.161280 1.685655 2.813789 3.438582 3.093960 4.549186 4.332309 3.806558 4.393388 4.292960 4.729225 5.871083 5.363002 6.748759 0.000000 3.548992 4.816142 5.196996 5.527952 6.488423 3.179743 3.761863 5.278140 3.386873 4.426283 5.248129 5.552370 5.508241 3.116594 3.401916 2.192348 1.863566 2.480944 2.284351 3.869082 3.831752 3.031243 4.278307 3.998334 4.745470 5.233129 4.685376 6.058422 0.974198 0.000000 4.038925 5.553942 5.560473 4.714992 5.645150 1.854249 2.487885 4.253005 2.385329 5.254186 6.064862 6.129314 6.227689 3.108378 3.778783 2.219168 3.173787 3.674247 3.264158 5.234389 5.083333 4.463375 3.720582 3.801403 4.079128 6.211786 5.831101 7.095437 0.975947 1.547220 0.000000 2.700151 3.277865 1.859165 2.762664 3.474143 4.429268 5.366494 3.097752 4.007957 3.790248 4.604873 2.776043 3.089762 2.725176 3.034714 3.136103 4.412674 5.225811 3.697645 4.657760 4.323853 4.550975 3.616645 3.270713 3.185269 4.029105 4.203183 4.939014 4.166258 4.211678 4.145759 0.000000 3.140551 3.037527 2.280602 3.160014 3.935966 4.142001 5.103370 3.185936 3.939064 3.318395 4.117389 3.057384 3.497658 1.753750 2.185701 2.243619 4.227603 5.107894 3.697536 4.507057 4.036885 4.345352 3.966472 3.709189 3.624403 4.457113 4.415939 5.405799 3.484044 3.678969 3.570848 0.986083 0.000000 3.148172 4.213568 2.642136 1.812192 2.497737 4.200286 5.102087 2.242338 3.730993 4.715285 5.500015 3.608541 3.925416 3.264395 3.766590 3.632676 5.020332 5.763480 4.261601 5.582467 5.280442 5.404840 3.254026 3.137653 2.606342 4.813590 5.074891 5.687715 4.534901 4.685658 4.313213 0.978805 1.585363 0.000000 6.166918 5.407021 5.254778 4.351669 4.867071 4.573808 5.327692 3.618776 4.987329 5.261390 5.690051 5.923881 6.599729 2.719121 3.507179 3.120715 6.481293 7.298651 6.277009 7.107570 6.439453 6.829530 5.822983 6.061650 5.391720 7.697871 7.496460 8.651513 4.216375 5.032600 4.159097 4.093529 3.313893 3.975366 0.000000 5.515698 4.501878 4.553905 4.384825 5.020255 4.450072 5.280944 3.791661 4.804609 4.305246 4.764196 5.150970 5.806054 1.764302 2.528441 2.269865 5.707857 6.567632 5.539123 6.159248 5.470263 5.913049 5.581841 5.672911 5.232978 6.872531 6.611470 7.823462 3.590597 4.334719 3.710598 3.528487 2.636356 3.631962 0.981447 0.000000 6.947086 5.958671 6.056222 5.266435 5.769474 5.061300 5.726378 4.479867 5.609477 5.680713 6.010868 6.653393 7.345156 3.232505 3.933613 3.534619 6.975792 7.775596 6.887179 7.591995 6.886203 7.299384 6.604961 6.861740 6.236077 8.425368 8.143191 9.377452 4.507910 5.393591 4.519187 4.983180 4.145361 4.919206 0.960959 1.557180 0.000000 5.425761 6.609702 5.736805 2.615958 3.134136 2.846262 3.456265 1.623383 3.082383 6.676965 7.382766 6.629000 7.037428 4.014785 4.971369 3.984290 6.211555 6.811433 5.792945 7.678669 7.311206 7.190706 3.874128 4.478639 3.394765 7.722499 7.726485 8.648485 4.295979 4.965465 3.650632 3.975793 3.652025 3.372189 2.755065 3.155861 3.404537 0.000000 5.639187 6.155745 5.509264 3.135932 3.661927 3.335713 4.020177 2.206800 3.685998 6.150659 6.776526 6.345730 6.856422 3.432650 4.383227 3.525430 6.245821 6.935019 5.905721 7.451061 6.974271 7.024196 4.538336 5.003661 4.072973 7.699243 7.627105 8.647712 4.110325 4.873263 3.651169 3.895752 3.378426 3.444460 1.782099 2.283625 2.438813 0.980965 0.000000 0.990816 3.703906 2.601643 3.497832 4.300969 4.155869 4.988857 3.926617 3.540312 4.132572 5.066652 3.224422 3.010150 3.492243 3.683039 3.465632 3.148429 3.823006 2.256377 3.838541 3.866100 3.562364 2.887129 2.162312 2.893967 3.033617 3.220137 3.918812 3.886262 3.558767 3.854468 1.709800 2.207005 2.229920 5.335108 4.695117 6.153927 4.772847 4.899673 0.000000 5.064556 6.616237 5.881628 2.983068 3.661688 1.907779 2.512164 2.112664 2.305267 6.604844 7.365192 6.735080 7.044208 3.931023 4.890542 3.662614 5.560874 6.087251 5.216767 7.303067 7.014924 6.716559 3.425816 4.047004 3.185791 7.507805 7.445054 8.428251 3.616715 4.266392 2.855195 4.075688 3.709963 3.600752 3.160426 3.373447 3.720299 0.973661 1.567890 4.545210 0.000000 0.975268 4.081880 3.212492 4.848359 5.565074 5.280661 5.995467 5.386409 4.595245 4.554136 5.446520 3.468954 2.824616 4.705223 4.657865 4.607546 3.056234 3.508601 2.161840 3.358556 3.733371 3.191970 3.726205 2.782417 3.952080 1.915101 2.286506 2.636698 4.810268 4.205970 4.890896 3.091953 3.616050 3.659787 6.820230 6.111929 7.604206 6.279817 6.437990 1.552751 5.978835 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9826,-1.8796,-.6363;2.5525,2.101,-.5098;1.5498,1.1078,-2.1067;-2.562,-.4764,-2.3325;-3.0242,-.4015,-3.1723;-2.8036,-1.4948,1.3892;-3.3674,-2.1038,1.8758;-3.1405,-.0504,-1.6316;-2.4045,-2.0126,.6383;2.5091,2.3731,.4502;2.9622,3.2187,.5236;2.4845,1.3732,-2.01;2.9742,.5329,-1.9589;-.2466,1.9069,.7651;.6773,2.2188,.8121;-.3792,1.2431,1.4924;1.4394,-1.7273,2.0072;1.5437,-2.5952,2.409;1.2281,-1.8733,1.0482;3.6308,-.1102,1.2331;3.2954,.802,1.1495;2.9431,-.6085,1.7103;-1.7512,-2.68,-.7611;-.7794,-2.6744,-.7946;-2.0384,-2.077,-1.4724;3.6209,-1.1202,-1.2278;3.7484,-.7815,-.299;4.4476,-1.5287,-1.5006;-.7163,-.0087,2.5698;.0299,-.6346,2.5476;-1.4857,-.5217,2.2578;-.0833,.437,-1.5238;-.2691,.999,-.7352;-.94,.2372,-1.9529;-2.7187,2.9558,.3382;-1.7788,2.7499,.5318;-3.0179,3.5493,1.0322;-3.8653,.5337,-.3016;-3.548,1.4249,-.0419;.6024,-1.0179,-.9438;-3.6272,-.07,.4242;1.8825,-1.8941,-1.0121; 0.4125168 0.2500812 0.2321082 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.64D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. 1 5.01653708e-01 -7.44779576e-01 3.22030365e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 -0.001829904 0.001746895 -0.000719082 0.001005492 -0.001214530 -0.001001077 -0.001811976 0.001506379 -0.002032285 -0.001856830 -0.001134864 0.001784352 -0.000384208 -0.000424232 -0.003263591 0.004204347 0.000326278 -0.000780283 -0.002351564 0.002547442 0.001138125 0.000231530 0.000281049 -0.001390555 -0.001706298 -0.000402576 0.000067081 -0.002514278 0.002040746 0.001390101 0.003474409 -0.000540233 0.000769795 0.001493651 -0.000175821 0.000329388 -0.002493657 -0.001703207 0.000408266 0.000787902 0.000135161 -0.001198002 0.001066070 -0.001063425 0.001326658 0.000855552 -0.000010483 0.000629840 0.003825581 0.000280874 0.001155471 -0.002759171 0.000459389 0.002091032 -0.001663481 -0.000406397 -0.000949731 -0.000349980 -0.001599189 -0.000150650 0.002856768 0.001620723 -0.000446778 -0.001327741 0.002921265 0.001080120 -0.000657565 0.001564709 0.000495791 0.000281696 -0.003810844 0.001908857 0.001253085 -0.001173155 -0.002778854 -0.000116502 0.002322091 -0.003612086 0.000189785 -0.000784144 0.001976573 -0.001215171 -0.003253762 0.000674417 0.002140685 0.001365868 0.000290572 -0.001735668 -0.001630510 0.001740578 -0.002403318 0.001339646 -0.001118510 0.000929894 -0.001882181 -0.000514511 0.000862534 0.001177575 -0.000406985 -0.000174354 0.000406264 -0.000630414 -0.001513530 0.000004032 -0.003534773 0.000530413 -0.002242549 0.002155294 0.002251835 0.002725031 0.001773724 -0.000064565 0.000386563 -0.001158233 0.001504488 0.000719514 0.000173250 0.000194975 -0.000746737 -0.000944289 -0.001350980 0.000944862 0.002991034 0.000340048 -0.002623516 0.000280372 0.004204347 0.001646150 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1070.69555289019 -1070.69555317763 -0.000000287441 -1070.69555317289 0.000000004740 -1070.69555318490 -0.000000012014 -1070.69555318509 -0.000000000187 -1070.69555318507 0.000000000020 -1070.69555319 6 1.067239951920e+03 -5.127289088169e+03 1.692085122876e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT22627.700S Tue Nov 5 01:23:28 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.745810 0.414328 0.327845 -0.800532 0.308782 -0.735185 0.286788 0.432565 0.400306 -0.760669 0.299453 -0.615134 0.347436 -0.818720 0.387927 0.421755 -0.751054 0.290140 0.421768 -0.652479 0.358225 0.339791 -0.625199 0.332415 0.339404 -0.762503 0.404743 0.305176 -0.685976 0.364523 0.368982 -0.842929 0.409234 0.431584 -0.663194 0.382955 0.260983 -0.706861 0.433581 0.400485 0.332506 0.362564 -0.00000 -19.14674 -19.14187 -19.14146 -19.13945 -19.13586 -19.13181 -19.12604 -19.12270 -19.12267 -19.12230 -19.12194 -19.11901 -19.11196 -19.11094 -1.04270 -1.03482 -1.03373 -1.02991 -1.02751 -1.02158 -1.01945 -1.01244 -1.00917 -1.00696 -1.00587 -0.99944 -0.99344 -0.99315 -0.56271 -0.56088 -0.55813 -0.55640 -0.55250 -0.54565 -0.54535 -0.54322 -0.53447 -0.53337 -0.52988 -0.52709 -0.52643 -0.52484 -0.45996 -0.44524 -0.43869 -0.42551 -0.42365 -0.41985 -0.40908 -0.40297 -0.39932 -0.39124 -0.38501 -0.38209 -0.37320 -0.35942 -0.34424 -0.34148 -0.33987 -0.33547 -0.33514 -0.33194 -0.33020 -0.32600 -0.32180 -0.32041 -0.31809 -0.31702 -0.31209 -0.31025 -0.01225 0.01207 0.01914 0.02560 0.03584 0.03895 0.06273 0.07304 0.07846 0.08938 0.09589 0.09744 0.10052 0.10824 0.11141 0.11543 0.11947 0.12735 0.13613 0.13922 0.14433 0.14745 0.15228 0.15714 0.16144 0.16640 0.17216 0.17743 0.18014 0.18476 0.19026 0.19394 0.19781 0.20530 0.20822 0.21197 0.21686 0.21909 0.22508 0.22915 0.23118 0.23243 0.23601 0.23858 0.24625 0.24964 0.25368 0.25697 0.25933 0.26250 0.26408 0.26653 0.26890 0.27221 0.27406 0.27514 0.28277 0.28807 0.29039 0.29298 0.29432 0.29635 0.30732 0.30979 0.31463 0.31746 0.32374 0.33544 0.34797 0.34972 0.37161 0.38875 0.40422 0.42043 0.43207 0.43735 0.44598 0.45338 0.45882 0.46245 0.48439 0.49683 0.50212 0.50803 0.51429 0.52683 0.53432 0.53952 0.54839 0.55307 0.55907 0.56293 0.57170 0.58064 0.58191 0.59157 0.59421 0.60201 0.61574 0.62141 0.62360 0.62974 0.63476 0.64627 0.64703 0.65232 0.65819 0.67309 0.67784 0.70411 0.70722 0.71627 0.92034 0.92960 0.94322 0.94899 0.95163 0.96328 0.97958 0.98078 0.98423 0.99233 1.00821 1.01855 1.02124 1.02360 1.02784 1.03353 1.03508 1.04048 1.04442 1.04715 1.04830 1.05614 1.05922 1.06394 1.07476 1.07717 1.07869 1.08844 1.09419 1.09807 1.10253 1.10814 1.11556 1.12395 1.12693 1.13108 1.13845 1.14443 1.16151 1.18097 1.19401 1.20435 1.23251 1.24588 1.25642 1.26254 1.27409 1.28948 1.29148 1.29746 1.30534 1.31146 1.31616 1.32350 1.33525 1.33868 1.34954 1.36464 1.37354 1.37747 1.38099 1.38530 1.39102 1.39725 1.41507 1.42221 1.43061 1.43806 1.45149 1.45452 1.45725 1.46609 1.47384 1.48315 1.48858 1.49116 1.51092 1.51380 1.52114 1.52891 1.53540 1.55222 1.56262 1.56947 1.59046 1.59878 1.60154 1.62229 1.63731 1.64142 1.64507 1.66842 1.68573 1.70406 1.71405 1.71746 1.73021 1.73537 1.73927 1.74726 1.75227 1.76469 1.77553 1.78394 1.79263 1.79750 1.81017 1.82805 1.84200 1.85225 1.86710 1.88551 2.01238 2.02148 2.02531 2.03297 2.03343 2.04519 2.17356 2.18402 2.21129 2.22483 2.23800 2.25025 2.25628 2.27507 2.27892 2.29814 2.30992 2.32267 2.34037 2.35117 2.36354 2.37654 2.38091 2.40641 2.41120 2.43494 2.44221 2.47317 2.49960 2.50566 2.51512 2.52802 2.53428 2.54871 2.63251 2.64764 2.65031 2.66545 2.67924 2.69395 2.69753 2.70005 2.71232 2.72646 2.73588 2.74572 2.76032 2.76998 2.78523 2.80227 2.81682 2.83146 2.86500 2.89482 2.89621 2.92889 3.05000 3.06408 3.06923 3.07252 3.07545 3.07715 3.09907 3.10943 3.11360 3.11675 3.11985 3.12382 3.13274 3.13934 3.14729 3.15206 3.15533 3.16031 3.16383 3.17050 3.17760 3.18808 3.19844 3.20530 3.21173 3.22120 3.22603 3.22993 3.27789 3.29447 3.29762 3.30023 3.30867 3.31406 3.32452 3.32819 3.33038 3.33660 3.34361 3.34763 3.35309 3.38833 3.66717 3.67472 3.68110 3.69305 3.69688 3.72077 3.72665 3.74372 3.74784 3.75089 3.76094 3.76801 3.78425 3.79707 3.89677 3.90446 3.90838 3.90964 3.91368 3.91850 3.92123 3.92480 3.93446 3.93602 3.94626 3.95921 3.97359 4.00074 4.98721 5.00443 5.01083 5.01444 5.02027 5.03129 5.03243 5.03770 5.04198 5.05000 5.05838 5.10871 5.12406 5.13779 5.36934 5.37855 5.39610 5.40011 5.40691 5.41383 5.42732 5.43361 5.45356 5.46857 5.47447 5.51148 5.53020 5.55123 5.64468 5.64912 5.65488 5.65960 5.66099 5.66748 5.68217 5.69311 5.69631 5.70852 5.72464 5.73618 5.74526 5.75699 49.87664 49.89217 49.89588 49.91055 49.91064 49.91473 49.92999 49.93163 49.94296 49.94821 49.95562 49.96326 49.96627 49.97800 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.737472 0.407249 0.329645 -0.774864 0.311165 -0.727429 0.289150 0.413475 0.393906 -0.753620 0.304339 -0.624864 0.346130 -0.802837 0.390931 0.409412 -0.725341 0.291402 0.395394 -0.655062 0.360091 0.338409 -0.635305 0.333833 0.340582 -0.750857 0.391990 0.310278 -0.676861 0.354218 0.362642 -0.821227 0.398086 0.426594 -0.676687 0.381175 0.274425 -0.699731 0.410756 0.379400 0.340655 0.376830 -0.00000 5.70507264e-01 -5.84077192e-01 2.54590818e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4501 -1.4846 0.6471 2.1738 -90.2348 -83.4255 -92.6121 -1.7451 -3.1451 0.5500 -1.4774 5.3320 -3.8546 -1.7451 -3.1451 0.5500 42.4065 35.5997 -30.9279 32.1575 -25.3549 -10.9636 -39.9627 -31.4724 59.5594 12.7285 -3426.6677 -1492.8243 -1273.2406 -9.0219 -231.8070 -30.5208 5.3962 127.1426 -13.3246 -653.9055 -676.2553 -429.8701 73.7458 -57.9915 -39.8554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.6955532 6.982E-9 8.012E-6 3.2937114,0.8435834,-4.1372949,1.6653724,-1.6605324,-0.1249733 C01 [X(H28O14)] -0.449437 -0.4074552 0.6028498 -0.000003440 -0.000000434 0.000013356 -0.000000739 -0.000006128 -0.000005346 -0.000000181 -0.000004480 0.000005998 0.000001616 -0.000015281 0.000006182 0.000007145 0.000004671 -0.000005697 0.000024531 0.000006526 0.000011313 -0.000007557 -0.000002329 0.000003859 0.000001930 0.000006275 -0.000000172 -0.000005549 -0.000003066 -0.000004359 -0.000005652 0.000020635 -0.000002148 0.000002433 -0.000004259 0.000003771 0.000002062 -0.000000728 -0.000008428 0.000007147 0.000004916 0.000003942 -0.000003155 0.000002399 0.000010298 0.000016898 -0.000002711 -0.000008280 -0.000003837 -0.000003368 0.000000749 0.000003008 0.000011060 0.000004207 -0.000003593 0.000004885 -0.000000213 -0.000002795 -0.000015850 -0.000015625 0.000011241 0.000014045 0.000018708 -0.000007924 -0.000015916 0.000002255 -0.000006414 -0.000008774 -0.000010364 -0.000000955 0.000008974 -0.000006546 0.000005034 -0.000003295 0.000007695 -0.000000451 -0.000006775 0.000000336 -0.000010286 -0.000006152 -0.000000073 -0.000003974 -0.000003529 -0.000004418 0.000007721 -0.000005534 0.000005825 0.000011761 -0.000000776 0.000001922 -0.000003438 -0.000000084 0.000000077 -0.000018712 0.000006007 -0.000007291 0.000001321 0.000001294 0.000000014 -0.000008390 -0.000002245 -0.000003169 -0.000005352 0.000011817 -0.000011529 0.000005489 0.000007249 -0.000000361 0.000002787 0.000002746 0.000008215 0.000010016 -0.000005996 0.000001648 0.000015282 0.000003102 0.000005840 -0.000023162 -0.000005791 -0.000008232 0.000001994 0.000000654 0.000005572 -0.000012794 -0.000005669 -0.000008053 -0.000001065 0.000011912 -0.000011479 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; Gaussian 16 GINC-GARGANTILLA LAMSABHI Optimization 14H2O CONF7 gas EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; Optimization 14H2O CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF7/opt-b3lyp.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 1 2 2 3 3 4 4 4 4 6 6 6 6 8 9 10 10 10 12 13 14 14 14 14 16 17 17 17 17 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 38 38 19 40 42 10 12 12 32 5 8 25 34 7 9 31 41 38 23 11 15 21 13 26 15 16 33 36 29 18 19 22 30 21 22 27 24 25 27 28 42 30 31 33 34 40 36 37 39 39 41 1.7023 0.9908 0.9753 0.9988 1.6688 0.9765 1.8592 0.9616 1.0037 1.891 1.8122 0.962 0.9956 1.8542 1.9078 1.6234 1.6824 0.9621 1.8736 1.8909 0.974 1.9197 0.9762 0.9936 1.7537 1.7643 1.6857 0.9621 0.9928 1.8976 1.8636 0.9755 0.9742 1.6769 0.9724 0.9758 0.9968 0.9616 1.9151 0.9742 0.9759 0.9861 0.9788 1.7098 0.9814 0.961 1.7821 0.981 0.9737 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A68 A69 A70 A71 A72 A73 A74 19 19 40 12 5 5 5 8 8 25 7 7 7 9 9 31 2 2 2 11 11 15 2 2 3 12 15 15 15 16 16 33 10 18 18 18 19 19 22 21 21 22 10 17 9 9 24 4 13 13 13 27 27 28 16 16 30 17 3 3 3 33 33 34 4 36 36 37 14 8 8 39 6 1 1 1 1 3 4 4 4 4 4 4 6 6 6 6 6 6 10 10 10 10 10 10 12 12 12 13 14 14 14 14 14 14 15 17 17 17 17 17 17 20 20 20 21 22 23 23 23 25 26 26 26 26 26 26 29 29 29 30 32 32 32 32 32 32 34 35 35 35 36 38 38 38 41 42 40 42 42 32 8 25 34 25 34 34 9 31 41 31 41 41 11 15 21 15 21 21 3 13 13 26 16 33 36 33 36 36 14 19 22 30 22 30 30 22 27 27 20 20 24 25 25 23 27 28 42 28 42 42 30 31 31 29 33 34 40 34 40 40 32 37 39 39 35 39 41 41 38 26 111.0503 104.3785 104.325 155.211 107.4434 126.6042 125.6266 101.6094 101.6843 89.4407 106.6931 120.7823 118.4001 109.9583 100.3634 98.7337 106.996 101.8683 96.3735 121.2074 120.4072 105.4682 104.2734 107.9738 104.5928 158.8039 107.7298 102.6296 132.502 106.1756 107.4645 97.0729 160.4444 107.0886 120.7528 119.3338 95.9789 101.8464 107.3984 106.1164 108.6735 106.993 162.102 159.6655 114.4865 104.2937 105.3929 159.4153 96.0427 123.1884 94.8796 107.3802 98.538 129.8429 108.0181 110.1016 105.0064 164.2981 102.1593 134.8398 93.5046 107.5773 106.8085 109.0244 162.8712 106.5761 107.9115 122.6631 163.3319 113.5451 106.1623 106.6699 161.0433 151.0412 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 10 4 6 14 1 20 6 14 35 1 10 4 6 14 1 20 6 14 35 1 2 8 9 16 19 27 31 33 39 40 2 8 9 16 19 27 31 33 39 40 12 38 23 29 17 26 29 32 38 32 12 38 23 29 17 26 29 32 38 32 6 2 2 1 2 1 1 2 1 6 6 2 2 1 2 1 1 2 1 6 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 170.0973 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 173.0391 175.2685 175.1153 170.8266 170.3122 171.1812 169.9658 171.2581 179.9983 185.1416 188.4812 187.0022 186.1578 180.869 172.7632 176.138 172.665 182.6511 182.2087 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 40 40 40 42 42 42 19 19 19 42 42 42 19 40 5 5 25 25 34 34 7 7 31 31 41 41 7 7 9 9 41 41 11 11 15 15 21 21 32 32 12 12 12 5 8 34 5 8 25 7 9 31 2 11 21 2 11 15 2 3 12 12 12 16 33 36 15 15 33 33 36 36 15 15 15 16 16 16 36 36 36 15 16 33 18 19 30 18 19 22 22 27 21 27 21 21 21 22 22 22 9 24 13 27 28 16 31 3 33 40 37 39 36 36 37 37 8 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 3 3 3 3 3 4 4 4 4 4 4 6 6 6 10 10 10 10 10 10 12 12 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 20 23 23 26 26 26 29 29 32 32 32 35 35 35 35 35 35 38 38 17 17 17 17 17 17 32 32 32 32 32 32 42 42 38 38 38 38 38 38 23 23 23 23 23 23 29 29 29 29 29 29 12 12 12 12 12 12 12 12 32 32 32 25 25 25 34 34 34 41 41 41 15 15 15 21 21 21 13 13 26 26 26 15 15 15 29 29 29 29 29 29 32 32 32 32 32 32 32 32 32 36 36 36 22 22 22 30 30 30 21 21 22 22 26 26 26 26 26 26 25 25 42 42 42 30 30 34 34 34 36 36 38 38 38 38 41 41 18 22 30 18 22 30 3 33 34 3 33 34 26 26 39 41 39 41 39 41 24 25 24 25 24 25 16 30 16 30 16 30 3 13 3 13 3 13 2 13 33 34 40 23 23 23 32 32 32 38 38 38 14 14 14 20 20 20 26 26 27 28 42 10 10 10 30 31 30 31 30 31 3 34 40 3 34 40 3 34 40 35 35 35 20 20 20 29 29 29 10 10 17 17 13 28 42 13 28 42 4 4 1 1 1 17 17 4 4 4 14 14 8 41 8 41 6 6 162.1178 -73.9521 33.946 -87.6597 36.2704 144.1685 99.8062 -4.2042 -120.1729 -12.7156 -116.726 127.3053 -59.4787 57.1472 -100.6194 144.8127 124.3327 9.7648 34.0476 -80.5203 -122.6182 124.3842 12.9488 -100.0488 114.1729 1.1754 -161.6665 85.2118 73.8678 -39.2538 -29.5795 -142.7011 -133.4029 117.5822 -4.0016 -113.0165 101.9115 -7.1034 -39.7253 73.5568 53.2999 -176.1638 -54.7327 -161.821 -39.5581 62.257 -164.8028 73.5428 -28.1983 -128.127 -12.6061 99.6756 29.2021 147.6615 -70.9262 -16.3882 -130.3786 87.8309 38.7444 -71.8836 -39.3277 -154.6793 59.8139 97.1908 -14.609 -126.7255 -44.5617 -157.3858 64.1558 -48.6683 165.2031 52.3791 -14.2266 -161.6474 80.7951 -125.4773 87.102 -30.4556 122.6534 -24.7673 -142.3249 162.3847 -61.4506 48.0198 111.6178 -2.3434 -106.7692 -140.2864 -22.7523 77.4579 -99.4427 15.3141 95.5006 -20.3985 1.3279 129.3432 -93.6408 113.3113 -118.6734 18.3426 29.6262 -91.2896 -58.6092 38.2629 159.5066 -39.3713 78.104 154.6479 -76.5515 38.9218 135.7024 2.2313 -62.3223 51.2767 173.9478 -72.4531 5.9715 -115.4236 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00024 0.00028 0.00034 0.00039 0.00043 0.00050 0.00054 0.00061 0.00074 0.00119 0.00169 0.00176 0.00225 0.00258 0.00295 0.00304 0.00331 0.00358 0.00372 0.00415 0.00461 0.00468 0.00489 0.00506 0.00549 0.00589 0.00630 0.00683 0.00704 0.00729 0.00776 0.00802 0.00860 0.00901 0.00941 0.00945 0.00964 0.00984 0.01048 0.01096 0.01122 0.01161 0.01176 0.01285 0.01291 0.01310 0.01342 0.01358 0.01397 0.01437 0.01474 0.01533 0.01553 0.01586 0.01647 0.01675 0.01734 0.01787 0.01821 0.01853 0.01893 0.01915 0.01985 0.02014 0.02104 0.02131 0.02187 0.02256 0.02293 0.02445 0.02509 0.02609 0.02657 0.02733 0.02796 0.02904 0.02961 0.03023 0.03485 0.03734 0.04136 0.04210 0.04354 0.05168 0.05483 0.05718 0.05787 0.05929 0.05973 0.06424 0.07010 0.11020 0.32373 0.33582 0.34739 0.36061 0.37717 0.39213 0.40420 0.41109 0.42458 0.42595 0.44458 0.44723 0.44870 0.45317 0.45808 0.46314 0.47343 0.48290 0.48509 0.48636 0.48778 0.49361 0.53960 0.53980 0.53998 0.54116 0.54171 0.54355 Angle between quadratic step and forces= 68.35 degrees. 1 2 0.00057861 0.00000053 0.00000074 0.00000018 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 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 3.21690 1.87237 1.84299 1.88755 3.15350 1.84531 3.51331 1.81708 1.89665 3.57347 3.42455 1.81796 1.88145 3.50402 3.60518 3.06775 3.17931 1.81812 3.54062 3.57331 1.84050 3.62777 1.84477 1.87768 3.31411 3.33405 3.18543 1.81803 1.87619 3.58589 3.52163 1.84346 1.84098 3.16884 1.83761 1.84390 1.88372 1.81724 3.61902 1.84097 1.84427 1.86343 1.84967 3.23105 1.85467 1.81595 3.36768 1.85376 1.83995 1.93819 1.82175 1.82081 2.70894 1.87524 2.20966 2.19260 1.77342 1.77473 1.56104 1.86215 2.10805 2.06647 1.91913 1.75167 1.72323 1.86743 1.77794 1.68204 2.11547 2.10150 1.84077 1.81991 1.88450 1.82549 2.77165 1.88024 1.79122 2.31260 1.85311 1.87561 1.69424 2.80028 1.86905 2.10753 2.08277 1.67515 1.77756 1.87446 1.85208 1.89671 1.86738 2.82921 2.78669 1.99817 1.82027 1.83945 2.78232 1.67626 2.15004 1.65596 1.87414 1.71981 2.26619 1.88527 1.92164 1.83271 2.86754 1.78302 2.35340 1.63196 1.87758 1.86416 1.90284 2.84264 1.86010 1.88341 2.14087 2.85068 1.98174 1.85288 1.86174 2.81074 2.63617 2.96876 3.02010 3.05901 3.05634 2.98149 2.97251 2.98768 2.96646 2.98902 3.14156 3.23133 3.28962 3.26380 3.24907 3.15676 3.01529 3.07419 3.01357 3.18786 3.18014 2.82949 -1.29071 0.59247 -1.52995 0.63304 2.51622 1.74195 -0.07338 -2.09741 -0.22193 -2.03725 2.22190 -1.03810 0.99741 -1.75614 2.52746 2.17001 0.17043 0.59424 -1.40534 -2.14009 2.17091 0.22600 -1.74618 1.99269 0.02051 -2.82161 1.48723 1.28924 -0.68511 -0.51626 -2.49060 -2.32832 2.05220 -0.06984 -1.97251 1.77869 -0.12398 -0.69334 1.28381 0.93026 -3.07464 -0.95527 -2.82431 -0.69042 1.08659 -2.87635 1.28356 -0.49215 -2.23624 -0.22002 1.73967 0.50967 2.57718 -1.23790 -0.28603 -2.27554 1.53294 0.67622 -1.25461 -0.68640 -2.69966 1.04395 1.69630 -0.25497 -2.21178 -0.77775 -2.74690 1.11973 -0.84942 2.88334 0.91419 -0.24830 -2.82128 1.41014 -2.18999 1.52022 -0.53155 2.14071 -0.43227 -2.48404 2.83415 -1.07251 0.83810 1.94810 -0.04090 -1.86347 -2.44846 -0.39710 1.35189 -1.73560 0.26728 1.66680 -0.35602 0.02318 2.25747 -1.63434 1.97766 -2.07124 0.32014 0.51708 -1.59330 -1.02292 0.66781 2.78391 -0.68716 1.36317 2.69912 -1.33608 0.67931 2.36845 0.03894 -1.08773 0.89495 3.03596 -1.26455 0.10422 -2.01452 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 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 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -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 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -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 -0.00059 0.00003 -0.00006 0.00001 0.00006 -0.00001 0.00020 0.00001 0.00003 0.00060 -0.00088 0.00001 0.00001 -0.00056 -0.00009 -0.00011 0.00005 0.00001 -0.00016 0.00086 -0.00001 0.00031 0.00000 0.00001 0.00028 -0.00013 -0.00006 0.00000 0.00005 0.00001 -0.00009 -0.00003 0.00000 0.00055 0.00002 -0.00002 -0.00005 0.00001 0.00127 0.00001 0.00004 -0.00002 0.00007 -0.00023 0.00001 -0.00001 0.00078 -0.00008 0.00000 -0.00011 0.00050 0.00008 0.00014 -0.00008 0.00082 -0.00027 -0.00037 0.00010 -0.00032 -0.00007 -0.00048 0.00048 -0.00008 -0.00059 0.00071 -0.00006 0.00001 -0.00012 0.00016 -0.00090 0.00090 -0.00008 -0.00021 0.00001 0.00044 0.00004 0.00006 -0.00021 -0.00021 0.00024 0.00001 -0.00036 0.00002 0.00025 -0.00047 -0.00029 0.00036 0.00018 -0.00007 -0.00036 -0.00030 0.00036 0.00052 -0.00011 0.00051 -0.00002 -0.00042 -0.00004 -0.00056 -0.00041 -0.00012 -0.00008 0.00104 -0.00004 -0.00000 -0.00003 0.00027 -0.00005 -0.00004 -0.00028 -0.00002 0.00015 0.00029 0.00034 0.00007 0.00018 0.00161 -0.00007 -0.00022 0.00016 0.00003 0.00023 -0.00052 0.00000 0.00005 0.00004 -0.00002 0.00009 0.00008 0.00007 -0.00000 -0.00015 -0.00012 0.00007 -0.00011 -0.00017 0.00022 -0.00039 -0.00005 0.00000 0.00013 0.00037 0.00026 -0.00075 -0.00048 -0.00030 -0.00043 -0.00016 0.00001 0.00005 0.00014 -0.00003 -0.00062 -0.00053 -0.00071 0.00081 0.00093 0.00075 0.00070 0.00004 -0.00001 0.00039 0.00034 0.00105 0.00078 0.00020 -0.00006 0.00077 0.00051 -0.00060 -0.00056 -0.00000 0.00004 0.00040 0.00045 -0.00106 -0.00097 -0.00083 -0.00075 0.00007 0.00015 0.00061 0.00035 -0.00037 -0.00053 -0.00045 -0.00002 0.00008 0.00010 -0.00025 -0.00004 0.00040 -0.00212 -0.00239 -0.00243 0.00273 0.00275 0.00261 -0.00092 -0.00042 -0.00078 0.00032 0.00049 -0.00026 0.00016 -0.00039 -0.00250 -0.00230 -0.00226 -0.00032 -0.00024 -0.00032 -0.00024 -0.00037 -0.00028 0.00033 0.00050 0.00005 0.00032 0.00049 0.00004 0.00012 0.00029 -0.00016 -0.00205 -0.00188 -0.00204 0.00112 0.00120 0.00088 0.00080 0.00085 0.00071 0.00143 0.00088 -0.00138 -0.00080 -0.00021 -0.00098 0.00021 -0.00055 -0.00132 -0.00013 -0.00032 -0.00042 -0.00064 -0.00075 -0.00031 -0.00061 -0.00065 -0.00030 -0.00047 -0.00016 0.00442 0.00220 -0.00061 -0.00054 -0.00233 -0.00226 0.00200 0.00216 -0.00059 0.00003 -0.00006 0.00001 0.00006 -0.00001 0.00020 0.00001 0.00003 0.00060 -0.00088 0.00001 0.00001 -0.00056 -0.00009 -0.00011 0.00005 0.00001 -0.00016 0.00086 -0.00000 0.00031 0.00000 0.00001 0.00028 -0.00013 -0.00006 0.00000 0.00005 0.00001 -0.00009 -0.00003 0.00000 0.00055 0.00002 -0.00002 -0.00005 0.00001 0.00127 0.00001 0.00004 -0.00002 0.00007 -0.00023 0.00001 -0.00001 0.00078 -0.00008 0.00000 -0.00011 0.00050 0.00008 0.00014 -0.00008 0.00082 -0.00027 -0.00037 0.00010 -0.00032 -0.00007 -0.00048 0.00048 -0.00008 -0.00059 0.00071 -0.00006 0.00001 -0.00012 0.00016 -0.00090 0.00090 -0.00008 -0.00021 0.00001 0.00044 0.00004 0.00006 -0.00021 -0.00021 0.00024 0.00001 -0.00036 0.00002 0.00025 -0.00047 -0.00029 0.00036 0.00018 -0.00007 -0.00036 -0.00030 0.00036 0.00052 -0.00011 0.00051 -0.00002 -0.00042 -0.00004 -0.00056 -0.00041 -0.00012 -0.00008 0.00104 -0.00004 -0.00000 -0.00003 0.00027 -0.00005 -0.00004 -0.00028 -0.00002 0.00015 0.00029 0.00034 0.00006 0.00018 0.00161 -0.00007 -0.00022 0.00016 0.00003 0.00023 -0.00052 0.00000 0.00005 0.00004 -0.00002 0.00009 0.00008 0.00007 -0.00000 -0.00015 -0.00012 0.00007 -0.00011 -0.00017 0.00022 -0.00039 -0.00005 0.00000 0.00013 0.00037 0.00026 -0.00075 -0.00048 -0.00030 -0.00043 -0.00016 0.00001 0.00005 0.00014 -0.00003 -0.00062 -0.00053 -0.00071 0.00081 0.00093 0.00075 0.00070 0.00004 -0.00001 0.00039 0.00034 0.00105 0.00078 0.00020 -0.00006 0.00077 0.00051 -0.00060 -0.00056 -0.00000 0.00004 0.00040 0.00045 -0.00106 -0.00097 -0.00083 -0.00075 0.00007 0.00015 0.00061 0.00035 -0.00037 -0.00053 -0.00045 -0.00002 0.00008 0.00010 -0.00025 -0.00004 0.00040 -0.00212 -0.00239 -0.00243 0.00273 0.00275 0.00261 -0.00092 -0.00042 -0.00078 0.00032 0.00049 -0.00026 0.00016 -0.00039 -0.00250 -0.00230 -0.00226 -0.00032 -0.00024 -0.00032 -0.00024 -0.00037 -0.00028 0.00033 0.00050 0.00005 0.00032 0.00049 0.00004 0.00012 0.00029 -0.00016 -0.00206 -0.00188 -0.00204 0.00112 0.00120 0.00088 0.00080 0.00085 0.00071 0.00143 0.00088 -0.00138 -0.00080 -0.00021 -0.00098 0.00021 -0.00055 -0.00132 -0.00013 -0.00032 -0.00042 -0.00064 -0.00075 -0.00031 -0.00061 -0.00065 -0.00030 -0.00047 -0.00016 0.00442 0.00220 -0.00061 -0.00054 -0.00233 -0.00226 0.00200 0.00216 3.21631 1.87241 1.84293 1.88756 3.15356 1.84530 3.51351 1.81710 1.89668 3.57407 3.42366 1.81797 1.88147 3.50346 3.60509 3.06764 3.17936 1.81814 3.54046 3.57418 1.84050 3.62809 1.84477 1.87769 3.31439 3.33391 3.18537 1.81804 1.87624 3.58590 3.52154 1.84343 1.84098 3.16939 1.83763 1.84388 1.88367 1.81725 3.62029 1.84097 1.84432 1.86341 1.84974 3.23083 1.85468 1.81594 3.36846 1.85368 1.83995 1.93808 1.82225 1.82090 2.70908 1.87516 2.21048 2.19233 1.77305 1.77482 1.56071 1.86207 2.10757 2.06696 1.91905 1.75108 1.72394 1.86737 1.77795 1.68192 2.11562 2.10060 1.84167 1.81983 1.88429 1.82550 2.77209 1.88028 1.79128 2.31238 1.85290 1.87585 1.69426 2.79992 1.86907 2.10778 2.08230 1.67485 1.77792 1.87464 1.85201 1.89635 1.86708 2.82957 2.78721 1.99805 1.82078 1.83944 2.78190 1.67622 2.14949 1.65555 1.87402 1.71973 2.26723 1.88523 1.92163 1.83267 2.86781 1.78297 2.35335 1.63168 1.87756 1.86431 1.90312 2.84298 1.86017 1.88359 2.14248 2.85061 1.98152 1.85304 1.86177 2.81096 2.63565 2.96876 3.02015 3.05905 3.05632 2.98157 2.97259 2.98775 2.96646 2.98887 3.14145 3.23140 3.28950 3.26364 3.24929 3.15637 3.01524 3.07419 3.01370 3.18824 3.18040 2.82874 -1.29119 0.59217 -1.53038 0.63287 2.51623 1.74200 -0.07324 -2.09745 -0.22255 -2.03779 2.22119 -1.03729 0.99834 -1.75539 2.52816 2.17005 0.17042 0.59463 -1.40500 -2.13904 2.17170 0.22620 -1.74624 1.99347 0.02102 -2.82222 1.48667 1.28924 -0.68507 -0.51586 -2.49016 -2.32938 2.05122 -0.07067 -1.97326 1.77876 -0.12382 -0.69273 1.28416 0.92989 -3.07516 -0.95571 -2.82433 -0.69034 1.08669 -2.87660 1.28352 -0.49176 -2.23836 -0.22241 1.73723 0.51240 2.57992 -1.23529 -0.28695 -2.27596 1.53216 0.67653 -1.25412 -0.68666 -2.69950 1.04356 1.69380 -0.25728 -2.21403 -0.77807 -2.74714 1.11941 -0.84967 2.88297 0.91390 -0.24797 -2.82078 1.41019 -2.18968 1.52070 -0.53151 2.14083 -0.43198 -2.48419 2.83209 -1.07439 0.83607 1.94922 -0.03970 -1.86260 -2.44766 -0.39625 1.35261 -1.73417 0.26816 1.66542 -0.35682 0.02297 2.25648 -1.63413 1.97711 -2.07256 0.32001 0.51676 -1.59373 -1.02357 0.66706 2.78361 -0.68777 1.36252 2.69881 -1.33655 0.67915 2.37288 0.04114 -1.08834 0.89441 3.03364 -1.26680 0.10623 -2.01236 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.003977 0.000578 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.267026e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1297.3134756422 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0450154547 0.000000 4.280859 0.000000 3.377631 2.131158 0.000000 4.172584 6.010266 4.412195 0.000000 4.967004 6.667172 4.933051 0.961560 0.000000 4.311223 6.724930 6.160133 3.866062 4.695905 0.000000 5.028332 7.643123 7.096032 4.583311 5.338467 0.962023 0.000000 4.619203 6.188529 4.854512 1.003664 1.584465 3.365271 4.070590 0.000000 3.621488 6.543093 5.736575 3.348127 4.183328 0.995621 1.570668 3.089344 0.000000 4.647211 0.998849 3.009859 6.448215 7.172105 6.638372 7.523880 6.490473 6.588911 0.000000 5.590784 1.576440 3.656420 7.233816 7.912217 7.497433 8.379834 7.250926 7.495425 0.962109 0.000000 3.837165 1.668761 0.976496 5.384477 5.903121 6.909786 7.838034 5.814750 6.510003 2.655793 3.170683 0.000000 3.396437 2.176331 1.543165 5.639849 6.190851 6.978883 7.865963 6.151215 6.492731 3.067019 3.657377 0.973951 0.000000 4.220538 3.081933 3.480347 4.542707 5.342943 4.301136 5.201827 4.236773 4.476078 2.812562 3.475009 3.930038 4.436406 0.000000 4.357510 2.297372 3.242627 5.257830 6.036706 5.122553 6.014619 5.069153 5.237563 1.873616 2.510798 3.456187 3.974449 0.976211 0.000000 4.017114 3.652420 4.085692 4.727662 5.608938 3.658475 4.503084 4.365487 3.928188 3.271946 4.000860 4.526032 4.864277 0.993626 1.590930 0.000000 2.687043 4.714933 4.997453 6.034005 6.964889 4.294125 4.823359 6.085149 4.090405 4.514659 5.383573 5.181125 4.816041 4.194442 4.192977 3.520738 0.000000 3.178171 5.620652 5.839857 6.620262 7.538541 4.598953 4.964395 6.689142 4.366194 5.427090 6.274412 6.013446 5.559657 5.116360 5.145457 4.389793 0.962062 0.000000 1.702309 4.469480 4.352422 5.267333 6.169348 4.063761 4.675118 5.439550 3.658316 4.475532 5.404648 4.633693 4.228605 4.067508 4.135689 3.534416 0.992834 1.572462 0.000000 3.693027 3.014925 4.119267 7.155306 7.986364 6.583603 7.305004 7.352637 6.355979 2.835119 3.468658 3.745968 3.321649 4.395706 3.784823 4.240153 2.831376 3.451698 2.985938 0.000000 3.966034 2.234413 3.707239 6.933106 7.750126 6.521612 7.305123 7.062773 6.377530 1.890917 2.518499 3.311566 3.136517 3.730214 2.995962 3.716849 3.252394 4.024448 3.382511 0.975516 0.000000 3.311379 3.524607 4.410910 6.831302 7.713019 5.823483 6.487321 6.963438 5.631798 3.265927 4.006991 4.240062 3.842707 4.170712 3.732873 3.809634 1.897571 2.528499 2.231361 0.974206 1.558309 0.000000 2.851366 6.437679 5.201458 2.825358 3.553362 2.671346 3.146022 3.098836 1.682418 6.719554 7.659123 5.994212 5.838449 5.062949 5.689536 4.727730 4.330309 4.573107 3.577804 6.288676 6.422147 5.695170 0.000000 1.939476 5.829871 4.631615 3.220854 3.982314 3.202839 3.762295 3.627774 2.265465 6.151572 7.103964 5.339846 5.072668 4.868824 5.352268 4.553836 3.697392 3.958083 2.840403 5.489728 5.698219 4.939538 0.972424 0.000000 3.140851 6.281676 4.839515 1.890999 2.582427 3.018850 3.602451 2.312379 2.143181 6.646871 7.552194 5.714076 5.672307 4.908075 5.572068 4.750406 4.932122 5.307141 4.130999 6.582466 6.604066 6.091073 0.975751 1.549650 0.000000 2.808412 3.468865 3.166386 6.313734 6.960994 6.947247 7.709554 6.857453 6.370626 4.031801 4.725185 2.849638 1.919735 5.300297 4.896442 5.383855 3.948840 4.440390 3.387214 2.660159 3.074546 3.058390 5.613466 4.686804 5.744885 0.000000 2.994873 3.127783 3.416263 6.636962 7.366726 6.803570 7.557379 7.054624 6.344535 3.471123 4.158835 3.027791 2.254313 4.931541 4.434864 4.934104 3.397817 3.934974 3.059297 1.676875 2.193408 2.171602 5.836462 4.932557 6.045086 0.996823 0.000000 3.588370 4.212814 3.964352 7.136831 7.739109 7.805975 8.532666 7.731929 7.194532 4.773691 5.370451 3.540424 2.575114 6.242846 5.797239 6.319772 4.625365 4.985513 4.120784 3.186325 3.712592 3.663374 6.348105 5.397500 6.509269 0.961639 1.578318 0.000000 4.082411 4.961934 5.315241 5.259043 6.201012 2.821178 3.449506 4.850806 3.255188 4.535362 5.304245 5.755899 5.867089 2.673463 3.161280 1.685655 2.813789 3.438582 3.093960 4.549186 4.332309 3.806558 4.393388 4.292960 4.729225 5.871083 5.363002 6.748759 0.000000 3.548992 4.816142 5.196996 5.527952 6.488423 3.179743 3.761863 5.278140 3.386873 4.426283 5.248129 5.552370 5.508241 3.116594 3.401916 2.192348 1.863566 2.480944 2.284351 3.869082 3.831752 3.031243 4.278307 3.998334 4.745470 5.233129 4.685376 6.058422 0.974198 0.000000 4.038925 5.553942 5.560473 4.714992 5.645150 1.854249 2.487885 4.253005 2.385329 5.254186 6.064862 6.129314 6.227689 3.108378 3.778783 2.219168 3.173787 3.674247 3.264158 5.234389 5.083333 4.463375 3.720582 3.801403 4.079128 6.211786 5.831101 7.095437 0.975947 1.547220 0.000000 2.700151 3.277865 1.859165 2.762664 3.474143 4.429268 5.366494 3.097752 4.007957 3.790248 4.604873 2.776043 3.089762 2.725176 3.034714 3.136103 4.412674 5.225811 3.697645 4.657760 4.323853 4.550975 3.616645 3.270713 3.185269 4.029105 4.203183 4.939014 4.166258 4.211678 4.145759 0.000000 3.140551 3.037527 2.280602 3.160014 3.935966 4.142001 5.103370 3.185936 3.939064 3.318395 4.117389 3.057384 3.497658 1.753750 2.185701 2.243619 4.227603 5.107894 3.697536 4.507057 4.036885 4.345352 3.966472 3.709189 3.624403 4.457113 4.415939 5.405799 3.484044 3.678969 3.570848 0.986083 0.000000 3.148172 4.213568 2.642136 1.812192 2.497737 4.200286 5.102087 2.242338 3.730993 4.715285 5.500015 3.608541 3.925416 3.264395 3.766590 3.632676 5.020332 5.763480 4.261601 5.582467 5.280442 5.404840 3.254026 3.137653 2.606342 4.813590 5.074891 5.687715 4.534901 4.685658 4.313213 0.978805 1.585363 0.000000 6.166918 5.407021 5.254778 4.351669 4.867071 4.573808 5.327692 3.618776 4.987329 5.261390 5.690051 5.923881 6.599729 2.719121 3.507179 3.120715 6.481293 7.298651 6.277009 7.107570 6.439453 6.829530 5.822983 6.061650 5.391720 7.697871 7.496460 8.651513 4.216375 5.032600 4.159097 4.093529 3.313893 3.975366 0.000000 5.515698 4.501878 4.553905 4.384825 5.020255 4.450072 5.280944 3.791661 4.804609 4.305246 4.764196 5.150970 5.806054 1.764302 2.528441 2.269865 5.707857 6.567632 5.539123 6.159248 5.470263 5.913049 5.581841 5.672911 5.232978 6.872531 6.611470 7.823462 3.590597 4.334719 3.710598 3.528487 2.636356 3.631962 0.981447 0.000000 6.947086 5.958671 6.056222 5.266435 5.769474 5.061300 5.726378 4.479867 5.609477 5.680713 6.010868 6.653393 7.345156 3.232505 3.933613 3.534619 6.975792 7.775596 6.887179 7.591995 6.886203 7.299384 6.604961 6.861740 6.236077 8.425368 8.143191 9.377452 4.507910 5.393591 4.519187 4.983180 4.145361 4.919206 0.960959 1.557180 0.000000 5.425761 6.609702 5.736805 2.615958 3.134136 2.846262 3.456265 1.623383 3.082383 6.676965 7.382766 6.629000 7.037428 4.014785 4.971369 3.984290 6.211555 6.811433 5.792945 7.678669 7.311206 7.190706 3.874128 4.478639 3.394765 7.722499 7.726485 8.648485 4.295979 4.965465 3.650632 3.975793 3.652025 3.372189 2.755065 3.155861 3.404537 0.000000 5.639187 6.155745 5.509264 3.135932 3.661927 3.335713 4.020177 2.206800 3.685998 6.150659 6.776526 6.345730 6.856422 3.432650 4.383227 3.525430 6.245821 6.935019 5.905721 7.451061 6.974271 7.024196 4.538336 5.003661 4.072973 7.699243 7.627105 8.647712 4.110325 4.873263 3.651169 3.895752 3.378426 3.444460 1.782099 2.283625 2.438813 0.980965 0.000000 0.990816 3.703906 2.601643 3.497832 4.300969 4.155869 4.988857 3.926617 3.540312 4.132572 5.066652 3.224422 3.010150 3.492243 3.683039 3.465632 3.148429 3.823006 2.256377 3.838541 3.866100 3.562364 2.887129 2.162312 2.893967 3.033617 3.220137 3.918812 3.886262 3.558767 3.854468 1.709800 2.207005 2.229920 5.335108 4.695117 6.153927 4.772847 4.899673 0.000000 5.064556 6.616237 5.881628 2.983068 3.661688 1.907779 2.512164 2.112664 2.305267 6.604844 7.365192 6.735080 7.044208 3.931023 4.890542 3.662614 5.560874 6.087251 5.216767 7.303067 7.014924 6.716559 3.425816 4.047004 3.185791 7.507805 7.445054 8.428251 3.616715 4.266392 2.855195 4.075688 3.709963 3.600752 3.160426 3.373447 3.720299 0.973661 1.567890 4.545210 0.000000 0.975268 4.081880 3.212492 4.848359 5.565074 5.280661 5.995467 5.386409 4.595245 4.554136 5.446520 3.468954 2.824616 4.705223 4.657865 4.607546 3.056234 3.508601 2.161840 3.358556 3.733371 3.191970 3.726205 2.782417 3.952080 1.915101 2.286506 2.636698 4.810268 4.205970 4.890896 3.091953 3.616050 3.659787 6.820230 6.111929 7.604206 6.279817 6.437990 1.552751 5.978835 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9826,-1.8796,-.6363;2.5525,2.101,-.5098;1.5498,1.1078,-2.1067;-2.562,-.4764,-2.3325;-3.0242,-.4015,-3.1723;-2.8036,-1.4948,1.3892;-3.3674,-2.1038,1.8758;-3.1405,-.0504,-1.6316;-2.4045,-2.0126,.6383;2.5091,2.3731,.4502;2.9622,3.2187,.5236;2.4845,1.3732,-2.01;2.9742,.5329,-1.9589;-.2466,1.9069,.7651;.6773,2.2188,.8121;-.3792,1.2431,1.4924;1.4394,-1.7273,2.0072;1.5437,-2.5952,2.409;1.2281,-1.8733,1.0482;3.6308,-.1102,1.2331;3.2954,.802,1.1495;2.9431,-.6085,1.7103;-1.7512,-2.68,-.7611;-.7794,-2.6744,-.7946;-2.0384,-2.077,-1.4724;3.6209,-1.1202,-1.2278;3.7484,-.7815,-.299;4.4476,-1.5287,-1.5006;-.7163,-.0087,2.5698;.0299,-.6346,2.5476;-1.4857,-.5217,2.2578;-.0833,.437,-1.5238;-.2691,.999,-.7352;-.94,.2372,-1.9529;-2.7187,2.9558,.3382;-1.7788,2.7499,.5318;-3.0179,3.5493,1.0322;-3.8653,.5337,-.3016;-3.548,1.4249,-.0419;.6024,-1.0179,-.9438;-3.6272,-.07,.4242;1.8825,-1.8941,-1.0121; 0.4125168 0.2500812 0.2321082 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.64D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69555318508 -1070.69555319 1 1.067239947309e+03 -5.127289052647e+03 1.692085091966e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12839 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=6503340184. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 113526 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 2.84D-14 1.00D-09 XBig12= 6.13D+01 1.10D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 2.84D-14 1.00D-09 XBig12= 2.49D+00 1.51D-01. 126 vectors produced by pass 2 Test12= 2.84D-14 1.00D-09 XBig12= 2.35D-02 1.35D-02. 126 vectors produced by pass 3 Test12= 2.84D-14 1.00D-09 XBig12= 7.36D-05 8.47D-04. 126 vectors produced by pass 4 Test12= 2.84D-14 1.00D-09 XBig12= 1.02D-07 2.15D-05. 76 vectors produced by pass 5 Test12= 2.84D-14 1.00D-09 XBig12= 8.10D-11 5.00D-07. 5 vectors produced by pass 6 Test12= 2.84D-14 1.00D-09 XBig12= 4.89D-14 2.09D-08. 1 vectors produced by pass 7 Test12= 2.84D-14 1.00D-09 XBig12= 4.86D-17 1.20D-09. InvSVY: IOpt=1 It= 1 EMax= 1.69D-14 Solved reduced A of dimension 712 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 125.24 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 131.153 -0.890 123.696 -1.034 0.902 120.874 148.291 -1.470 147.298 -1.220 1.156 146.879 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT13387.300S Tue Nov 5 01:51:50 2024 -19.14674 -19.14187 -19.14146 -19.13945 -19.13586 -19.13181 -19.12604 -19.12270 -19.12267 -19.12230 -19.12194 -19.11901 -19.11196 -19.11094 -1.04270 -1.03482 -1.03373 -1.02991 -1.02751 -1.02158 -1.01945 -1.01244 -1.00917 -1.00696 -1.00587 -0.99944 -0.99344 -0.99315 -0.56271 -0.56088 -0.55813 -0.55640 -0.55250 -0.54565 -0.54535 -0.54322 -0.53447 -0.53337 -0.52988 -0.52709 -0.52643 -0.52484 -0.45996 -0.44524 -0.43869 -0.42551 -0.42365 -0.41985 -0.40908 -0.40297 -0.39932 -0.39124 -0.38501 -0.38209 -0.37320 -0.35942 -0.34424 -0.34148 -0.33987 -0.33547 -0.33514 -0.33194 -0.33020 -0.32600 -0.32180 -0.32041 -0.31809 -0.31702 -0.31209 -0.31025 -0.01225 0.01207 0.01914 0.02560 0.03584 0.03895 0.06273 0.07304 0.07846 0.08938 0.09589 0.09744 0.10052 0.10824 0.11141 0.11543 0.11947 0.12735 0.13613 0.13922 0.14433 0.14745 0.15228 0.15714 0.16144 0.16640 0.17216 0.17743 0.18014 0.18476 0.19026 0.19394 0.19781 0.20530 0.20822 0.21197 0.21686 0.21909 0.22508 0.22915 0.23118 0.23243 0.23601 0.23858 0.24625 0.24964 0.25368 0.25697 0.25933 0.26250 0.26408 0.26653 0.26890 0.27221 0.27406 0.27514 0.28277 0.28807 0.29039 0.29298 0.29432 0.29635 0.30732 0.30979 0.31463 0.31746 0.32374 0.33544 0.34797 0.34972 0.37161 0.38875 0.40422 0.42043 0.43207 0.43735 0.44598 0.45338 0.45882 0.46245 0.48439 0.49683 0.50212 0.50803 0.51429 0.52683 0.53432 0.53952 0.54839 0.55307 0.55907 0.56293 0.57170 0.58064 0.58191 0.59157 0.59421 0.60201 0.61574 0.62141 0.62360 0.62974 0.63476 0.64627 0.64703 0.65232 0.65819 0.67309 0.67784 0.70411 0.70722 0.71627 0.92034 0.92960 0.94322 0.94899 0.95163 0.96328 0.97958 0.98078 0.98423 0.99233 1.00821 1.01855 1.02124 1.02360 1.02784 1.03353 1.03508 1.04048 1.04442 1.04715 1.04830 1.05614 1.05922 1.06394 1.07476 1.07717 1.07869 1.08844 1.09419 1.09807 1.10253 1.10814 1.11556 1.12395 1.12693 1.13108 1.13845 1.14443 1.16151 1.18097 1.19401 1.20435 1.23251 1.24588 1.25642 1.26254 1.27409 1.28948 1.29148 1.29746 1.30534 1.31146 1.31616 1.32350 1.33525 1.33868 1.34954 1.36464 1.37354 1.37747 1.38099 1.38530 1.39102 1.39725 1.41507 1.42221 1.43061 1.43806 1.45149 1.45452 1.45725 1.46609 1.47384 1.48315 1.48858 1.49116 1.51092 1.51380 1.52114 1.52891 1.53540 1.55222 1.56262 1.56947 1.59046 1.59878 1.60154 1.62229 1.63731 1.64142 1.64507 1.66842 1.68573 1.70406 1.71405 1.71746 1.73021 1.73537 1.73927 1.74726 1.75227 1.76469 1.77553 1.78394 1.79263 1.79750 1.81017 1.82805 1.84200 1.85225 1.86710 1.88551 2.01238 2.02148 2.02531 2.03297 2.03343 2.04519 2.17356 2.18402 2.21129 2.22483 2.23800 2.25025 2.25628 2.27507 2.27892 2.29814 2.30992 2.32267 2.34037 2.35117 2.36354 2.37654 2.38091 2.40641 2.41120 2.43494 2.44221 2.47317 2.49960 2.50566 2.51512 2.52802 2.53428 2.54871 2.63251 2.64764 2.65031 2.66545 2.67924 2.69395 2.69753 2.70005 2.71232 2.72646 2.73588 2.74572 2.76032 2.76998 2.78523 2.80227 2.81682 2.83146 2.86500 2.89482 2.89621 2.92889 3.05000 3.06408 3.06923 3.07252 3.07545 3.07715 3.09907 3.10943 3.11360 3.11675 3.11985 3.12382 3.13274 3.13934 3.14729 3.15206 3.15533 3.16031 3.16383 3.17050 3.17760 3.18808 3.19844 3.20530 3.21173 3.22120 3.22603 3.22993 3.27789 3.29447 3.29762 3.30023 3.30867 3.31406 3.32452 3.32819 3.33038 3.33660 3.34361 3.34763 3.35309 3.38833 3.66717 3.67472 3.68110 3.69305 3.69688 3.72077 3.72665 3.74372 3.74784 3.75089 3.76094 3.76801 3.78425 3.79707 3.89677 3.90446 3.90838 3.90964 3.91368 3.91850 3.92123 3.92480 3.93446 3.93602 3.94626 3.95921 3.97359 4.00074 4.98721 5.00443 5.01083 5.01444 5.02027 5.03129 5.03243 5.03770 5.04198 5.05000 5.05838 5.10871 5.12406 5.13779 5.36934 5.37855 5.39610 5.40011 5.40691 5.41383 5.42732 5.43361 5.45356 5.46857 5.47447 5.51148 5.53020 5.55123 5.64468 5.64912 5.65488 5.65960 5.66099 5.66748 5.68217 5.69311 5.69631 5.70852 5.72464 5.73618 5.74526 5.75699 49.87664 49.89217 49.89588 49.91055 49.91064 49.91473 49.92999 49.93163 49.94296 49.94821 49.95562 49.96326 49.96627 49.97800 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.737472 0.407249 0.329644 -0.774864 0.311164 -0.727429 0.289150 0.413475 0.393906 -0.753620 0.304339 -0.624864 0.346130 -0.802837 0.390931 0.409412 -0.725341 0.291402 0.395394 -0.655062 0.360091 0.338409 -0.635305 0.333833 0.340582 -0.750857 0.391990 0.310278 -0.676861 0.354218 0.362642 -0.821227 0.398085 0.426594 -0.676688 0.381175 0.274425 -0.699732 0.410756 0.379400 0.340655 0.376830 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 4 6 10 12 14 17 20 23 26 29 32 35 38 O O O O O O O O O O O O O O 0.018759 -0.050225 -0.044373 -0.042032 0.050911 -0.002494 -0.038546 0.043437 0.039110 -0.048589 0.039999 0.003452 -0.021088 0.051679 -0.00000 5.70507648e-01 -5.84077368e-01 2.54591213e-01 1.31152743e+02 -8.90002921e-01 1.23696102e+02 -1.03406360e+00 9.02128896e-01 1.20874393e+02 -4.7517 0.0009 0.0009 0.0012 2.5210 3.3553 40.5301 49.1289 53.6330 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 40.5295 49.1282 53.6320 60.3270 65.1357 68.1674 71.2005 75.3592 77.8376 84.4201 86.1072 90.1424 104.5298 115.5312 140.5584 155.0368 170.8969 183.1336 185.4762 192.3795 194.9403 199.8334 206.5419 212.3913 222.6297 232.1450 240.5603 241.3008 260.2605 274.6539 284.5606 289.7280 295.6727 302.7900 317.5500 320.0078 329.9184 331.0990 334.6379 341.5215 345.0120 367.4327 436.0872 455.4304 467.9502 473.0730 492.5287 517.8931 536.0430 549.7743 558.9018 569.7322 593.3512 605.2224 618.3436 652.7975 655.7246 695.9534 707.6943 723.7373 734.5040 745.6840 758.1858 763.1613 784.7882 788.5625 812.8654 827.1232 849.8170 909.7910 935.9742 965.9149 991.8441 1024.8767 1064.3435 1068.2523 1117.2629 1137.0472 1633.8775 1639.9285 1646.2036 1648.4376 1650.9130 1656.6026 1674.1093 1680.3109 1687.9146 1697.2831 1701.4804 1709.9977 1715.0129 1745.0270 3060.7992 3143.9277 3194.7195 3208.1155 3218.1007 3265.0091 3329.5609 3404.5498 3477.6877 3526.6158 3539.9055 3588.8802 3598.1724 3603.2776 3612.1362 3615.7293 3621.1641 3638.6468 3660.8357 3668.2859 3672.3443 3696.1650 3874.9359 3876.0446 3876.5307 3881.0179 3882.3080 3891.2048 5.3006 5.8777 5.6138 5.4958 6.1181 6.4277 6.3464 6.3484 6.2503 6.6874 6.5260 6.4066 7.2030 7.4211 6.2316 5.9745 5.9961 5.4924 5.5691 5.4052 5.3753 5.6066 5.2580 5.1987 5.5175 3.5344 4.9968 1.3781 5.6180 5.0067 5.2244 5.4092 4.6721 5.9678 2.9834 3.8268 1.3006 1.3574 3.4419 1.1753 1.3727 1.1672 1.0566 1.0476 1.0526 1.0648 1.0602 1.0554 1.0386 1.0405 1.0489 1.0422 1.0398 1.0480 1.0448 1.0481 1.0629 1.0444 1.0511 1.0639 1.0383 1.0452 1.0587 1.0625 1.0787 1.0687 1.0618 1.0768 1.0594 1.0607 1.0563 1.0436 1.0580 1.0455 1.0416 1.0435 1.0406 1.0353 1.0765 1.0720 1.0753 1.0716 1.0731 1.0732 1.0704 1.0678 1.0676 1.0687 1.0688 1.0627 1.0649 1.0605 1.0700 1.0685 1.0672 1.0665 1.0668 1.0672 1.0666 1.0664 1.0623 1.0597 1.0723 1.0548 1.0500 1.0506 1.0558 1.0613 1.0676 1.0736 1.0746 1.0773 1.0801 1.0753 1.0660 1.0663 1.0663 1.0663 1.0659 1.0680 0.0051 0.0084 0.0095 0.0118 0.0153 0.0176 0.0190 0.0212 0.0223 0.0281 0.0285 0.0307 0.0464 0.0584 0.0725 0.0846 0.1032 0.1085 0.1129 0.1179 0.1204 0.1319 0.1322 0.1382 0.1611 0.1122 0.1704 0.0473 0.2242 0.2225 0.2492 0.2675 0.2406 0.3224 0.1773 0.2309 0.0834 0.0877 0.2271 0.0808 0.0963 0.0928 0.1184 0.1280 0.1358 0.1404 0.1515 0.1668 0.1758 0.1853 0.1931 0.1993 0.2157 0.2262 0.2354 0.2632 0.2693 0.2980 0.3102 0.3283 0.3300 0.3424 0.3586 0.3646 0.3914 0.3916 0.4134 0.4340 0.4508 0.5173 0.5452 0.5737 0.6132 0.6470 0.6952 0.7016 0.7653 0.7886 1.6932 1.6986 1.7169 1.7157 1.7232 1.7353 1.7675 1.7764 1.7920 1.8139 1.8231 1.8309 1.8455 1.9026 5.9061 6.2228 6.4173 6.4668 6.5093 6.7029 6.9668 7.2824 7.5696 7.7650 7.9171 8.0042 8.0091 8.0371 8.1163 8.1752 8.2481 8.3745 8.4853 8.5411 8.5821 8.6555 9.4306 9.4384 9.4413 9.4629 9.4654 9.5278 2.6084 0.4108 0.5806 2.4533 0.7659 0.5688 1.9040 1.4891 0.1160 0.7824 1.2890 2.3105 6.0421 0.6692 0.7394 0.5186 8.0705 0.3114 5.6059 8.3177 5.1516 0.8253 3.6378 5.8035 1.9962 12.5111 4.3274 105.9651 28.5441 49.6121 17.5337 3.0784 7.4304 91.8523 21.9993 9.1667 48.2662 81.1323 41.8080 87.6332 13.7231 98.8959 45.6472 8.7975 8.1931 0.6287 80.7176 39.3491 41.2714 17.5765 18.5175 12.2833 13.1312 32.5114 6.1562 36.7009 108.8259 49.8833 35.1555 58.6131 27.7029 77.5007 332.0106 97.8370 394.2168 422.0779 215.8914 381.6088 496.3763 44.3087 80.8901 118.4123 107.0292 48.2612 24.8829 138.0882 108.7171 18.1788 128.7906 27.0629 286.0214 126.9751 26.2819 31.7225 17.1818 42.1476 1.5869 37.8170 38.1706 9.5617 19.4351 0.9224 774.3262 198.2899 439.2353 803.5916 434.2681 2570.8737 1416.8141 645.7941 691.4581 485.5799 1167.7667 308.5683 217.2027 111.3292 113.3164 281.4742 332.3203 706.9280 1200.2133 771.5202 538.7312 409.5397 64.1937 23.0756 108.6845 57.8118 59.1848 73.9076 -0.01 0.02 0.04 0.04 -0.04 -0.10 0.08 -0.11 -0.08 0.00 0.07 -0.02 -0.02 0.09 -0.00 0.02 -0.07 -0.05 0.05 -0.09 -0.05 0.02 0.05 0.01 0.01 -0.05 -0.07 0.02 0.01 -0.12 0.03 0.01 -0.16 0.08 -0.12 -0.07 0.07 -0.13 -0.01 0.00 0.05 -0.11 0.00 0.05 -0.11 0.00 0.04 -0.12 -0.03 0.08 0.05 -0.03 0.09 0.07 -0.02 0.06 0.05 -0.01 0.05 0.04 -0.00 0.05 -0.02 -0.02 0.08 0.05 0.01 0.01 -0.09 0.01 0.02 -0.06 0.02 0.03 -0.07 0.03 -0.10 0.10 0.02 -0.04 0.09 0.03 -0.13 0.15 -0.05 0.07 -0.10 -0.04 0.08 -0.03 -0.03 0.04 -0.10 0.04 -0.00 -0.07 0.04 0.03 -0.09 0.04 0.01 -0.07 -0.13 -0.03 0.36 -0.08 0.01 0.16 -0.07 -0.24 0.56 0.01 -0.02 0.03 -0.04 -0.03 0.12 0.01 0.01 0.01 -0.00 -0.06 -0.00 0.00 -0.01 0.07 -0.06 -0.04 0.20 -0.05 -0.01 -0.05 -0.14 -0.06 0.08 0.04 0.05 -0.10 0.11 0.15 -0.13 0.08 -0.00 -0.16 0.06 0.01 -0.16 0.02 0.04 -0.11 0.03 -0.01 -0.18 -0.01 0.02 -0.06 -0.01 0.02 -0.10 -0.13 -0.04 -0.03 -0.12 -0.04 -0.05 -0.01 0.05 0.15 0.01 0.02 0.09 0.02 0.03 0.13 0.14 0.07 0.17 0.19 0.10 0.22 0.08 0.00 0.19 0.07 0.04 -0.10 0.07 0.04 -0.10 0.11 0.06 -0.02 -0.02 -0.05 -0.18 -0.02 -0.03 -0.10 0.01 -0.03 -0.17 -0.12 -0.06 -0.06 -0.04 -0.02 -0.08 -0.15 -0.09 -0.10 0.00 -0.05 0.05 0.04 -0.00 0.11 0.06 -0.07 -0.05 -0.05 -0.04 0.20 -0.06 -0.00 0.17 -0.03 -0.01 0.14 0.01 0.02 -0.00 -0.00 0.03 0.07 -0.05 0.02 -0.02 0.04 0.03 -0.09 0.03 0.03 -0.08 -0.06 -0.04 0.23 0.06 0.01 -0.11 -0.09 -0.05 0.13 -0.07 0.15 0.03 0.08 -0.08 0.10 0.03 0.05 0.03 -0.01 0.03 0.03 -0.03 0.04 0.04 0.10 -0.11 0.02 0.17 -0.15 0.05 -0.04 -0.06 0.06 0.08 -0.08 -0.02 0.10 -0.11 0.11 0.16 -0.15 0.13 0.04 -0.01 0.06 -0.00 -0.04 0.02 -0.00 0.18 -0.01 0.02 0.11 0.01 -0.04 0.16 -0.03 -0.03 0.08 0.02 -0.15 0.07 0.02 -0.06 0.11 0.02 0.12 -0.16 -0.02 0.14 -0.15 0.00 0.11 -0.13 -0.01 0.04 -0.02 -0.06 0.04 0.06 -0.04 0.01 -0.01 -0.03 -0.05 -0.09 -0.05 0.02 -0.12 -0.05 -0.10 -0.16 -0.10 -0.03 0.13 -0.06 0.00 0.17 -0.02 0.01 0.07 -0.05 -0.04 0.15 -0.00 -0.03 0.17 -0.02 -0.04 0.13 0.02 -0.10 -0.07 -0.14 -0.08 0.05 -0.11 -0.15 0.04 -0.25 -0.06 -0.15 0.09 -0.07 -0.14 0.06 -0.06 0.15 0.03 -0.01 -0.15 0.08 -0.08 0.11 0.01 -0.02 -0.05 -0.03 -0.02 0.02 -0.04 -0.02 -0.08 -0.00 -0.14 0.12 0.07 -0.18 0.20 0.10 0.14 -0.12 -0.03 0.17 -0.14 -0.03 -0.09 0.07 0.13 0.07 -0.08 -0.10 -0.02 0.08 -0.06 -0.02 0.08 -0.10 -0.02 -0.08 0.01 -0.02 -0.07 0.07 0.02 0.01 -0.03 0.02 0.03 -0.04 0.04 0.01 -0.03 0.02 -0.07 -0.03 0.04 -0.07 -0.03 0.00 -0.07 -0.03 -0.07 0.11 0.13 -0.09 0.10 0.09 -0.08 0.08 0.09 -0.05 -0.02 -0.18 -0.05 -0.03 -0.20 -0.06 0.05 -0.12 0.02 0.01 0.17 -0.02 0.05 0.16 0.04 0.02 0.22 0.07 -0.03 -0.05 0.08 -0.02 -0.03 0.09 -0.05 -0.06 -0.05 -0.04 -0.00 -0.00 -0.02 -0.01 -0.07 0.01 0.02 0.08 0.06 -0.17 0.07 0.04 -0.12 0.11 0.23 -0.30 -0.01 0.01 0.21 0.03 0.01 0.15 -0.03 -0.05 -0.02 0.08 -0.00 0.17 0.00 -0.01 0.02 0.05 0.11 0.05 -0.02 -0.08 -0.01 0.01 -0.05 -0.06 -0.12 0.09 0.01 -0.15 0.07 0.02 -0.17 -0.03 -0.01 -0.17 -0.07 -0.06 -0.12 0.06 0.03 -0.12 0.02 -0.02 -0.00 -0.09 -0.01 -0.10 -0.03 -0.04 0.01 -0.07 -0.02 0.00 -0.07 -0.00 0.01 -0.19 0.01 0.01 -0.21 0.04 -0.05 -0.18 0.01 0.13 0.17 0.04 0.18 0.16 0.01 0.10 0.19 0.04 0.24 0.04 0.02 0.22 0.03 -0.02 0.22 0.07 0.02 0.00 0.13 -0.01 0.00 0.13 0.02 0.00 0.13 -0.01 0.10 -0.00 0.04 0.16 0.01 0.02 0.07 -0.02 -0.01 -0.12 -0.13 0.05 -0.09 -0.09 0.05 -0.11 -0.14 0.04 -0.04 0.01 -0.11 -0.02 -0.04 -0.07 -0.06 0.03 -0.08 0.08 -0.06 -0.06 0.06 -0.12 -0.03 0.11 0.01 -0.11 -0.16 0.03 0.03 -0.08 0.00 0.02 0.03 0.07 -0.04 -0.17 0.00 0.01 0.05 0.09 0.05 -0.06 0.04 0.04 0.03 0.07 -0.03 -0.00 0.11 -0.05 0.03 -0.09 0.05 -0.03 -0.09 0.08 -0.08 -0.22 -0.02 -0.13 -0.21 -0.06 0.11 -0.04 0.08 -0.06 -0.21 -0.02 0.06 0.03 -0.01 0.02 0.05 -0.00 -0.00 0.11 -0.04 -0.02 0.10 -0.05 0.09 -0.07 -0.00 0.10 -0.11 0.05 -0.02 -0.05 -0.01 -0.12 0.14 0.05 -0.10 0.15 0.05 -0.11 0.12 0.04 -0.04 0.01 -0.04 0.02 0.03 -0.04 -0.07 0.06 -0.02 0.01 -0.15 -0.02 0.01 -0.08 0.02 -0.00 -0.13 0.01 -0.09 0.05 -0.05 -0.08 0.03 -0.05 -0.10 0.04 -0.06 -0.23 -0.01 -0.01 -0.20 0.02 0.04 -0.19 -0.06 -0.03 0.02 0.03 -0.07 0.02 0.01 -0.05 0.02 -0.00 -0.05 0.20 0.09 0.01 0.19 0.06 0.01 0.21 0.09 0.01 0.24 0.04 0.11 0.25 0.03 0.12 -0.05 0.03 -0.01 0.17 0.01 0.10 -0.06 0.02 0.03 0.02 0.04 -0.01 -0.10 -0.10 0.13 -0.09 -0.04 0.04 -0.12 -0.17 -0.03 -0.19 -0.21 -0.00 0.08 0.04 -0.06 0.02 0.08 -0.07 -0.03 -0.04 -0.03 0.06 -0.00 -0.04 -0.09 -0.13 0.14 -0.12 -0.11 0.15 -0.10 -0.03 0.11 -0.08 -0.02 0.08 -0.13 0.01 -0.11 -0.12 -0.02 -0.09 -0.11 -0.00 -0.12 0.10 0.01 -0.02 0.01 -0.00 -0.02 0.07 0.04 -0.01 0.16 -0.06 0.06 0.10 -0.08 0.08 0.17 -0.09 0.04 0.04 -0.09 -0.01 0.04 -0.04 -0.02 -0.01 -0.12 -0.01 0.04 0.03 0.03 0.09 -0.00 0.03 0.02 0.04 -0.04 0.05 0.01 -0.07 0.09 0.05 -0.06 0.08 -0.04 -0.05 -0.13 -0.05 -0.08 -0.16 -0.03 -0.11 -0.11 -0.10 -0.10 -0.06 0.25 0.07 -0.06 0.18 0.02 -0.04 0.11 0.20 0.16 0.14 -0.00 0.09 0.17 -0.01 -0.03 0.01 -0.03 0.18 0.16 0.01 0.02 0.07 -0.00 -0.08 0.15 -0.01 -0.03 -0.05 -0.06 -0.05 0.02 -0.09 -0.05 -0.05 -0.18 -0.10 -0.07 -0.16 0.20 0.07 0.04 0.18 0.07 0.01 -0.02 -0.06 -0.15 0.16 0.09 0.00 -0.01 -0.06 -0.06 -0.04 -0.05 -0.06 -0.04 -0.02 -0.07 -0.07 -0.03 -0.03 0.04 -0.15 0.04 0.03 -0.13 -0.01 0.06 -0.08 0.10 -0.08 -0.01 0.02 -0.10 -0.06 -0.07 -0.12 0.08 0.01 -0.06 -0.02 0.09 -0.06 -0.02 0.05 -0.07 -0.02 0.07 0.02 0.07 -0.04 0.02 0.10 -0.07 -0.02 0.01 -0.08 -0.07 0.02 0.08 -0.06 0.01 0.09 -0.09 -0.02 0.09 0.07 0.06 0.28 0.06 0.05 0.24 0.09 0.08 0.22 -0.10 0.10 -0.14 -0.11 0.02 -0.09 -0.09 0.07 -0.15 0.08 -0.10 0.04 0.07 -0.12 0.06 0.06 -0.15 0.07 0.11 -0.07 -0.07 0.09 -0.06 -0.08 -0.09 0.13 -0.07 0.15 -0.05 -0.06 -0.07 0.14 0.03 -0.12 -0.03 0.02 0.11 0.12 0.10 -0.05 0.10 0.08 -0.09 -0.10 -0.05 -0.08 -0.13 -0.06 -0.05 0.06 -0.03 -0.01 0.10 0.06 -0.10 -0.08 -0.07 -0.09 0.00 -0.01 0.20 0.13 0.10 0.20 0.13 0.07 -0.05 0.09 0.13 -0.07 0.07 0.12 0.19 0.02 -0.08 0.17 0.06 -0.04 0.18 0.00 -0.10 0.09 0.01 -0.02 0.13 0.01 -0.02 0.02 0.00 -0.00 0.08 0.06 0.07 0.13 0.08 0.09 0.05 0.08 0.05 -0.14 -0.08 0.01 -0.14 -0.07 0.02 -0.13 -0.09 -0.01 -0.13 0.05 0.07 -0.07 0.05 0.06 -0.14 0.06 0.02 0.09 0.01 -0.15 0.06 -0.02 -0.09 0.06 0.04 -0.14 -0.07 -0.03 -0.06 -0.01 0.00 -0.07 -0.08 -0.02 -0.03 0.10 -0.16 0.07 0.12 -0.11 0.00 0.10 -0.21 0.12 -0.09 -0.03 -0.08 -0.01 -0.06 -0.07 -0.13 -0.04 0.00 -0.11 -0.04 -0.09 -0.12 -0.01 0.02 0.14 0.03 0.01 0.03 -0.08 -0.10 -0.14 -0.03 -0.05 -0.10 -0.07 0.10 -0.04 -0.08 0.06 0.01 0.06 -0.16 0.06 0.04 -0.14 -0.14 -0.03 0.04 0.09 0.04 -0.10 0.14 -0.11 -0.08 0.20 -0.14 -0.10 -0.15 0.00 -0.13 -0.10 0.03 -0.11 0.11 0.07 0.04 0.13 0.01 0.00 0.08 0.08 0.04 -0.14 -0.06 0.06 -0.19 -0.06 0.07 -0.04 -0.04 0.04 -0.04 -0.11 0.10 -0.03 -0.11 0.06 -0.07 -0.10 0.07 0.17 -0.05 -0.03 0.17 -0.01 -0.05 0.12 -0.06 -0.02 0.11 0.19 -0.02 0.06 0.08 0.03 0.13 0.23 -0.03 -0.06 0.07 -0.02 -0.09 0.03 0.01 -0.06 0.11 -0.09 -0.09 -0.05 0.10 -0.03 -0.01 0.08 -0.12 -0.06 0.15 0.06 -0.03 0.05 0.07 0.00 0.02 0.07 -0.02 0.04 -0.17 0.07 -0.01 -0.08 0.04 -0.02 0.08 0.01 0.04 -0.13 0.04 -0.05 0.15 0.10 0.02 0.07 -0.21 -0.11 -0.00 0.05 0.13 -0.02 -0.05 0.13 -0.06 0.06 -0.02 -0.05 0.10 -0.02 0.12 0.03 -0.02 0.13 0.02 -0.03 -0.05 0.04 -0.01 0.11 0.05 -0.04 0.01 0.05 0.13 -0.03 0.08 0.11 -0.03 0.00 0.16 0.01 0.02 0.09 0.02 -0.08 -0.05 -0.00 -0.03 0.00 -0.04 0.03 0.04 -0.12 0.23 -0.09 -0.13 0.28 0.03 -0.06 0.09 -0.08 0.04 -0.01 -0.09 0.11 0.02 -0.04 -0.02 0.04 -0.12 -0.03 0.01 -0.09 -0.03 -0.09 -0.15 -0.02 0.03 -0.08 0.07 -0.03 -0.08 0.06 -0.02 -0.08 0.09 0.03 -0.10 -0.09 0.19 0.18 -0.06 0.22 0.07 -0.05 0.17 0.12 0.02 -0.20 0.04 0.05 -0.20 0.04 0.01 -0.12 0.02 0.01 -0.04 0.03 0.02 -0.06 -0.04 0.06 -0.07 0.08 -0.04 -0.01 0.03 -0.03 -0.01 0.02 0.06 -0.22 -0.11 0.01 -0.02 0.00 0.08 -0.19 -0.07 0.04 -0.04 0.22 -0.01 0.03 0.03 0.03 0.12 -0.07 -0.03 0.13 -0.03 -0.08 0.14 -0.00 0.05 -0.01 0.06 0.07 -0.03 0.05 -0.00 0.08 0.01 0.02 0.03 0.01 -0.03 -0.07 0.06 -0.02 -0.08 0.16 0.01 0.18 -0.03 0.03 0.18 -0.05 -0.02 -0.10 -0.21 -0.04 -0.05 -0.15 -0.02 -0.07 -0.18 0.02 -0.10 0.24 -0.03 -0.10 0.26 0.02 -0.10 0.25 -0.06 -0.10 -0.02 -0.10 -0.11 0.03 0.01 -0.13 0.05 -0.02 0.12 -0.04 -0.02 0.08 -0.01 0.01 0.13 -0.04 -0.06 0.13 -0.12 -0.07 0.04 -0.08 -0.06 0.16 -0.14 0.04 0.04 -0.06 0.04 0.04 0.07 0.05 -0.00 -0.01 0.09 -0.14 -0.13 0.07 -0.11 -0.15 0.09 -0.09 -0.14 -0.02 -0.01 -0.02 -0.01 -0.05 -0.11 0.06 -0.03 0.03 -0.01 -0.02 0.06 -0.03 -0.02 0.06 0.04 -0.07 0.13 0.01 -0.02 0.05 0.01 -0.07 0.15 0.02 -0.11 -0.06 -0.03 -0.11 -0.08 -0.16 -0.05 0.01 0.07 0.09 -0.17 0.07 0.17 -0.16 -0.10 -0.09 0.19 -0.11 -0.10 0.16 0.09 0.02 -0.12 -0.14 -0.04 0.13 0.07 -0.14 -0.06 0.08 -0.15 -0.08 -0.16 -0.00 -0.11 -0.12 0.02 -0.07 0.00 0.11 0.02 0.03 0.03 -0.00 -0.02 0.09 0.00 -0.01 0.04 -0.07 -0.06 0.06 -0.02 0.02 -0.01 -0.07 0.14 -0.03 0.16 0.11 -0.04 0.09 0.09 -0.03 0.07 -0.17 0.13 0.02 -0.17 -0.00 -0.00 -0.11 0.11 -0.02 0.05 0.18 0.05 0.07 0.10 0.08 0.06 0.25 -0.00 -0.02 0.03 -0.06 -0.02 0.04 -0.11 -0.05 0.02 0.04 -0.03 -0.08 0.13 -0.04 -0.03 0.09 -0.01 -0.02 0.05 -0.04 -0.02 -0.01 -0.02 0.07 -0.00 -0.10 -0.04 -0.02 0.21 -0.11 -0.02 0.14 -0.10 0.02 -0.01 -0.10 -0.00 0.11 -0.11 0.02 0.03 -0.03 -0.04 0.12 0.10 0.04 -0.01 0.06 0.07 -0.12 -0.15 0.17 -0.12 -0.02 -0.16 -0.18 -0.03 -0.13 -0.08 -0.08 0.08 -0.06 -0.14 0.02 -0.07 -0.04 -0.11 -0.01 0.01 0.06 0.04 0.16 0.04 0.07 0.15 -0.05 -0.13 -0.14 0.19 -0.08 -0.12 0.09 0.07 0.05 -0.01 0.06 0.08 0.01 0.06 0.02 -0.04 -0.04 -0.07 0.07 -0.00 -0.08 0.04 0.03 -0.04 0.05 -0.16 0.01 -0.14 -0.10 0.04 -0.08 -0.12 0.03 -0.08 0.14 0.23 0.05 0.14 0.24 0.04 0.10 0.14 -0.00 0.12 -0.12 -0.08 0.05 -0.07 -0.09 0.15 -0.10 -0.02 -0.02 -0.02 -0.12 -0.06 -0.06 -0.06 -0.06 -0.01 -0.04 -0.15 -0.02 0.03 -0.13 0.02 0.00 -0.13 0.00 -0.02 0.08 -0.03 0.01 0.09 0.01 0.02 0.04 -0.05 0.01 0.13 -0.05 0.00 0.14 -0.06 0.02 0.07 0.07 0.04 0.06 -0.06 0.01 0.10 0.08 -0.00 -0.01 -0.04 -0.05 -0.09 -0.02 0.01 -0.21 0.03 0.04 0.13 0.12 0.05 0.16 0.14 0.03 0.03 0.01 -0.03 0.06 -0.04 -0.07 0.08 0.07 0.04 0.15 0.05 0.00 -0.03 -0.05 0.02 -0.05 -0.03 0.01 -0.21 0.04 -0.01 -0.21 0.04 -0.02 0.00 -0.07 -0.07 -0.00 -0.06 -0.03 -0.03 -0.06 -0.07 -0.01 0.05 -0.10 -0.03 0.05 -0.09 -0.00 0.03 -0.11 0.04 0.01 0.06 0.04 0.01 0.03 0.01 0.03 0.04 0.30 0.10 0.12 0.30 0.11 0.10 0.27 0.05 0.08 -0.28 -0.11 0.11 -0.18 -0.04 0.08 -0.32 -0.15 0.07 -0.01 -0.01 -0.10 -0.01 -0.01 -0.12 -0.03 -0.01 -0.06 0.02 -0.06 0.01 0.03 -0.06 0.02 0.01 -0.03 0.01 0.04 -0.02 -0.00 0.04 -0.04 -0.03 0.07 -0.02 0.02 -0.01 0.01 0.01 -0.00 -0.00 0.03 0.00 -0.03 -0.05 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.04 -0.11 -0.03 0.22 0.14 -0.02 0.10 0.14 -0.07 -0.15 -0.09 -0.09 -0.22 -0.17 -0.06 -0.02 -0.05 0.01 -0.05 -0.10 -0.09 -0.11 -0.07 -0.08 0.05 0.02 -0.01 0.29 0.09 -0.01 0.32 0.07 -0.00 0.11 0.11 -0.10 0.06 0.08 -0.06 -0.05 -0.00 0.06 -0.06 0.01 0.09 -0.05 0.00 0.06 0.02 -0.04 0.00 0.07 -0.02 0.01 0.02 -0.07 0.01 0.03 -0.00 0.02 0.10 0.03 0.01 -0.01 0.05 0.02 0.10 0.12 0.00 0.10 0.07 -0.04 0.07 0.07 -0.03 -0.12 -0.05 0.05 -0.09 -0.02 0.04 -0.14 -0.10 0.06 -0.05 -0.08 0.12 -0.04 -0.07 0.07 -0.04 -0.08 0.11 0.00 -0.05 -0.01 -0.02 -0.07 -0.02 0.02 -0.03 -0.04 -0.19 0.18 -0.03 -0.21 0.16 -0.00 -0.20 0.14 0.01 -0.02 -0.03 0.02 -0.10 0.00 -0.00 0.05 -0.11 -0.01 0.03 -0.00 0.02 0.06 -0.07 0.01 0.02 -0.08 -0.00 -0.05 -0.03 0.00 0.19 0.10 -0.09 -0.16 -0.19 0.01 -0.24 -0.32 0.04 0.07 0.05 -0.03 0.13 0.01 -0.02 -0.11 -0.11 0.01 0.06 0.10 -0.08 -0.19 -0.11 0.02 -0.22 -0.11 0.14 0.19 0.08 -0.08 0.15 0.05 -0.03 -0.00 0.07 0.09 0.03 -0.01 0.05 -0.03 0.01 0.05 0.03 0.10 -0.04 0.00 0.14 0.05 0.03 0.01 -0.03 -0.04 -0.00 0.00 -0.09 -0.02 -0.00 -0.03 -0.03 -0.00 -0.01 0.22 -0.03 -0.02 0.13 -0.08 -0.03 0.21 -0.04 -0.08 -0.01 0.03 -0.08 -0.00 0.03 -0.10 -0.06 0.06 -0.04 -0.00 -0.15 -0.02 0.02 -0.14 -0.03 -0.02 -0.17 0.03 0.00 0.13 0.02 0.02 0.11 0.05 0.03 0.10 0.13 -0.11 0.02 0.13 -0.07 0.06 0.07 -0.12 0.00 0.04 -0.01 0.02 0.12 -0.02 -0.01 0.04 -0.05 0.05 0.04 -0.01 0.02 0.02 -0.06 -0.00 0.04 -0.02 -0.01 -0.08 0.20 -0.02 -0.11 0.08 -0.02 0.01 -0.05 0.10 -0.04 -0.10 0.12 -0.03 0.09 -0.09 -0.08 0.12 -0.11 0.04 -0.03 0.12 -0.03 0.07 -0.08 -0.08 0.21 -0.03 -0.17 0.25 -0.06 -0.12 0.15 -0.08 -0.06 0.19 -0.13 -0.01 0.01 -0.01 -0.02 0.05 -0.01 -0.00 0.02 0.00 -0.09 -0.14 0.06 -0.20 -0.16 0.03 -0.04 -0.08 0.04 0.22 -0.07 0.09 0.21 -0.08 0.08 0.20 -0.06 0.07 -0.07 0.06 -0.05 -0.07 0.01 -0.04 -0.04 0.10 -0.03 0.08 -0.19 -0.00 0.17 -0.16 -0.04 0.04 -0.27 -0.03 -0.05 0.03 0.02 -0.07 0.01 0.03 -0.05 0.06 -0.02 0.01 0.04 -0.03 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.08 -0.01 0.00 -0.04 -0.01 -0.03 -0.07 -0.03 0.10 -0.05 0.06 0.08 -0.03 0.05 0.05 -0.02 -0.01 0.12 -0.05 0.06 0.05 -0.02 0.02 -0.03 0.02 0.01 0.07 -0.09 0.01 -0.03 -0.08 0.05 0.07 -0.03 0.17 0.01 -0.06 0.20 0.01 0.22 -0.18 -0.09 0.29 -0.21 0.10 -0.03 0.22 0.01 0.16 -0.16 0.16 -0.07 0.01 0.22 -0.10 -0.03 -0.03 -0.11 0.07 -0.04 -0.12 0.07 -0.04 -0.08 -0.01 -0.05 -0.05 0.03 -0.03 -0.09 -0.01 0.00 0.04 -0.00 0.11 0.05 -0.02 -0.00 0.04 -0.00 -0.08 0.06 -0.05 -0.05 0.08 -0.06 -0.09 0.08 -0.04 -0.07 0.11 -0.01 -0.07 0.05 0.00 -0.03 0.14 -0.01 -0.01 0.10 -0.01 -0.05 0.09 0.01 0.03 0.17 -0.01 -0.03 -0.08 -0.03 -0.03 -0.08 -0.01 -0.02 -0.07 -0.09 0.00 -0.01 -0.03 0.00 -0.02 -0.02 -0.01 -0.03 -0.01 -0.13 -0.06 -0.04 -0.12 -0.03 -0.02 -0.15 -0.04 -0.07 0.18 -0.12 0.12 0.07 -0.07 0.09 -0.03 0.02 -0.01 0.26 -0.10 0.11 -0.04 0.00 -0.00 -0.10 -0.06 -0.04 -0.02 -0.05 -0.03 0.15 -0.08 -0.02 -0.03 0.02 -0.02 -0.06 0.06 0.00 -0.11 -0.00 -0.09 -0.17 -0.02 -0.18 -0.01 -0.00 0.02 0.00 0.02 -0.04 -0.12 0.07 -0.06 -0.19 0.12 -0.14 0.16 -0.16 0.09 0.07 -0.21 0.20 0.05 0.11 -0.03 0.07 0.07 -0.09 0.04 0.16 -0.00 0.05 -0.15 0.01 -0.03 -0.17 -0.02 -0.01 -0.11 0.03 0.14 -0.01 0.03 0.10 -0.02 0.08 0.17 -0.05 0.03 0.13 0.03 0.03 0.13 0.05 0.02 0.10 -0.03 0.00 -0.14 0.18 -0.07 -0.04 0.08 -0.04 -0.14 0.29 -0.23 -0.07 0.09 0.12 -0.09 0.06 0.12 -0.07 0.11 0.10 -0.01 -0.04 -0.01 0.00 -0.00 -0.04 -0.02 -0.02 -0.01 0.02 -0.03 0.00 0.04 0.03 -0.03 0.02 -0.02 -0.01 0.04 -0.04 0.05 0.05 -0.05 0.06 -0.08 -0.03 -0.01 0.05 -0.07 0.02 -0.12 -0.07 -0.07 -0.14 0.07 0.03 0.06 0.08 -0.02 0.07 -0.07 0.04 0.03 -0.00 -0.02 0.09 0.01 -0.05 0.23 0.01 0.07 0.34 0.00 0.19 -0.01 0.01 -0.06 0.15 0.01 0.02 0.04 0.16 -0.05 -0.07 0.22 -0.14 0.07 -0.09 0.01 0.05 -0.10 0.06 -0.06 -0.16 0.00 -0.09 -0.10 0.05 -0.08 -0.19 -0.01 -0.14 -0.01 -0.01 -0.18 -0.03 -0.04 -0.12 0.03 -0.02 0.12 -0.06 0.05 0.18 -0.03 0.07 0.06 -0.02 0.01 -0.01 0.04 0.08 -0.01 0.08 0.05 -0.05 0.00 0.06 0.03 0.09 -0.07 0.07 0.00 -0.06 0.02 0.13 -0.16 -0.10 -0.10 -0.16 -0.08 -0.07 -0.08 -0.07 -0.14 -0.21 -0.00 -0.04 0.13 0.01 -0.03 0.13 0.00 -0.01 0.10 -0.02 0.05 -0.01 -0.04 -0.05 0.01 -0.00 -0.05 0.08 -0.05 0.04 -0.04 -0.05 0.05 -0.06 -0.11 0.10 0.04 -0.02 0.07 -0.03 -0.16 0.01 -0.01 0.01 0.14 0.11 0.04 0.11 0.00 0.10 0.01 -0.04 -0.05 0.05 -0.04 -0.03 0.22 -0.04 -0.15 0.04 -0.07 -0.28 0.10 -0.14 -0.02 0.02 0.01 -0.11 0.00 -0.01 -0.04 0.12 -0.01 -0.08 0.14 0.00 0.10 0.03 -0.06 0.10 0.04 -0.01 -0.01 -0.04 -0.03 -0.03 0.02 -0.06 0.06 -0.02 -0.01 -0.03 0.17 -0.13 -0.08 0.17 -0.12 -0.02 0.19 -0.16 -0.06 -0.21 0.08 0.03 -0.18 0.13 -0.15 -0.18 -0.01 0.04 -0.08 -0.00 0.04 0.02 0.04 0.02 -0.13 -0.03 -0.01 0.00 -0.01 -0.01 -0.07 0.02 -0.05 -0.09 0.01 0.21 -0.04 0.02 0.20 -0.06 -0.14 0.15 0.01 0.10 -0.04 -0.15 0.11 -0.02 -0.09 0.07 -0.04 -0.11 0.09 -0.03 -0.01 -0.01 -0.03 -0.02 -0.01 -0.01 0.04 -0.05 0.07 -0.06 0.06 0.02 -0.04 0.06 -0.06 0.11 0.06 0.11 -0.07 0.04 -0.02 0.13 0.05 0.04 0.04 0.03 -0.02 -0.02 -0.03 -0.08 -0.08 0.07 0.12 -0.18 0.17 0.13 -0.42 0.15 -0.05 -0.16 0.05 0.02 -0.27 -0.01 0.07 -0.08 0.08 -0.05 -0.03 -0.04 -0.01 0.07 -0.04 -0.02 0.08 -0.13 -0.07 -0.09 0.07 -0.08 -0.10 0.08 0.03 -0.03 -0.07 0.02 0.02 -0.07 0.05 0.01 -0.03 0.01 0.04 -0.05 -0.04 0.05 -0.03 -0.00 0.04 -0.05 -0.02 -0.10 0.03 0.04 -0.09 0.07 -0.05 -0.09 0.00 -0.07 0.19 -0.17 -0.07 0.09 -0.14 -0.01 0.34 -0.08 -0.09 0.06 -0.01 -0.05 0.00 0.01 -0.09 0.09 -0.07 0.10 0.02 0.08 0.11 0.02 0.01 0.09 0.01 0.14 0.06 0.03 0.01 0.06 0.02 0.02 0.07 -0.01 0.03 -0.01 0.07 0.00 -0.01 0.03 -0.04 0.01 -0.02 0.09 -0.06 0.05 -0.10 -0.05 0.05 -0.09 0.04 0.03 0.03 -0.17 0.07 -0.05 0.04 0.05 0.02 -0.02 -0.04 -0.06 -0.02 0.07 -0.00 -0.05 -0.01 -0.03 0.02 0.04 0.02 0.03 0.04 0.01 0.09 0.02 0.01 0.14 0.03 0.07 0.01 0.04 0.01 0.06 0.00 -0.00 -0.01 0.12 -0.02 -0.00 0.12 -0.07 -0.05 -0.00 -0.03 -0.04 0.01 0.02 0.02 0.05 0.01 0.02 0.04 0.01 -0.02 0.07 -0.00 0.29 0.06 -0.01 0.53 0.08 -0.02 0.15 0.01 0.03 -0.15 -0.25 0.09 -0.03 -0.21 0.15 -0.24 -0.23 0.00 -0.02 -0.00 0.06 -0.02 -0.02 0.04 -0.02 -0.01 0.05 0.05 0.00 0.01 -0.04 -0.07 0.05 0.10 0.11 0.02 -0.21 -0.01 0.02 -0.16 0.06 0.15 -0.12 -0.07 -0.10 -0.02 0.02 -0.07 -0.01 0.02 -0.07 -0.04 0.01 -0.05 -0.01 -0.04 -0.01 -0.00 0.00 -0.02 -0.04 -0.09 0.02 0.01 0.03 -0.02 0.03 0.03 -0.02 -0.00 -0.03 -0.05 0.01 0.03 -0.02 -0.03 -0.07 -0.08 0.12 -0.04 0.01 0.02 0.01 0.01 0.04 -0.01 -0.07 -0.06 0.08 0.08 -0.11 0.04 0.11 0.02 -0.05 0.08 0.00 -0.04 0.07 0.01 0.17 0.10 -0.00 -0.04 0.07 0.06 0.05 -0.00 0.10 0.03 -0.05 0.04 -0.05 0.00 -0.00 -0.08 0.05 -0.13 0.08 0.11 -0.14 0.11 0.08 -0.05 0.00 0.06 -0.08 0.03 0.03 -0.18 0.04 0.08 -0.01 0.01 0.02 0.03 -0.02 -0.01 0.05 -0.01 0.00 0.04 0.01 0.02 0.02 -0.05 -0.02 0.02 -0.07 -0.04 0.01 0.02 0.05 -0.10 0.04 -0.00 -0.05 0.02 0.00 -0.12 0.04 -0.06 0.06 -0.05 -0.02 0.07 -0.04 -0.07 0.04 -0.05 0.02 -0.04 -0.02 -0.13 -0.06 -0.03 -0.15 -0.06 -0.06 -0.10 -0.06 -0.26 -0.06 -0.05 -0.16 0.04 -0.23 -0.34 -0.06 0.13 0.26 -0.08 0.23 0.24 -0.06 0.07 -0.08 -0.02 -0.00 0.24 -0.07 0.13 0.03 0.04 0.10 -0.12 -0.03 -0.06 -0.02 -0.02 -0.05 -0.02 0.01 0.00 -0.01 -0.08 -0.06 -0.06 -0.05 0.01 0.06 -0.01 -0.01 0.10 0.02 0.01 -0.04 -0.06 -0.01 0.02 0.02 -0.04 0.05 -0.04 -0.09 0.09 -0.13 -0.04 -0.07 0.05 -0.08 -0.09 0.08 -0.01 0.02 0.09 -0.01 0.01 0.07 0.01 -0.03 0.05 -0.08 0.11 0.08 -0.11 0.16 0.20 0.01 -0.00 0.09 0.01 -0.08 0.04 0.08 -0.06 0.04 -0.02 -0.02 0.05 -0.01 -0.03 0.01 -0.01 -0.10 0.01 0.03 -0.03 0.00 -0.06 0.04 -0.02 -0.03 -0.01 -0.01 -0.03 0.16 -0.12 0.08 -0.08 -0.07 0.07 -0.09 -0.10 0.05 -0.05 -0.05 0.05 0.12 -0.12 0.02 0.07 -0.09 0.06 0.11 -0.13 0.04 0.05 0.06 0.02 0.04 0.14 0.13 0.54 -0.32 -0.05 -0.09 0.04 -0.13 -0.08 0.06 0.11 -0.13 -0.03 0.01 -0.08 0.04 0.11 -0.09 -0.00 0.31 0.15 0.05 0.01 -0.01 -0.02 0.02 -0.02 0.04 0.00 0.00 -0.04 0.03 0.09 -0.05 0.03 0.09 0.06 0.09 0.13 0.18 0.01 -0.02 -0.03 -0.05 0.03 0.06 0.00 0.01 -0.02 -0.03 0.03 -0.04 0.03 -0.04 0.03 0.01 -0.05 0.04 -0.00 -0.04 -0.03 -0.00 -0.04 -0.01 -0.05 -0.01 -0.01 0.04 -0.11 -0.09 0.01 -0.16 -0.19 0.11 0.01 -0.14 0.03 -0.01 -0.07 0.02 -0.01 -0.03 0.06 -0.03 -0.04 -0.12 -0.09 -0.05 -0.12 -0.08 -0.03 -0.10 -0.08 -0.04 -0.19 0.02 0.07 -0.09 0.05 0.06 -0.29 -0.17 0.04 -0.15 0.05 -0.01 -0.16 0.05 0.01 -0.13 0.05 -0.07 0.02 -0.02 0.06 0.01 -0.02 0.05 0.04 -0.03 0.04 0.01 0.01 0.02 0.01 0.01 0.01 0.07 0.19 -0.10 -0.01 -0.04 0.03 -0.04 -0.03 0.04 0.16 0.07 0.04 0.00 -0.02 0.05 0.34 0.32 0.09 -0.05 0.01 0.01 0.02 0.02 0.01 0.01 -0.00 -0.00 0.02 -0.02 0.01 0.01 -0.04 0.01 -0.00 -0.02 0.00 0.03 -0.04 0.01 0.04 0.02 0.00 0.01 0.00 -0.01 0.02 0.00 0.01 0.07 -0.02 0.03 0.01 0.01 -0.02 0.02 0.01 -0.02 -0.05 -0.01 -0.01 -0.05 0.00 -0.00 -0.04 -0.00 -0.00 0.02 -0.02 -0.02 0.02 -0.03 -0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.03 -0.01 0.01 0.02 -0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.02 0.02 -0.01 0.04 0.00 -0.02 0.03 0.01 -0.02 0.04 0.01 -0.02 -0.04 0.00 -0.04 -0.02 -0.02 -0.01 -0.05 -0.01 0.00 -0.07 0.07 -0.00 0.01 0.17 0.12 0.74 -0.58 0.02 0.03 -0.02 -0.07 0.03 0.07 -0.04 0.02 0.01 -0.05 0.01 -0.02 -0.05 -0.00 -0.00 0.01 -0.06 -0.10 0.06 -0.04 -0.10 -0.05 0.05 0.21 -0.12 -0.01 -0.07 -0.21 -0.09 -0.03 -0.06 -0.00 0.02 -0.22 0.04 -0.11 -0.05 0.03 -0.06 -0.04 -0.00 0.04 0.04 -0.01 -0.09 -0.01 0.01 -0.11 -0.02 0.01 0.08 -0.04 0.00 0.04 -0.01 -0.21 -0.14 -0.03 -0.14 -0.12 -0.01 -0.15 -0.07 0.06 0.01 0.07 0.11 0.04 0.13 0.07 -0.07 0.09 -0.02 -0.03 0.04 0.01 -0.02 -0.00 -0.04 0.00 0.05 0.05 -0.07 -0.02 0.05 -0.04 -0.04 0.02 -0.06 0.00 -0.01 -0.01 -0.01 -0.03 -0.03 -0.00 0.02 0.08 -0.04 0.03 0.11 -0.03 0.01 0.08 0.02 0.00 0.09 0.07 0.10 0.24 0.22 0.05 0.14 0.31 0.15 0.29 0.12 -0.10 -0.10 -0.03 -0.09 -0.09 -0.04 -0.06 0.04 -0.13 0.07 0.11 0.04 0.04 0.12 0.05 0.05 -0.00 0.02 0.08 0.11 0.03 0.00 -0.06 -0.10 -0.03 0.01 0.11 -0.09 -0.07 -0.14 -0.03 0.02 0.07 -0.08 0.01 -0.02 -0.18 -0.12 0.02 0.07 -0.01 -0.01 0.10 -0.00 0.04 -0.03 0.06 -0.01 0.05 -0.03 -0.01 -0.09 -0.06 -0.12 -0.17 -0.02 -0.12 -0.05 0.08 0.13 0.01 0.12 0.10 0.26 0.08 -0.02 0.31 -0.03 -0.06 0.20 0.11 -0.03 -0.07 0.01 -0.09 -0.04 0.00 -0.12 -0.10 0.04 -0.09 0.03 -0.03 -0.07 0.03 -0.03 -0.10 0.00 -0.02 -0.10 -0.00 0.00 0.06 -0.00 0.01 0.05 -0.02 0.01 0.07 0.04 0.01 0.07 0.06 0.01 0.07 0.01 -0.04 0.06 -0.04 -0.15 0.06 -0.05 -0.15 0.02 -0.03 -0.11 -0.03 0.12 -0.03 -0.03 0.14 -0.00 -0.03 0.11 0.03 -0.04 -0.18 -0.03 -0.01 -0.15 0.12 -0.01 -0.17 0.28 -0.27 0.04 0.08 -0.02 -0.03 0.09 0.02 -0.01 0.00 0.06 0.03 0.07 -0.03 -0.02 -0.01 0.13 -0.08 -0.06 0.11 -0.02 0.06 -0.13 -0.03 0.05 0.05 0.00 -0.00 -0.03 -0.06 -0.09 -0.00 -0.02 -0.01 -0.03 -0.09 -0.00 -0.10 -0.00 -0.03 -0.02 0.01 0.00 -0.02 0.05 0.03 -0.11 0.13 -0.02 -0.09 -0.04 0.07 0.07 -0.03 0.07 0.18 -0.19 -0.01 0.04 -0.21 0.05 0.03 -0.15 -0.02 0.04 0.00 -0.04 -0.09 -0.10 -0.02 -0.02 -0.09 -0.08 -0.06 0.05 -0.14 -0.25 0.06 -0.12 -0.23 0.06 -0.14 -0.23 0.03 0.01 0.01 0.03 -0.05 0.02 0.06 0.01 0.00 0.08 0.09 0.25 0.07 0.09 0.27 0.10 0.17 0.19 0.01 0.07 -0.02 0.02 0.09 -0.05 0.00 0.05 0.04 0.04 0.04 -0.03 -0.04 0.02 -0.03 0.07 0.04 -0.08 0.12 -0.00 0.00 0.10 -0.07 0.02 0.08 -0.21 0.16 -0.03 -0.02 0.04 0.03 -0.03 0.00 -0.05 -0.06 0.09 0.00 -0.03 0.02 -0.04 -0.03 0.19 -0.08 0.00 0.19 -0.05 -0.02 0.14 -0.12 -0.15 -0.05 -0.06 -0.06 -0.10 -0.18 -0.13 -0.03 -0.04 0.08 0.08 -0.01 0.06 0.09 0.00 -0.07 -0.06 -0.05 0.09 0.08 0.02 0.03 0.12 0.15 -0.04 0.05 -0.12 -0.12 -0.09 -0.09 -0.10 -0.13 -0.04 0.03 0.06 -0.07 0.10 0.17 -0.07 0.01 0.04 0.02 -0.03 -0.18 0.07 -0.04 -0.20 -0.03 -0.01 -0.17 -0.02 0.06 0.09 -0.04 0.06 0.12 -0.05 0.00 -0.02 0.09 -0.04 -0.10 0.09 0.01 -0.06 0.08 -0.06 -0.11 0.03 -0.00 -0.10 0.04 0.03 -0.13 0.06 0.07 -0.12 -0.05 0.03 -0.00 -0.05 0.02 -0.06 -0.07 0.04 0.03 0.25 0.03 -0.05 0.21 0.04 -0.07 0.27 0.06 -0.09 0.01 -0.03 -0.01 0.01 -0.03 0.01 -0.04 -0.16 0.07 -0.02 0.04 0.10 0.03 0.04 0.05 0.01 0.02 0.14 -0.04 0.07 0.12 -0.11 -0.12 0.12 0.07 0.02 0.05 -0.00 0.02 0.09 -0.05 -0.07 -0.02 -0.08 0.06 -0.02 -0.14 -0.17 -0.00 0.08 -0.18 -0.23 -0.15 -0.07 -0.37 -0.08 0.11 -0.05 0.11 -0.21 -0.21 0.01 0.03 0.08 0.12 -0.03 0.07 -0.04 -0.07 -0.07 -0.05 -0.07 -0.07 -0.03 -0.01 -0.02 -0.06 0.06 0.04 -0.03 0.01 0.01 0.01 -0.01 -0.06 -0.23 -0.03 -0.03 0.03 0.02 -0.07 -0.01 0.03 0.02 -0.07 0.01 0.06 0.04 -0.04 0.03 -0.15 0.04 0.26 -0.14 -0.00 0.24 -0.13 0.06 0.26 -0.02 0.01 -0.03 -0.01 0.03 -0.04 -0.01 0.02 -0.03 0.04 0.05 0.04 0.07 0.09 -0.01 0.07 0.01 0.02 0.10 0.05 0.02 0.08 0.04 0.02 0.11 0.10 -0.02 0.03 -0.00 0.01 0.02 -0.01 0.01 0.03 0.02 -0.01 -0.00 0.00 -0.04 -0.00 -0.01 -0.01 0.08 0.01 0.03 0.14 -0.07 -0.14 0.07 -0.00 0.04 -0.01 -0.05 -0.03 -0.06 0.15 0.26 -0.02 -0.10 -0.19 0.01 -0.00 0.02 0.07 0.05 -0.01 -0.01 0.01 0.04 -0.07 0.02 -0.02 -0.00 0.01 -0.00 -0.01 0.02 0.04 -0.07 0.09 0.26 -0.20 0.16 0.28 -0.00 -0.14 -0.26 -0.05 -0.15 -0.08 0.19 -0.08 -0.01 0.18 -0.07 0.09 0.11 -0.07 -0.02 -0.02 -0.01 0.05 -0.08 0.01 0.10 -0.05 -0.05 0.06 0.03 -0.06 -0.21 0.08 -0.03 -0.02 0.07 -0.08 -0.15 0.02 -0.01 -0.03 0.02 -0.04 -0.05 0.04 0.01 -0.02 0.00 0.09 0.17 -0.02 0.16 0.16 0.03 0.15 0.18 0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.04 0.00 -0.05 0.07 0.02 0.06 0.06 0.05 -0.09 0.08 0.09 -0.12 0.01 -0.01 -0.11 0.03 -0.03 -0.07 0.12 -0.09 0.03 0.02 -0.01 -0.04 0.04 -0.00 -0.02 -0.05 -0.01 0.04 0.04 -0.00 0.03 0.02 0.05 0.03 -0.13 0.16 0.05 -0.04 0.01 0.04 0.00 0.05 0.00 0.09 0.07 -0.18 -0.35 0.13 0.00 0.00 0.02 -0.02 0.03 0.03 -0.03 0.06 0.06 0.02 -0.03 0.06 0.02 -0.02 0.00 -0.29 0.15 -0.06 0.05 0.01 0.00 0.08 0.02 -0.09 0.02 -0.04 -0.02 0.05 -0.13 -0.07 -0.00 -0.04 -0.01 -0.02 -0.02 -0.12 0.27 0.03 -0.07 -0.03 -0.11 -0.11 -0.00 0.02 0.05 0.12 0.06 0.07 -0.14 0.07 -0.09 0.03 -0.02 -0.01 0.02 -0.19 0.02 0.15 0.17 0.09 0.02 0.01 -0.06 0.05 0.03 -0.07 -0.07 -0.23 0.03 -0.01 0.03 -0.01 -0.04 0.01 -0.03 -0.03 0.05 0.01 -0.15 0.11 -0.01 -0.16 0.09 -0.00 -0.12 0.16 -0.08 -0.00 0.03 0.01 -0.00 0.03 -0.00 0.01 0.04 -0.00 0.03 -0.06 -0.08 -0.01 -0.05 -0.07 -0.06 -0.17 0.18 0.03 -0.05 -0.08 0.03 0.01 0.14 -0.01 0.04 -0.00 -0.06 -0.03 -0.05 -0.00 0.06 -0.05 -0.05 0.02 0.04 -0.04 0.15 0.04 -0.06 -0.03 -0.05 0.36 -0.17 0.28 -0.01 0.02 0.08 -0.05 -0.03 -0.04 -0.02 -0.02 -0.04 -0.14 0.05 -0.10 -0.00 0.02 0.04 -0.05 -0.00 0.10 0.07 -0.14 0.24 0.06 -0.13 0.19 0.07 -0.15 0.24 0.03 -0.03 -0.00 0.14 -0.05 -0.07 0.03 0.01 -0.01 -0.01 -0.01 0.02 0.02 0.00 -0.01 -0.03 0.02 0.01 -0.00 -0.00 0.01 -0.00 0.08 0.02 -0.05 -0.04 -0.00 -0.01 -0.03 -0.00 -0.00 -0.04 0.00 0.08 0.23 -0.12 0.04 0.21 -0.11 0.01 0.16 -0.01 0.05 0.24 -0.19 0.04 -0.06 -0.08 0.08 -0.14 -0.02 0.00 -0.07 -0.01 -0.08 0.06 -0.02 -0.12 -0.01 0.07 -0.12 0.00 0.01 0.05 -0.03 -0.05 0.02 -0.03 0.00 0.03 0.03 -0.07 -0.13 -0.05 -0.02 -0.02 -0.07 -0.03 -0.00 0.01 -0.03 0.00 -0.04 0.03 0.00 -0.09 0.03 0.01 -0.01 -0.03 -0.04 -0.01 -0.01 -0.03 -0.01 -0.05 0.34 -0.15 0.20 0.04 -0.02 -0.01 -0.01 0.01 -0.05 0.02 -0.01 0.03 -0.29 0.16 -0.09 -0.01 -0.01 -0.01 0.08 0.04 -0.10 -0.03 0.03 -0.01 -0.02 -0.02 -0.05 -0.00 0.01 -0.02 -0.05 -0.00 0.03 0.58 0.02 -0.07 -0.06 -0.03 0.04 0.01 -0.02 -0.01 0.22 0.06 0.01 -0.16 0.11 -0.11 -0.01 0.01 0.03 -0.01 0.00 0.02 -0.02 -0.03 -0.00 0.00 0.03 0.00 -0.00 0.04 0.00 -0.12 -0.30 0.15 0.03 -0.00 0.02 -0.01 -0.05 0.12 0.04 0.03 -0.07 0.03 -0.01 0.01 -0.01 0.00 -0.01 0.05 -0.00 -0.03 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.02 -0.04 0.00 -0.00 0.02 0.03 0.05 -0.00 0.07 -0.03 0.01 0.00 -0.14 -0.01 0.04 0.02 0.10 0.02 0.03 -0.03 0.05 0.02 0.04 -0.00 -0.01 0.14 -0.05 -0.01 -0.03 0.00 0.15 0.37 -0.05 -0.02 0.00 -0.03 0.39 -0.16 0.24 0.02 -0.03 0.03 -0.01 0.04 -0.05 -0.00 -0.00 0.01 0.07 -0.04 0.07 0.02 0.01 -0.02 -0.13 -0.08 0.13 -0.01 0.01 -0.06 -0.02 0.02 -0.06 0.01 0.02 -0.04 -0.03 0.00 -0.03 0.11 0.01 -0.05 0.00 -0.01 -0.04 0.01 0.01 0.00 -0.02 -0.00 -0.03 -0.01 0.01 -0.02 -0.00 0.01 0.02 -0.01 0.07 0.01 -0.05 -0.10 -0.06 -0.01 -0.04 0.01 0.02 -0.04 0.01 0.18 0.52 -0.26 0.00 -0.03 0.04 -0.00 -0.03 0.02 0.02 0.00 -0.07 -0.03 0.06 0.01 -0.03 0.04 0.02 -0.05 -0.04 0.08 0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 0.01 -0.00 0.05 -0.02 0.05 0.09 -0.01 0.04 -0.15 -0.02 0.03 -0.00 -0.15 -0.00 0.02 -0.06 0.06 0.02 -0.03 -0.02 0.04 -0.01 0.01 0.14 -0.11 -0.12 0.39 0.33 -0.21 0.02 -0.03 -0.04 -0.14 -0.04 -0.24 0.12 -0.11 -0.16 0.01 0.05 -0.10 0.00 -0.01 -0.02 -0.16 0.08 -0.06 0.03 0.02 0.02 0.08 0.04 -0.06 0.05 -0.04 0.05 0.07 -0.10 0.01 0.02 -0.04 0.05 0.03 -0.01 -0.05 -0.24 0.01 0.06 0.02 -0.05 -0.05 -0.01 0.01 0.02 -0.00 0.02 0.06 0.00 -0.01 0.02 -0.03 0.06 0.04 -0.03 -0.02 0.05 0.00 -0.09 -0.09 0.01 0.01 -0.03 0.00 0.02 -0.04 -0.07 -0.25 0.10 0.01 0.05 -0.02 0.02 0.06 -0.08 -0.00 0.04 0.02 -0.12 0.03 -0.05 -0.10 0.01 -0.04 -0.12 -0.05 0.00 -0.06 -0.04 -0.02 -0.06 -0.04 -0.03 -0.06 -0.07 -0.00 -0.07 0.13 0.19 -0.02 0.13 0.14 -0.02 -0.07 0.07 0.02 0.14 0.16 0.03 0.01 0.07 0.01 0.03 0.00 -0.00 -0.00 -0.00 -0.01 0.09 -0.04 0.01 -0.01 -0.00 0.04 -0.06 -0.03 0.04 -0.02 0.03 -0.43 0.14 -0.32 -0.02 0.01 -0.04 0.03 -0.03 0.03 0.01 -0.02 0.01 -0.23 0.11 -0.04 0.01 0.01 -0.01 -0.09 -0.04 0.10 -0.00 0.02 0.01 0.02 -0.04 -0.00 -0.01 -0.01 -0.02 -0.04 -0.01 0.01 0.48 -0.00 -0.11 -0.03 -0.01 0.00 0.01 -0.00 0.00 0.14 0.05 -0.01 -0.12 0.09 -0.07 -0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.03 0.01 -0.01 -0.04 0.02 0.01 -0.04 0.01 0.13 0.39 -0.19 0.01 0.02 -0.02 -0.04 -0.04 0.09 -0.04 -0.00 0.12 0.00 -0.02 -0.00 -0.00 -0.02 -0.01 -0.00 -0.04 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.02 0.01 0.01 -0.04 0.03 -0.03 0.04 0.03 -0.02 0.17 0.03 -0.03 -0.01 -0.06 -0.03 -0.01 -0.02 0.01 -0.02 -0.05 0.01 0.00 -0.06 -0.01 -0.08 -0.04 0.06 0.29 0.72 -0.07 0.02 -0.01 0.03 -0.20 0.02 -0.19 -0.06 -0.01 0.07 0.04 0.04 0.01 0.01 -0.01 0.00 -0.10 0.06 -0.08 -0.01 -0.00 0.01 0.06 0.04 -0.07 -0.01 0.00 -0.00 -0.01 -0.01 0.02 -0.03 -0.01 -0.02 -0.00 -0.00 -0.01 0.05 0.02 0.03 -0.02 -0.05 -0.00 -0.00 -0.00 0.00 0.07 0.02 0.03 -0.04 0.03 -0.03 0.01 0.02 0.00 0.01 0.07 -0.08 -0.11 -0.16 -0.09 0.01 0.03 -0.01 -0.01 0.03 -0.01 -0.08 -0.26 0.14 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.02 0.09 0.04 0.03 -0.02 0.08 0.03 -0.01 -0.02 -0.09 0.14 0.01 0.01 0.01 0.01 0.02 0.02 0.01 0.05 -0.02 0.02 -0.03 -0.07 0.00 -0.02 -0.07 0.02 0.00 0.04 0.06 -0.02 -0.06 0.01 0.01 0.04 0.01 -0.02 0.00 -0.05 0.06 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.04 0.04 -0.02 0.00 -0.01 0.00 -0.06 0.01 -0.06 -0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.06 0.03 -0.01 0.64 -0.36 0.16 0.01 -0.01 0.01 0.02 0.00 0.01 0.02 -0.02 0.01 -0.05 0.16 0.06 0.08 -0.03 0.01 -0.04 0.01 0.00 0.46 0.01 -0.12 -0.06 0.01 0.01 0.03 -0.00 0.02 -0.12 -0.07 -0.15 -0.02 -0.03 -0.07 -0.00 0.01 0.00 -0.00 -0.04 0.00 0.02 0.01 -0.00 -0.00 0.02 -0.00 0.08 -0.02 -0.00 -0.11 -0.18 -0.03 0.01 0.01 -0.02 -0.05 -0.05 0.10 -0.02 0.03 0.01 -0.02 0.01 -0.01 0.03 0.01 0.00 -0.04 0.02 0.02 -0.01 0.01 -0.00 -0.02 -0.05 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.00 -0.04 -0.03 0.01 0.03 0.01 0.00 0.03 0.07 0.04 -0.00 0.00 0.00 -0.00 -0.02 0.01 -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 0.03 0.02 0.03 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.02 -0.01 0.02 0.01 -0.02 0.05 0.05 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.04 0.03 -0.01 -0.01 0.02 -0.04 -0.01 -0.00 0.01 -0.30 -0.53 0.69 0.12 0.21 0.02 0.00 -0.01 -0.26 0.07 0.07 0.01 0.00 -0.01 0.03 0.04 0.02 -0.00 -0.01 0.00 -0.00 0.03 -0.01 0.01 0.08 -0.03 -0.01 0.02 0.01 0.01 0.01 -0.00 -0.11 -0.02 0.06 0.00 0.01 0.01 0.07 -0.23 -0.21 0.06 -0.01 0.05 0.15 0.21 -0.05 -0.00 -0.00 -0.00 0.00 -0.01 0.11 -0.00 -0.00 -0.01 -0.04 -0.02 0.11 0.01 -0.00 0.00 0.02 -0.05 0.02 -0.04 0.00 -0.00 0.01 -0.01 -0.02 0.02 0.21 0.45 0.03 -0.39 0.04 -0.00 0.01 0.01 0.03 0.01 -0.10 -0.13 0.04 -0.14 -0.01 -0.01 0.01 -0.01 -0.05 -0.09 -0.05 -0.08 -0.03 0.00 -0.00 0.01 0.19 -0.07 0.01 -0.10 -0.03 -0.23 -0.00 -0.00 0.00 -0.04 -0.04 -0.28 -0.12 0.08 0.17 0.01 -0.01 -0.00 -0.03 0.01 -0.03 0.03 -0.01 -0.05 -0.00 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.07 0.04 0.11 -0.11 0.00 0.03 0.01 0.17 0.00 -0.01 0.01 -0.01 0.00 0.04 -0.01 -0.01 0.04 -0.04 -0.01 -0.01 0.01 0.20 -0.02 -0.11 -0.00 -0.02 -0.02 -0.08 0.37 0.36 -0.11 0.05 -0.12 -0.20 -0.35 0.11 0.00 -0.00 0.00 -0.02 0.01 0.05 -0.00 -0.00 -0.00 -0.05 -0.03 0.09 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.03 0.02 0.00 -0.01 -0.02 -0.00 0.12 0.27 -0.04 -0.23 0.03 -0.00 0.01 0.01 0.02 0.01 -0.06 -0.11 0.02 -0.13 0.02 0.01 -0.01 0.02 0.08 0.02 -0.01 0.12 0.09 0.00 0.00 0.01 0.18 -0.05 0.00 -0.11 -0.09 -0.19 -0.01 -0.00 0.02 0.09 0.12 -0.02 0.12 -0.06 -0.21 0.01 -0.00 -0.01 0.03 -0.00 -0.00 -0.02 -0.04 0.06 0.00 -0.00 0.00 0.00 0.02 0.01 -0.03 0.00 -0.02 -0.01 0.01 0.01 0.02 -0.00 0.01 -0.00 0.03 0.04 0.19 -0.04 -0.09 0.02 0.07 0.05 -0.01 -0.02 -0.01 0.18 0.29 -0.09 -0.03 0.01 0.12 -0.00 -0.01 0.00 -0.05 0.11 0.04 -0.00 0.00 0.00 -0.02 -0.02 -0.03 0.05 -0.03 0.05 -0.01 0.03 -0.02 0.02 -0.01 -0.02 -0.22 0.09 0.40 -0.01 -0.02 -0.01 -0.06 -0.04 0.16 -0.01 0.01 0.01 0.05 -0.14 -0.11 -0.01 -0.00 -0.00 0.01 0.01 0.02 -0.06 -0.13 -0.26 -0.07 0.24 -0.01 -0.02 0.01 0.01 -0.16 -0.06 -0.11 0.05 -0.06 0.03 0.00 0.01 0.00 -0.00 -0.11 0.02 0.07 -0.01 -0.04 0.01 0.01 0.01 0.28 -0.10 0.01 -0.17 -0.14 -0.32 0.00 0.00 -0.01 0.03 0.03 0.17 0.05 -0.07 -0.02 0.01 0.00 0.00 -0.04 -0.04 0.02 0.04 0.02 -0.06 -0.00 -0.00 0.00 0.01 0.01 -0.03 0.03 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.06 -0.06 -0.05 -0.03 0.02 0.02 0.06 0.12 0.14 0.01 0.01 0.01 0.20 0.31 -0.10 0.00 -0.17 0.23 0.00 -0.00 0.00 -0.05 0.03 0.03 0.01 -0.01 -0.00 -0.04 0.09 0.06 0.05 0.02 0.03 -0.03 -0.08 0.03 -0.00 0.00 -0.03 -0.05 -0.02 0.48 -0.01 -0.02 0.00 0.14 0.07 -0.09 -0.00 0.00 0.01 0.05 -0.12 -0.13 0.02 0.01 0.02 -0.01 -0.00 -0.01 0.11 0.07 0.11 0.06 -0.13 -0.01 0.02 -0.01 0.01 -0.06 -0.04 -0.10 0.03 -0.00 0.03 0.00 -0.00 -0.00 0.00 0.19 -0.02 -0.12 -0.05 0.01 -0.01 0.00 -0.02 -0.28 0.05 0.01 0.15 0.09 0.32 0.00 0.00 0.00 -0.02 -0.02 -0.08 -0.02 0.05 -0.02 -0.00 0.01 -0.01 -0.12 -0.01 -0.03 0.06 -0.06 -0.10 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.08 0.06 0.05 0.04 -0.00 -0.02 -0.07 -0.15 -0.15 -0.00 -0.00 0.01 0.03 0.10 -0.04 0.00 -0.01 -0.04 -0.03 0.01 0.02 0.45 -0.24 -0.27 -0.01 0.01 0.00 0.12 -0.14 -0.04 -0.30 0.14 -0.30 0.16 0.07 0.05 0.01 -0.00 -0.01 -0.07 0.02 0.13 -0.01 -0.00 0.00 0.00 0.00 0.05 -0.01 0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.04 -0.08 0.06 0.08 -0.01 -0.00 -0.00 -0.00 -0.03 -0.02 -0.05 0.05 0.02 0.09 -0.00 -0.01 -0.00 -0.00 -0.09 -0.11 -0.03 0.17 0.15 0.00 0.00 -0.00 -0.03 -0.03 0.01 0.00 -0.02 0.03 0.01 -0.00 -0.00 -0.12 -0.15 -0.13 -0.15 0.16 0.14 0.01 0.00 -0.02 0.11 -0.00 0.01 -0.07 -0.03 0.16 -0.00 -0.00 -0.00 0.01 0.03 -0.05 0.03 0.00 0.01 0.01 0.01 0.02 0.09 -0.06 0.16 -0.02 -0.01 -0.01 0.02 -0.17 -0.13 -0.02 0.00 -0.02 0.00 0.02 -0.00 -0.07 0.05 -0.02 0.07 -0.30 0.08 -0.02 -0.01 0.00 0.07 0.14 -0.03 0.00 -0.00 0.00 0.01 0.01 0.02 -0.05 -0.06 0.01 -0.09 0.01 -0.06 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.00 0.26 0.16 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.07 -0.05 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.03 0.07 0.05 -0.05 -0.01 0.00 -0.00 0.00 0.03 0.00 -0.06 -0.01 0.05 0.03 -0.01 0.01 -0.00 -0.01 -0.47 0.28 0.47 0.17 -0.06 -0.01 -0.02 -0.00 -0.09 -0.04 0.02 0.10 0.19 0.01 -0.00 0.00 0.01 0.04 0.05 -0.03 0.04 -0.04 -0.03 0.01 -0.01 -0.00 0.09 0.04 -0.01 -0.03 0.12 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 0.01 0.00 0.01 0.00 -0.00 0.01 0.01 -0.03 -0.19 -0.06 0.02 -0.02 0.03 0.03 -0.03 0.17 -0.09 -0.00 0.02 -0.00 0.20 -0.01 0.00 -0.12 0.50 -0.08 -0.01 -0.00 0.00 0.03 0.05 -0.02 0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.03 -0.04 0.00 -0.05 0.04 -0.06 -0.01 0.01 -0.01 -0.02 -0.00 0.12 0.01 -0.01 0.02 -0.42 -0.27 -0.13 -0.00 0.00 0.00 0.02 -0.06 -0.09 0.01 0.03 0.03 -0.01 -0.00 -0.00 0.06 0.05 0.10 -0.03 -0.09 0.02 0.01 0.00 -0.00 -0.05 -0.01 0.12 0.03 -0.10 -0.07 -0.01 0.00 -0.00 -0.00 -0.22 0.21 0.28 0.09 -0.05 0.01 0.00 -0.02 -0.12 0.17 -0.05 0.06 -0.08 0.25 -0.00 -0.00 -0.00 0.01 0.02 -0.03 0.01 -0.01 -0.02 0.01 -0.01 -0.00 0.02 -0.10 0.06 -0.01 0.01 0.03 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.02 -0.02 -0.01 -0.06 -0.03 0.02 0.02 0.01 0.01 0.03 -0.01 -0.00 0.00 0.02 -0.05 0.02 -0.02 0.06 0.03 0.00 -0.01 -0.00 -0.11 0.15 0.07 0.02 -0.02 -0.01 -0.04 0.17 0.15 0.10 -0.03 0.08 -0.05 -0.17 0.06 0.00 -0.00 0.01 -0.02 0.01 -0.05 0.00 0.00 -0.01 -0.06 -0.03 0.03 -0.01 -0.00 -0.00 -0.05 0.14 -0.17 0.21 0.02 0.06 0.01 0.01 0.01 -0.02 -0.04 -0.07 0.14 0.07 -0.03 -0.01 -0.00 -0.01 0.04 0.02 0.00 0.04 0.07 0.14 -0.00 0.01 -0.00 -0.00 -0.08 0.04 0.07 0.04 -0.01 0.01 0.00 0.01 0.05 -0.06 0.02 -0.04 -0.04 -0.07 0.01 -0.00 0.01 -0.30 -0.37 -0.29 -0.28 0.45 -0.00 0.01 0.00 0.00 -0.07 -0.04 0.02 0.05 0.01 -0.09 0.00 0.01 -0.00 -0.03 -0.09 0.07 -0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.04 0.02 -0.02 -0.07 -0.02 0.03 0.07 0.01 -0.02 -0.03 0.07 -0.05 0.01 -0.00 0.01 -0.10 0.13 -0.04 -0.01 0.10 -0.20 0.00 0.01 -0.00 -0.04 -0.04 0.02 0.01 -0.00 0.00 0.01 -0.02 -0.01 -0.01 -0.06 0.02 -0.09 0.04 -0.08 -0.01 -0.00 0.00 0.04 -0.03 0.11 -0.00 -0.00 -0.00 -0.11 -0.06 0.24 0.00 0.00 -0.01 0.00 -0.02 0.11 -0.08 -0.01 -0.03 0.01 -0.01 -0.00 -0.10 -0.05 -0.05 0.13 0.06 -0.04 -0.01 -0.02 0.00 0.32 0.08 -0.31 -0.18 0.39 0.18 -0.01 -0.01 -0.01 0.00 0.14 0.24 0.09 -0.03 -0.07 0.01 0.03 -0.01 -0.08 -0.23 0.10 -0.06 -0.17 0.07 -0.00 0.00 0.00 0.03 0.04 -0.05 0.01 -0.03 0.03 -0.00 0.00 0.00 0.09 0.03 0.00 -0.05 0.01 0.09 0.00 -0.00 0.00 0.01 0.03 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.08 0.10 0.03 -0.03 0.00 0.08 0.06 -0.07 -0.21 -0.14 0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.02 0.10 -0.00 0.01 -0.02 -0.01 -0.12 0.13 0.08 0.01 0.00 -0.00 -0.13 0.14 0.01 0.17 0.11 0.05 0.07 -0.12 0.12 -0.01 0.01 0.00 0.09 -0.04 -0.02 0.01 -0.00 -0.00 -0.09 -0.05 0.02 0.00 -0.00 0.00 0.04 -0.13 0.09 -0.14 0.01 -0.01 -0.00 -0.00 0.00 -0.02 -0.03 -0.06 0.06 0.05 -0.02 -0.00 -0.01 -0.00 0.12 0.03 -0.06 -0.03 0.13 0.10 0.01 0.01 0.00 -0.00 -0.16 -0.20 -0.05 0.04 0.05 0.00 -0.00 -0.01 -0.08 -0.05 0.02 0.03 0.02 0.06 0.00 0.00 -0.00 0.06 0.07 -0.01 0.04 -0.07 0.01 0.00 -0.00 0.01 -0.08 0.00 -0.02 0.06 0.01 -0.11 -0.01 -0.00 -0.00 0.06 0.18 -0.16 0.03 -0.00 0.02 -0.01 0.02 -0.01 0.21 -0.17 0.39 -0.12 -0.03 0.08 -0.28 -0.35 -0.23 -0.03 0.13 -0.08 -0.01 0.01 -0.01 -0.02 -0.04 0.01 0.02 -0.11 0.05 -0.01 -0.00 0.00 -0.01 -0.02 0.00 0.03 0.00 0.01 -0.08 0.04 -0.06 0.02 0.05 -0.01 -0.14 0.04 -0.11 0.00 0.00 0.00 0.00 0.01 -0.07 -0.00 0.00 -0.00 0.11 0.07 -0.03 -0.00 -0.00 0.00 0.01 -0.03 -0.00 -0.02 0.03 0.02 -0.00 0.00 -0.00 0.04 0.02 0.03 -0.04 -0.02 0.02 -0.00 0.01 -0.00 -0.12 -0.03 0.07 0.03 -0.13 -0.10 -0.01 -0.02 -0.02 0.01 0.27 0.47 0.20 0.01 -0.08 -0.00 0.01 0.01 0.14 0.04 -0.02 -0.09 -0.07 -0.12 0.01 -0.00 0.00 -0.06 -0.07 -0.08 -0.07 0.09 0.04 -0.01 0.01 0.00 -0.04 -0.04 0.03 0.00 -0.05 -0.00 -0.01 0.00 -0.00 0.03 0.10 -0.09 0.02 0.00 0.01 0.00 0.01 -0.01 0.16 -0.12 0.24 0.25 0.07 -0.14 -0.26 -0.21 -0.11 0.03 -0.29 0.11 -0.00 0.01 -0.00 0.11 -0.03 0.02 -0.02 -0.03 0.25 -0.01 -0.00 0.01 0.10 -0.01 -0.05 -0.00 0.00 0.01 -0.02 -0.07 -0.10 -0.04 0.07 -0.06 0.04 0.07 -0.01 -0.02 -0.00 0.00 0.11 -0.08 0.06 0.00 -0.00 -0.01 0.03 0.01 -0.14 -0.00 -0.00 0.01 -0.04 0.15 -0.26 0.26 0.03 0.08 0.03 -0.01 -0.00 -0.23 -0.02 0.03 -0.16 0.02 0.04 -0.00 -0.01 0.01 0.37 0.12 -0.04 -0.31 0.24 -0.16 -0.00 -0.00 -0.00 -0.00 -0.07 -0.02 0.03 0.05 0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.08 -0.02 -0.01 -0.00 -0.01 -0.02 -0.02 0.22 0.04 -0.00 -0.13 0.00 0.01 -0.00 -0.15 -0.12 0.05 0.07 -0.05 -0.10 0.00 0.01 -0.01 -0.05 -0.15 0.10 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.02 0.09 0.07 0.00 -0.10 -0.07 -0.07 -0.03 0.07 -0.04 0.17 -0.01 0.00 -0.00 0.07 -0.04 0.01 -0.01 -0.02 0.18 0.01 -0.00 -0.00 -0.01 0.03 0.01 -0.00 -0.00 -0.02 0.08 0.03 0.11 -0.03 -0.08 0.03 0.00 -0.06 0.03 -0.02 0.01 -0.01 0.14 -0.08 0.03 0.01 -0.00 0.00 0.04 0.01 -0.22 0.00 0.00 -0.00 0.08 -0.26 0.16 -0.30 0.07 -0.00 0.02 -0.01 0.02 -0.03 -0.07 -0.10 -0.12 0.10 0.03 -0.00 -0.01 0.00 0.18 0.06 0.06 -0.15 0.08 -0.12 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 -0.00 0.01 -0.01 -0.01 0.00 0.05 0.10 -0.04 0.02 0.08 -0.05 0.01 -0.00 -0.00 -0.03 -0.04 -0.26 -0.11 0.07 0.19 -0.01 -0.00 -0.00 0.04 -0.10 0.08 -0.02 0.11 -0.02 -0.00 -0.02 0.02 0.11 0.31 -0.20 -0.02 0.01 -0.02 -0.01 -0.00 0.00 0.05 0.03 -0.19 0.03 -0.05 -0.21 0.18 0.12 0.04 0.10 -0.02 0.25 0.00 0.01 0.00 -0.08 0.16 -0.06 0.05 -0.06 -0.31 0.02 -0.01 -0.02 -0.16 0.02 0.08 0.01 -0.00 -0.00 -0.07 0.08 0.02 0.09 -0.06 0.07 0.03 -0.07 0.05 0.02 -0.01 -0.01 -0.12 0.04 0.14 -0.01 -0.00 0.02 0.05 0.04 0.10 -0.01 -0.00 -0.01 -0.08 0.18 0.08 0.07 -0.02 -0.01 0.02 -0.00 -0.00 -0.07 0.01 0.05 -0.22 -0.02 0.05 0.01 0.00 0.02 -0.02 -0.01 -0.04 -0.11 -0.05 -0.20 0.00 0.01 0.01 -0.00 -0.05 -0.14 -0.07 -0.04 -0.00 -0.01 -0.01 -0.02 -0.08 0.09 -0.04 0.07 0.04 0.13 0.00 -0.00 0.00 -0.07 -0.10 0.05 -0.05 0.10 -0.05 -0.01 -0.01 -0.00 0.38 -0.02 0.11 -0.19 0.26 0.23 0.00 0.01 -0.00 -0.02 -0.07 0.05 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.06 -0.04 0.08 0.00 -0.07 -0.24 -0.14 -0.07 -0.02 0.09 -0.02 0.21 0.01 -0.01 0.02 0.14 -0.07 0.02 -0.03 0.03 0.22 0.00 0.01 0.01 0.06 -0.09 -0.03 0.01 -0.00 0.01 -0.08 0.00 -0.08 -0.09 -0.06 -0.03 -0.08 0.06 -0.07 -0.01 -0.00 0.00 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.19 -0.00 -0.01 -0.01 -0.05 0.15 -0.05 0.04 0.17 0.16 -0.01 -0.00 -0.00 0.08 0.01 0.00 0.17 -0.01 -0.04 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.07 0.06 0.15 0.01 0.00 0.00 0.01 0.25 0.04 -0.12 -0.22 -0.13 0.00 0.00 0.01 0.03 -0.05 0.02 -0.01 0.03 -0.09 -0.01 -0.00 0.01 0.07 0.09 -0.12 0.08 -0.03 -0.18 -0.00 -0.01 -0.02 0.22 -0.23 0.20 -0.11 0.36 0.03 -0.00 0.00 0.00 0.01 0.02 -0.02 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.11 -0.04 0.01 -0.25 -0.16 -0.08 -0.10 -0.03 0.01 -0.05 0.18 -0.14 0.01 -0.03 -0.01 0.11 0.03 -0.02 -0.01 0.05 -0.00 -0.00 0.00 0.01 0.02 -0.07 -0.01 0.01 -0.00 -0.00 0.02 0.04 0.06 -0.02 0.03 -0.03 -0.14 -0.01 -0.08 -0.01 -0.00 -0.02 0.01 -0.03 0.13 0.00 -0.00 0.01 -0.03 -0.03 -0.19 -0.00 0.01 0.00 -0.00 -0.02 0.17 -0.03 -0.24 -0.22 0.01 0.01 0.01 -0.14 -0.04 -0.06 0.04 0.05 -0.01 -0.00 -0.00 0.00 0.14 0.06 0.13 -0.14 -0.00 -0.19 -0.00 0.00 -0.01 0.01 0.25 0.20 -0.01 -0.17 -0.14 -0.00 -0.01 0.01 0.04 0.13 -0.05 0.04 0.08 -0.02 0.01 0.01 -0.00 -0.09 -0.11 0.16 -0.08 0.04 0.15 0.00 -0.02 0.00 0.09 0.31 -0.21 -0.02 0.03 0.03 -0.00 0.00 -0.01 -0.03 -0.10 0.05 0.03 -0.01 0.02 0.00 0.00 -0.00 -0.03 -0.01 0.08 -0.19 -0.02 0.24 -0.01 -0.06 -0.05 -0.01 0.30 -0.09 0.00 0.01 0.01 0.09 -0.03 0.01 -0.04 0.07 0.26 -0.00 -0.03 -0.01 -0.02 0.18 0.02 -0.01 0.01 -0.01 0.08 -0.03 0.05 0.11 0.09 0.02 0.12 -0.05 0.09 -0.00 -0.01 -0.00 -0.08 0.04 -0.00 0.01 -0.00 -0.00 -0.05 -0.04 -0.14 0.01 0.01 -0.01 -0.06 0.18 0.23 -0.05 -0.09 -0.11 -0.00 -0.00 0.00 0.02 0.00 0.01 0.07 0.00 -0.01 0.00 -0.00 0.00 -0.05 -0.03 -0.09 -0.01 -0.01 -0.03 -0.00 -0.02 -0.01 0.00 0.06 0.03 0.01 0.30 0.24 -0.00 0.01 0.01 0.06 -0.02 0.01 -0.05 -0.05 -0.06 -0.01 0.00 -0.00 0.07 0.09 -0.08 -0.02 -0.15 0.28 -0.01 -0.02 0.00 0.10 0.04 -0.01 -0.02 0.30 -0.13 0.01 0.01 -0.01 -0.09 -0.24 0.20 -0.02 -0.03 0.01 0.00 0.00 -0.00 -0.19 0.04 0.11 0.05 -0.02 -0.15 0.07 -0.05 -0.06 -0.06 -0.21 -0.12 -0.02 -0.01 -0.02 0.01 -0.02 0.02 -0.01 0.05 -0.03 0.00 0.00 0.00 -0.03 -0.05 0.01 -0.00 -0.00 0.00 0.02 0.01 0.03 0.03 0.07 -0.01 -0.05 0.01 -0.03 0.00 0.01 0.01 -0.07 0.05 -0.03 0.01 -0.01 0.02 0.00 -0.02 -0.33 0.01 0.00 -0.00 -0.01 0.05 0.08 -0.01 -0.06 -0.06 0.00 -0.00 -0.02 0.09 0.05 0.06 -0.13 -0.07 0.02 -0.00 -0.01 0.00 -0.11 -0.08 -0.34 0.17 0.16 0.42 -0.00 0.01 0.00 -0.00 0.00 0.05 0.02 -0.11 -0.11 0.00 0.00 -0.01 -0.07 -0.11 0.04 0.06 0.12 -0.01 -0.00 0.00 0.00 0.02 0.03 -0.06 -0.01 -0.03 0.06 -0.00 0.00 0.01 -0.02 0.06 -0.04 0.00 -0.12 0.05 0.00 0.00 -0.01 -0.04 -0.10 0.08 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.07 0.00 0.08 0.07 0.03 -0.03 0.08 -0.06 -0.08 0.20 0.16 0.47 0.00 -0.00 0.00 -0.12 0.06 -0.03 0.00 -0.03 0.02 -0.00 -0.01 0.02 0.01 0.00 0.01 -0.01 0.00 0.01 0.13 -0.10 0.05 0.06 0.19 -0.05 -0.03 0.07 -0.05 0.00 -0.01 0.00 0.03 -0.02 -0.02 0.00 0.00 -0.02 -0.03 0.01 0.43 0.00 0.00 -0.00 -0.00 0.02 -0.04 0.01 0.05 0.04 0.00 -0.00 -0.00 0.02 0.01 0.02 -0.09 -0.01 0.02 0.00 0.00 -0.00 0.04 0.03 0.17 0.03 -0.04 -0.00 -0.00 0.01 -0.00 0.00 0.07 0.12 0.03 -0.22 -0.20 0.00 -0.01 -0.02 -0.09 0.03 -0.02 0.04 -0.03 0.12 -0.00 -0.00 -0.01 0.03 0.04 -0.03 -0.02 -0.06 0.13 0.00 0.00 0.01 -0.08 -0.11 0.07 0.07 0.17 -0.20 0.01 -0.00 -0.00 -0.01 -0.01 0.04 -0.03 -0.02 -0.00 -0.02 0.01 -0.00 -0.10 -0.00 0.14 -0.10 -0.09 -0.12 0.47 -0.16 -0.29 0.05 0.09 0.09 0.00 0.01 0.01 0.07 -0.02 0.01 0.01 -0.00 -0.07 0.01 0.00 -0.00 -0.12 -0.08 0.06 -0.01 -0.00 0.01 0.05 -0.04 0.03 0.07 0.09 0.01 0.02 0.04 0.00 0.00 0.00 -0.00 -0.05 0.02 0.03 -0.00 -0.00 0.02 0.05 0.01 -0.32 0.00 -0.01 -0.00 -0.03 0.07 -0.01 0.01 0.08 0.08 -0.00 -0.00 0.02 -0.03 -0.05 -0.08 0.14 0.08 -0.03 0.01 0.00 0.01 -0.06 -0.03 -0.15 -0.13 -0.04 -0.23 -0.00 0.02 0.01 -0.01 -0.28 -0.09 0.07 -0.25 -0.25 -0.01 0.01 0.02 0.11 0.02 -0.00 -0.06 -0.02 -0.09 -0.01 -0.00 0.00 0.05 0.07 -0.13 0.03 -0.02 -0.05 -0.00 0.01 -0.01 0.07 -0.01 0.02 -0.07 -0.21 0.21 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.03 -0.01 0.10 0.09 0.06 0.04 0.32 -0.13 -0.22 -0.11 -0.22 -0.24 0.01 0.00 0.01 -0.06 -0.08 0.04 -0.02 0.06 0.05 0.00 -0.00 0.01 0.03 0.04 -0.01 -0.01 0.00 -0.00 0.05 -0.03 0.02 -0.03 -0.04 0.00 0.02 0.01 0.01 0.01 0.01 0.02 -0.05 0.06 -0.17 0.01 -0.00 -0.00 -0.03 -0.03 -0.11 -0.01 0.00 0.01 0.01 -0.05 -0.02 0.04 -0.07 -0.05 0.01 0.01 -0.02 -0.12 0.05 0.11 -0.09 -0.07 0.02 0.02 0.01 0.02 -0.24 -0.12 -0.44 -0.06 -0.03 -0.11 -0.00 -0.00 -0.00 -0.00 0.05 0.04 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.06 -0.14 0.07 0.01 0.01 0.04 0.02 0.00 -0.02 -0.15 -0.21 0.47 -0.07 0.08 0.05 0.00 -0.01 0.00 -0.03 -0.08 0.05 0.03 0.18 -0.14 -0.01 -0.01 0.01 0.08 0.23 -0.19 0.03 0.02 -0.01 -0.01 0.00 0.00 0.13 -0.02 -0.08 -0.08 -0.05 -0.02 0.16 -0.00 -0.05 -0.06 -0.02 -0.16 0.00 -0.00 -0.00 -0.11 0.04 -0.02 -0.05 0.07 0.35 -0.01 0.02 0.01 0.11 -0.10 -0.06 0.01 -0.01 -0.00 -0.07 0.09 0.02 -0.10 -0.04 -0.04 -0.12 -0.02 -0.06 0.01 -0.01 0.00 -0.12 0.06 -0.09 0.02 0.00 -0.02 -0.10 -0.05 0.20 0.02 -0.01 -0.02 -0.10 0.27 0.36 -0.09 0.04 0.01 0.01 0.00 0.02 -0.01 -0.06 -0.11 -0.10 0.08 0.03 0.02 0.00 0.02 -0.14 -0.07 -0.24 -0.12 -0.07 -0.24 0.00 0.01 0.01 0.00 -0.09 -0.08 -0.02 -0.18 -0.14 -0.00 -0.00 -0.02 -0.08 0.02 -0.01 0.05 -0.01 0.14 0.00 -0.00 0.01 0.02 0.02 -0.22 -0.01 0.04 -0.04 0.00 0.00 0.00 -0.17 0.02 -0.05 0.09 -0.13 -0.12 -0.00 0.00 -0.00 -0.02 -0.06 0.03 0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.03 -0.01 -0.01 0.00 -0.22 0.05 0.11 0.02 0.02 0.03 -0.00 0.02 0.00 0.15 -0.04 0.00 -0.05 0.01 0.41 0.01 0.01 -0.00 -0.04 -0.07 0.02 -0.00 -0.00 -0.00 -0.00 0.05 0.06 -0.06 -0.11 0.02 0.00 -0.03 0.02 -0.01 -0.01 -0.01 0.01 -0.02 0.03 0.00 0.01 -0.02 -0.05 -0.02 0.16 -0.00 0.00 0.00 -0.05 0.10 0.18 0.02 -0.19 -0.17 -0.00 0.00 -0.02 0.02 0.08 0.14 -0.01 -0.11 -0.00 -0.01 -0.00 -0.02 0.11 0.07 0.28 0.15 0.04 0.25 -0.00 0.02 0.01 -0.01 -0.23 -0.14 0.03 -0.18 -0.16 0.01 0.01 0.00 0.02 -0.07 0.02 -0.06 -0.08 -0.05 0.01 0.00 -0.01 -0.07 -0.09 0.26 -0.02 0.02 0.03 -0.01 -0.01 -0.01 0.14 0.08 -0.04 -0.08 -0.03 0.15 -0.01 -0.00 0.00 0.01 0.03 -0.07 0.05 0.03 -0.00 -0.01 0.01 0.00 0.18 -0.04 -0.05 0.15 0.06 -0.06 0.03 -0.03 -0.04 -0.01 -0.22 0.00 0.00 -0.00 0.01 -0.02 -0.02 0.01 0.01 -0.03 -0.03 0.00 0.01 -0.00 -0.02 -0.07 -0.00 0.01 0.00 -0.03 0.04 0.14 0.17 -0.06 -0.11 0.02 -0.06 -0.13 0.03 0.00 0.00 0.01 0.03 -0.01 -0.04 -0.00 -0.00 -0.00 0.03 0.02 0.04 0.00 0.01 0.01 0.02 -0.02 -0.24 0.09 0.02 0.02 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.03 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.08 -0.08 -0.00 0.00 -0.00 -0.02 -0.03 0.01 0.01 0.01 0.01 -0.01 0.01 -0.03 0.05 0.07 0.02 -0.12 -0.25 0.68 0.01 0.02 -0.01 -0.04 -0.25 0.17 -0.03 -0.18 0.14 -0.01 0.01 -0.00 -0.06 -0.17 0.08 0.04 0.03 0.00 0.00 0.00 0.00 0.17 -0.04 -0.05 -0.08 -0.04 -0.02 -0.16 0.01 0.06 -0.03 0.06 -0.07 -0.01 -0.02 -0.01 0.01 0.09 -0.04 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.11 0.09 0.06 -0.01 0.01 0.00 0.07 -0.09 -0.02 0.03 -0.08 0.07 0.11 0.01 0.06 0.00 -0.02 -0.01 -0.11 0.04 0.10 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.03 -0.00 -0.18 0.49 0.14 0.11 0.14 0.17 -0.00 0.00 0.00 -0.01 -0.02 -0.03 0.04 0.01 -0.01 -0.00 -0.00 -0.00 0.05 0.02 0.06 -0.00 0.02 0.02 -0.01 -0.02 -0.01 0.00 0.15 0.13 0.03 0.21 0.16 0.00 -0.01 -0.00 0.00 0.08 -0.03 0.02 0.03 0.02 -0.01 -0.00 -0.01 0.04 0.05 0.02 0.01 -0.08 0.08 -0.00 0.01 -0.01 -0.02 0.01 -0.02 0.01 -0.19 0.05 -0.01 -0.01 0.01 0.07 0.17 -0.19 0.06 0.06 -0.01 -0.03 0.01 0.01 0.35 -0.08 -0.16 0.02 0.07 0.21 0.21 -0.02 -0.09 0.04 0.15 0.07 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.02 0.00 -0.20 0.00 0.01 0.01 0.09 0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.17 -0.22 0.01 0.03 0.00 0.02 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.06 -0.00 0.00 0.01 0.02 -0.03 -0.16 0.11 -0.12 -0.07 -0.00 -0.00 0.01 0.04 -0.02 -0.04 0.00 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.07 -0.08 -0.00 -0.10 -0.08 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.07 0.11 -0.22 0.03 -0.05 -0.02 -0.00 -0.02 0.03 -0.09 0.24 -0.19 0.10 0.31 -0.32 -0.02 0.01 0.00 -0.07 -0.20 0.02 0.16 0.08 0.02 -0.02 0.01 0.01 0.48 -0.11 -0.17 0.08 0.02 -0.05 0.06 -0.05 -0.06 0.01 -0.14 0.05 0.01 -0.01 -0.00 0.17 -0.18 0.07 -0.04 -0.00 0.32 0.01 -0.00 -0.02 -0.13 0.03 0.06 -0.01 0.00 0.01 0.02 -0.07 -0.05 0.04 -0.06 0.05 0.07 0.02 0.03 -0.01 0.01 0.02 0.05 -0.01 -0.15 0.00 0.01 -0.03 -0.05 -0.01 0.22 -0.01 0.01 0.01 0.08 -0.22 -0.23 0.03 -0.04 -0.02 0.01 0.00 0.01 0.01 -0.04 -0.07 -0.18 0.04 0.05 0.01 0.01 0.01 -0.09 -0.04 -0.13 -0.05 -0.04 -0.13 -0.00 -0.01 -0.01 0.00 0.12 0.10 0.00 0.12 0.10 0.00 0.00 -0.01 -0.11 -0.18 0.07 0.04 0.01 0.09 -0.01 -0.00 0.01 0.05 0.07 -0.20 0.03 0.03 -0.12 0.00 -0.00 -0.01 0.21 0.22 -0.12 -0.14 -0.14 0.32 -0.00 0.00 -0.00 -0.04 -0.12 0.05 0.05 0.02 0.01 -0.01 0.01 0.00 0.14 -0.03 -0.03 -0.08 -0.05 -0.01 0.12 -0.05 -0.08 0.02 0.11 0.02 0.01 0.00 -0.01 0.22 -0.11 0.04 0.00 -0.01 -0.07 -0.01 -0.00 0.01 0.06 -0.02 -0.03 0.01 -0.00 -0.01 -0.00 0.05 0.05 0.03 0.10 -0.04 -0.14 0.00 -0.08 -0.01 0.00 0.00 -0.03 0.01 0.02 -0.01 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.03 0.02 -0.09 0.23 -0.23 0.21 0.01 0.09 0.01 0.00 0.00 0.03 -0.02 -0.04 -0.28 0.01 0.06 0.00 0.01 -0.00 -0.00 0.01 0.04 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.07 -0.07 0.00 -0.05 -0.03 0.00 0.01 -0.00 -0.07 -0.21 0.09 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.06 0.09 -0.14 -0.03 -0.10 0.21 -0.00 -0.02 0.01 0.08 0.27 -0.18 -0.02 0.18 -0.05 0.01 -0.01 0.01 0.13 0.37 -0.20 -0.09 -0.04 -0.02 0.01 -0.01 -0.01 -0.25 0.05 0.10 0.06 0.06 0.11 -0.09 0.06 0.08 -0.01 -0.07 -0.04 0.01 -0.00 -0.01 0.11 -0.04 0.01 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.04 -0.07 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.05 -0.01 -0.00 0.00 0.02 0.01 -0.05 0.01 -0.01 -0.02 0.04 -0.11 0.17 -0.30 0.43 0.31 0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.39 -0.02 0.09 -0.00 0.01 -0.01 0.02 0.03 0.11 0.04 -0.02 0.03 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.00 -0.02 0.00 0.01 0.00 -0.07 -0.23 0.10 -0.02 -0.00 -0.04 0.01 -0.01 -0.02 -0.06 -0.09 0.13 -0.05 0.08 0.02 -0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.00 0.11 -0.06 -0.00 0.01 -0.01 -0.09 -0.26 0.16 0.01 0.00 0.01 -0.00 0.00 0.00 0.07 -0.02 -0.01 0.10 0.14 0.30 0.01 -0.04 -0.03 -0.03 -0.02 -0.11 -0.02 -0.01 -0.02 -0.10 0.02 -0.00 -0.02 -0.00 0.18 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.03 0.03 -0.10 -0.19 0.03 0.17 -0.08 0.14 0.00 0.00 0.01 0.02 -0.00 -0.09 0.01 0.00 -0.01 -0.05 -0.02 0.13 -0.01 -0.01 0.00 0.03 -0.09 -0.18 -0.02 0.20 0.18 -0.01 0.00 0.00 -0.03 -0.01 -0.02 0.35 0.01 -0.08 0.00 -0.01 0.01 -0.03 -0.03 -0.16 -0.05 0.03 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 0.01 0.06 -0.07 -0.09 -0.01 -0.01 -0.01 0.07 0.27 -0.12 0.03 0.01 0.07 0.00 -0.00 -0.01 -0.01 -0.01 0.12 -0.01 -0.04 0.08 -0.01 -0.02 -0.01 0.15 0.10 -0.07 -0.09 0.26 0.03 0.01 -0.00 -0.00 0.01 0.03 0.01 -0.04 -0.02 -0.00 0.01 0.01 -0.00 -0.17 0.04 0.10 0.22 0.22 0.32 -0.04 -0.02 -0.01 0.08 -0.01 0.23 0.01 0.00 0.01 0.07 -0.02 0.01 0.01 -0.00 -0.09 0.00 0.02 0.00 0.03 -0.04 -0.01 -0.02 0.00 -0.02 -0.01 0.02 0.00 -0.17 -0.29 0.05 0.55 -0.18 0.42 -0.00 0.00 -0.00 -0.01 0.00 0.04 -0.00 -0.00 0.00 0.02 0.01 -0.04 0.00 -0.01 -0.00 -0.03 0.07 0.05 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.10 0.00 0.02 -0.00 0.00 -0.00 0.01 0.01 0.07 0.01 -0.02 -0.01 -0.02 0.01 -0.02 -0.01 0.09 0.22 0.07 -0.14 -0.17 0.00 0.00 0.00 -0.04 -0.13 0.06 -0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.03 0.04 0.00 0.01 0.02 -0.06 0.01 0.01 0.01 -0.12 0.07 -0.07 0.05 -0.11 -0.03 0.01 -0.00 -0.00 0.02 0.07 -0.02 -0.04 -0.02 -0.00 0.02 0.01 -0.00 -0.20 0.05 0.09 -0.12 -0.12 -0.20 -0.06 -0.01 -0.00 -0.02 0.01 -0.06 0.00 -0.01 -0.01 -0.22 0.12 -0.04 -0.01 0.04 0.07 0.01 0.00 -0.00 -0.03 0.02 0.02 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.10 -0.21 0.04 0.06 -0.00 0.04 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.08 -0.01 0.02 0.01 0.01 -0.01 -0.02 0.13 -0.33 -0.28 0.01 0.01 0.01 0.01 -0.05 -0.10 -0.31 0.01 0.07 -0.00 0.00 -0.00 0.03 0.02 0.04 0.02 -0.03 0.00 -0.01 -0.00 0.00 -0.00 0.03 0.02 0.05 0.02 -0.01 0.00 0.00 0.00 -0.02 -0.06 0.02 -0.00 0.00 -0.01 -0.01 0.00 0.02 0.05 0.07 -0.19 0.03 0.01 -0.09 -0.00 0.00 -0.02 0.01 -0.36 0.24 -0.04 0.12 0.01 0.00 -0.00 -0.00 0.02 0.06 -0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.09 0.02 0.08 0.14 0.20 0.42 0.05 -0.04 -0.06 -0.03 0.04 -0.09 -0.02 -0.01 -0.01 0.42 -0.23 0.08 0.02 -0.05 -0.18 -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 0.02 -0.01 0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.02 0.01 0.03 -0.02 0.00 -0.00 0.07 0.06 0.12 0.01 0.01 -0.00 -0.01 0.04 0.13 -0.04 -0.12 -0.13 -0.01 0.00 0.01 -0.02 -0.02 -0.02 0.40 0.02 -0.09 0.01 0.01 -0.00 -0.06 -0.00 0.06 -0.08 -0.09 -0.23 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.16 -0.39 0.16 0.03 0.03 0.05 0.00 0.00 0.00 -0.01 -0.01 0.02 0.02 -0.01 -0.03 -0.01 0.01 -0.00 -0.04 -0.22 0.15 0.02 0.05 -0.08 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.13 0.11 0.11 -0.00 0.00 0.00 0.10 0.08 0.26 0.00 -0.00 -0.01 -0.04 0.02 -0.01 -0.00 0.01 0.04 -0.02 -0.02 0.01 0.06 -0.05 -0.04 -0.01 -0.00 -0.01 -0.02 0.03 0.02 0.31 0.63 -0.11 0.31 -0.11 0.24 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.03 0.02 -0.04 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.09 0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.15 0.07 -0.13 -0.16 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 -0.03 0.00 0.01 -0.03 -0.01 -0.00 -0.00 0.10 -0.04 0.05 -0.03 0.10 -0.01 -0.01 0.00 0.00 -0.01 -0.03 -0.01 0.04 0.02 0.00 -0.01 -0.02 0.01 0.20 -0.02 -0.26 0.05 0.07 0.14 -0.12 0.13 0.17 -0.00 -0.00 -0.02 0.01 0.00 0.00 0.50 -0.28 0.10 0.03 -0.12 -0.17 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 -0.04 0.01 0.02 -0.00 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.01 0.05 0.06 0.26 0.00 0.00 -0.00 -0.01 0.04 0.10 -0.04 -0.07 -0.07 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.21 -0.01 0.05 -0.00 -0.02 0.01 -0.02 -0.04 -0.25 -0.00 0.14 0.18 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.02 0.00 0.17 0.48 -0.20 0.00 -0.01 0.03 0.00 0.00 0.00 0.01 0.01 -0.03 0.00 0.02 -0.03 -0.00 0.01 -0.00 -0.04 -0.13 0.08 0.03 -0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 0.08 0.01 -0.01 -0.01 -0.05 -0.02 -0.13 0.00 0.00 -0.00 -0.05 -0.10 0.02 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.09 -0.06 -0.05 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.11 -0.04 0.11 0.03 0.02 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.02 -0.09 0.14 0.20 0.04 0.06 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.05 0.02 -0.03 0.03 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.01 -0.01 -0.01 0.00 -0.00 0.11 -0.04 -0.01 0.03 0.02 0.08 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.03 0.01 0.01 -0.00 -0.00 -0.05 -0.01 -0.01 -0.03 0.03 0.04 -0.03 -0.02 -0.04 -0.03 0.38 0.50 0.47 -0.01 0.20 -0.01 -0.00 -0.02 0.08 -0.11 0.25 -0.01 -0.00 0.00 0.11 0.22 0.14 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.12 -0.20 0.04 0.00 -0.02 0.01 0.01 -0.00 0.00 -0.06 0.03 0.04 0.00 0.00 0.00 0.01 -0.03 -0.03 -0.07 0.02 -0.08 -0.03 -0.04 0.01 0.01 0.01 -0.01 -0.03 0.00 0.18 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.03 -0.00 0.01 -0.00 -0.02 -0.01 0.04 0.07 0.15 -0.02 0.22 -0.04 -0.02 0.01 0.00 0.16 0.05 -0.07 0.11 -0.15 0.00 0.00 0.00 -0.00 0.00 -0.04 0.06 -0.07 -0.01 0.02 -0.05 0.01 -0.02 0.62 -0.24 -0.03 0.19 0.11 0.43 -0.00 -0.01 -0.00 0.04 0.05 0.01 -0.04 0.05 0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 -0.06 -0.09 -0.08 0.00 -0.03 0.00 0.00 0.01 -0.02 0.03 -0.07 -0.06 -0.01 0.05 -0.03 -0.06 -0.03 -0.00 -0.05 0.01 -0.01 -0.01 0.01 0.30 0.47 -0.10 -0.04 0.16 -0.03 -0.01 0.01 -0.00 0.10 -0.06 -0.06 -0.00 -0.02 -0.00 -0.05 0.13 0.12 0.12 -0.04 0.14 0.12 0.20 -0.08 -0.02 -0.03 0.03 0.08 -0.01 -0.40 -0.01 -0.02 0.00 0.14 0.09 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.03 -0.01 -0.01 -0.00 -0.02 -0.01 0.05 0.09 0.18 -0.02 0.26 -0.04 -0.01 0.01 0.00 0.11 0.03 -0.05 0.07 -0.11 -0.01 -0.01 -0.01 0.01 -0.00 0.08 -0.10 0.13 0.03 -0.03 -0.01 0.00 -0.00 0.15 -0.05 -0.01 0.05 0.04 0.10 0.00 -0.01 -0.00 0.05 0.05 0.02 -0.05 0.07 0.00 -0.01 0.00 0.00 0.09 0.01 0.02 0.04 -0.04 -0.07 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.02 0.06 0.13 0.03 -0.07 0.03 0.04 0.02 -0.03 0.13 -0.07 0.00 0.00 0.00 -0.07 -0.10 0.02 0.02 -0.09 0.01 -0.04 0.02 -0.01 0.31 -0.18 -0.19 -0.00 0.00 0.00 0.01 -0.03 -0.02 0.35 -0.15 0.43 -0.02 -0.04 0.02 0.00 0.01 -0.01 -0.01 0.00 0.09 0.00 0.01 -0.00 -0.08 -0.05 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 0.02 0.01 -0.04 -0.09 -0.19 0.02 -0.28 0.05 -0.00 0.00 0.00 0.03 0.01 -0.02 0.03 -0.03 0.00 -0.00 -0.00 0.01 -0.00 0.05 -0.07 0.08 0.02 -0.02 -0.01 0.00 -0.00 0.12 -0.05 -0.00 0.04 0.02 0.09 0.00 0.01 0.00 -0.05 -0.05 -0.02 0.04 -0.06 -0.01 -0.02 0.01 0.01 0.27 0.02 0.07 0.11 -0.14 -0.18 0.01 0.01 0.01 0.01 -0.15 -0.18 -0.17 0.00 -0.07 -0.01 0.00 -0.01 0.04 -0.04 0.14 -0.01 -0.01 -0.02 0.08 0.07 0.03 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.11 -0.18 0.04 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.08 0.05 0.05 -0.01 -0.05 -0.01 -0.12 0.35 0.31 -0.09 0.04 -0.11 0.32 0.53 -0.21 0.01 0.01 -0.01 -0.03 0.00 0.15 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.02 0.01 -0.03 -0.08 -0.17 0.03 -0.26 0.05 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.00 0.14 -0.15 0.21 0.05 -0.03 -0.00 0.00 -0.00 0.05 -0.01 -0.00 0.01 0.01 0.03 0.00 -0.01 -0.00 0.06 0.08 0.03 -0.05 0.07 0.01 0.00 -0.00 -0.00 -0.04 0.01 -0.01 -0.01 0.00 0.03 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.04 0.02 -0.01 -0.06 -0.02 -0.03 -0.02 -0.01 0.04 -0.02 -0.00 -0.01 -0.00 -0.19 -0.30 0.06 0.02 -0.08 0.03 -0.01 0.01 -0.00 0.11 -0.07 -0.07 -0.00 -0.01 -0.00 -0.03 0.08 0.07 0.13 -0.05 0.16 0.07 0.12 -0.05 0.01 0.02 -0.02 -0.05 0.01 0.24 0.00 0.01 -0.00 -0.07 -0.05 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.04 -0.02 0.08 0.17 0.37 -0.04 0.57 -0.10 0.01 -0.00 -0.00 -0.08 -0.03 0.02 -0.07 0.07 -0.01 -0.00 -0.00 0.00 -0.00 0.03 -0.03 0.03 0.01 -0.00 0.02 -0.00 0.01 -0.24 0.10 0.01 -0.07 -0.04 -0.16 -0.00 -0.01 -0.00 0.07 0.08 0.02 -0.07 0.09 0.00 -0.01 0.00 0.00 0.08 -0.00 0.03 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 -0.04 -0.04 -0.04 -0.00 -0.02 -0.00 0.00 -0.00 0.02 -0.02 0.05 0.06 0.03 0.02 0.03 0.03 0.01 -0.00 0.06 -0.03 -0.01 -0.01 0.01 -0.09 -0.10 0.02 -0.09 0.32 0.02 -0.01 0.00 -0.00 0.04 -0.03 -0.03 0.00 0.01 0.00 0.02 -0.07 -0.06 0.09 0.01 0.07 -0.05 -0.10 0.05 0.01 0.01 -0.01 -0.02 0.01 0.09 -0.01 -0.03 -0.00 0.27 0.16 0.04 0.01 -0.00 0.01 -0.02 0.07 -0.07 -0.13 -0.01 -0.03 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.02 0.00 0.03 -0.01 -0.01 -0.28 -0.09 0.19 -0.19 0.30 0.04 -0.01 -0.01 0.02 -0.01 0.15 -0.20 0.25 0.03 -0.07 -0.01 -0.00 -0.00 0.17 -0.04 -0.02 0.05 0.04 0.10 0.00 0.01 0.00 -0.10 -0.13 -0.04 0.10 -0.13 -0.02 0.02 -0.01 -0.00 -0.25 0.01 -0.07 -0.12 0.13 0.18 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.16 0.02 -0.11 0.01 0.00 -0.00 -0.03 0.16 -0.08 0.01 0.01 -0.01 0.04 0.13 -0.03 0.04 -0.12 -0.01 0.00 0.00 0.00 -0.03 0.02 0.02 -0.01 -0.02 -0.00 -0.04 0.11 0.10 -0.05 -0.01 -0.04 0.12 0.17 -0.06 -0.00 -0.01 0.01 0.01 0.00 -0.10 0.00 0.01 0.00 -0.12 -0.07 -0.04 0.01 -0.00 0.01 -0.02 0.09 -0.13 -0.20 -0.03 -0.06 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.02 0.04 -0.00 0.03 -0.01 -0.02 -0.33 -0.11 0.23 -0.22 0.34 0.03 0.01 0.01 -0.02 0.01 -0.15 0.21 -0.25 -0.03 0.08 -0.01 0.00 -0.00 0.17 -0.08 -0.01 0.04 0.02 0.11 0.00 0.01 0.00 -0.04 -0.06 -0.01 0.04 -0.04 -0.02 -0.00 0.00 -0.00 0.06 -0.02 0.03 0.03 -0.03 -0.04 0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 -0.02 0.08 -0.10 0.25 -0.19 -0.03 0.13 0.10 0.20 0.13 0.03 -0.18 0.08 -0.00 -0.00 0.00 -0.01 -0.06 0.01 -0.04 0.13 0.01 0.01 -0.00 0.00 -0.07 0.03 0.04 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.07 0.03 -0.10 0.04 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.01 -0.01 -0.00 0.12 0.07 0.03 -0.00 0.00 -0.00 0.01 -0.03 0.07 0.06 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 0.02 -0.00 -0.02 0.01 0.01 0.20 0.06 -0.14 0.13 -0.21 -0.02 0.00 0.00 -0.01 0.00 -0.05 0.07 -0.07 -0.01 0.02 0.01 -0.00 0.00 -0.11 0.05 0.01 -0.03 -0.02 -0.07 0.00 0.01 0.00 -0.09 -0.11 -0.04 0.08 -0.11 -0.01 0.02 -0.01 -0.00 -0.22 -0.01 -0.06 -0.09 0.11 0.15 0.01 0.01 0.02 0.01 -0.21 -0.24 -0.22 -0.00 -0.09 -0.02 -0.01 -0.04 0.16 -0.18 0.43 0.03 0.01 -0.01 0.16 0.37 0.24 -0.00 0.02 -0.01 -0.01 -0.02 0.02 -0.05 -0.07 0.01 -0.05 0.14 0.02 0.02 -0.01 0.01 -0.14 0.10 0.09 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.23 0.04 -0.23 0.01 -0.02 0.02 0.00 0.00 -0.00 -0.01 0.00 0.05 -0.00 -0.01 -0.00 0.11 0.06 0.02 -0.02 0.01 -0.01 0.03 -0.13 0.11 0.22 0.04 0.07 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 0.00 0.01 -0.00 -0.00 -0.08 -0.03 0.05 -0.06 0.09 0.01 0.00 0.00 -0.00 -0.00 -0.04 0.04 -0.04 -0.02 0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.01 0.01 0.01 0.02 -0.00 0.02 0.00 -0.11 -0.13 -0.07 0.11 -0.18 0.01 -0.04 0.01 0.01 0.47 0.05 0.10 0.21 -0.23 -0.33 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 0.05 0.26 0.07 -0.14 -0.00 0.05 0.04 -0.05 0.24 -0.12 -0.00 0.00 -0.00 -0.03 -0.06 0.01 -0.11 0.38 0.02 -0.01 0.01 -0.00 0.08 -0.05 -0.05 0.00 -0.00 0.00 -0.01 0.03 0.02 0.10 -0.05 0.12 0.00 0.05 -0.04 0.00 0.00 -0.00 -0.01 0.00 0.04 -0.01 -0.03 -0.01 0.33 0.20 0.06 -0.01 0.00 -0.01 0.02 -0.09 0.12 0.18 0.01 0.04 -0.00 0.01 0.00 -0.01 -0.04 -0.08 0.02 -0.12 0.02 0.01 -0.00 -0.00 -0.07 -0.02 0.04 -0.05 0.08 0.01 0.02 0.01 -0.02 0.01 -0.22 0.28 -0.36 -0.04 0.10 -0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.01 0.00 -0.02 -0.00 -0.03 -0.01 0.22 0.27 0.10 -0.20 0.28 0.04 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.03 0.01 0.00 0.00 0.00 0.00 -0.02 -0.04 -0.03 0.00 -0.01 0.00 0.00 0.00 -0.02 0.02 -0.04 0.02 0.01 0.01 -0.01 -0.04 -0.03 0.00 -0.01 0.01 0.01 0.01 -0.01 0.08 0.10 -0.02 0.02 -0.06 -0.02 -0.00 0.00 -0.00 0.04 -0.03 -0.02 -0.00 -0.01 -0.00 -0.02 0.04 0.04 0.06 -0.01 0.07 0.05 0.07 -0.03 -0.01 -0.00 0.00 0.02 -0.00 -0.09 0.00 0.00 0.00 -0.05 -0.03 -0.01 -0.03 0.01 -0.03 0.07 -0.29 0.40 0.57 0.08 0.15 0.00 -0.01 -0.00 0.01 0.02 0.05 -0.02 0.09 -0.01 0.01 -0.00 -0.01 -0.12 -0.04 0.08 -0.08 0.12 0.01 -0.00 -0.00 0.00 -0.00 0.05 -0.04 0.05 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 -0.11 -0.11 -0.09 0.12 -0.20 0.02 0.01 -0.00 -0.00 -0.13 -0.02 -0.03 -0.06 0.06 0.09 0.01 0.00 0.01 0.00 -0.07 -0.14 -0.10 0.00 -0.05 0.00 0.00 0.01 -0.04 0.05 -0.11 -0.19 -0.04 0.12 -0.04 -0.10 -0.07 0.03 -0.17 0.08 -0.00 -0.00 0.00 0.04 0.06 -0.01 0.04 -0.14 -0.01 0.01 -0.01 0.01 -0.09 0.05 0.06 0.01 0.01 -0.00 0.04 -0.11 -0.10 -0.11 0.05 -0.14 -0.12 -0.19 0.08 -0.00 -0.00 0.00 0.01 -0.00 -0.05 0.00 0.01 0.00 -0.12 -0.07 -0.02 -0.01 0.01 -0.01 0.02 -0.09 0.12 0.17 0.01 0.04 -0.00 0.00 0.00 -0.00 -0.02 -0.04 0.03 -0.04 0.00 0.01 -0.01 -0.01 -0.13 -0.04 0.09 -0.09 0.14 0.02 -0.02 -0.01 0.02 -0.01 0.17 -0.23 0.28 0.02 -0.09 -0.00 0.00 -0.00 0.05 -0.02 -0.00 0.01 0.01 0.03 -0.00 -0.04 -0.01 0.28 0.33 0.12 -0.25 0.36 0.04 -0.00 0.00 0.00 0.02 0.00 0.00 0.02 -0.03 -0.02 0.00 0.00 0.01 -0.00 -0.07 -0.08 -0.07 -0.00 -0.03 -0.01 -0.01 -0.02 0.08 -0.09 0.20 0.01 -0.01 -0.03 0.07 0.19 0.13 -0.00 0.02 -0.01 -0.02 -0.03 0.03 0.04 0.05 -0.00 0.09 -0.33 -0.01 -0.00 0.00 -0.00 0.04 -0.03 -0.03 -0.00 -0.00 0.00 -0.01 0.02 0.02 0.07 -0.02 0.07 0.01 0.03 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.04 0.01 0.03 0.00 -0.28 -0.16 -0.04 -0.00 0.00 -0.01 0.01 -0.04 0.08 0.08 0.01 0.02 0.00 0.00 0.00 -0.01 -0.02 -0.04 -0.01 -0.06 0.02 0.00 -0.00 -0.00 -0.05 -0.02 0.04 -0.03 0.05 0.01 0.01 0.01 -0.01 0.00 -0.15 0.17 -0.22 -0.03 0.06 -0.00 -0.00 -0.00 0.06 -0.02 -0.00 0.02 0.01 0.05 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.23 -0.01 -0.06 -0.10 0.15 0.14 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.46 0.11 -0.25 -0.01 -0.03 -0.02 -0.08 0.40 -0.21 0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.01 -0.00 -0.00 0.04 -0.03 -0.04 -0.03 0.00 -0.05 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.57 0.41 0.66 0.06 -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 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 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 0.04 -0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.07 -0.01 -0.04 -0.00 0.00 -0.00 0.03 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.09 0.04 -0.01 0.03 -0.01 0.01 -0.04 0.07 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.23 0.85 0.08 0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 0.01 -0.02 -0.02 0.00 -0.01 -0.05 -0.03 -0.05 -0.01 -0.00 -0.01 0.00 -0.04 0.08 0.01 0.00 0.00 -0.00 -0.06 -0.02 -0.01 -0.00 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.03 -0.09 -0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.06 -0.14 -0.39 -0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.03 -0.04 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.01 0.01 -0.01 0.09 0.32 0.04 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.05 -0.07 -0.10 0.00 -0.00 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.03 -0.17 0.19 0.01 0.01 0.03 0.00 -0.03 0.02 -0.10 -0.07 -0.42 0.00 0.00 -0.00 -0.01 0.03 0.00 -0.06 -0.04 0.05 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.04 0.10 0.24 0.67 0.04 -0.02 -0.02 -0.00 0.00 0.00 0.04 -0.03 0.00 -0.03 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 0.04 0.06 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.21 -0.07 0.00 -0.00 0.00 0.08 -0.01 -0.04 0.01 -0.02 0.00 0.01 -0.05 -0.19 -0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.02 0.02 -0.02 -0.02 0.02 0.06 -0.04 -0.07 0.20 -0.26 -0.38 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.02 -0.03 0.07 0.03 -0.00 -0.08 -0.39 0.44 0.00 0.00 0.01 0.00 -0.01 0.00 -0.03 -0.02 -0.10 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.05 -0.00 -0.01 -0.01 0.02 -0.03 0.00 0.01 0.02 -0.06 -0.13 -0.37 -0.02 0.01 0.01 0.00 0.00 0.00 0.05 -0.04 0.00 -0.08 -0.05 -0.03 0.00 -0.01 -0.01 -0.06 0.16 0.21 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.05 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.11 0.23 -0.08 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.03 -0.09 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.03 -0.04 0.03 0.03 -0.03 -0.05 0.04 0.07 -0.31 0.39 0.57 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.04 0.02 0.00 -0.03 -0.13 0.15 0.01 0.01 0.03 0.00 -0.03 0.02 -0.10 -0.07 -0.41 -0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 0.00 0.01 0.02 -0.04 0.05 0.00 0.01 0.02 -0.04 -0.09 -0.24 -0.02 0.01 0.01 -0.01 0.00 -0.00 0.05 -0.05 0.00 0.04 0.02 0.02 0.00 -0.00 -0.00 -0.03 0.07 0.10 -0.06 -0.01 -0.03 -0.00 0.00 -0.00 0.03 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.01 -0.10 0.24 -0.08 -0.01 0.02 -0.03 0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.00 0.03 0.09 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.04 0.03 0.05 -0.12 0.15 0.22 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -0.03 0.03 0.01 -0.00 -0.09 -0.44 0.50 -0.01 -0.01 -0.03 -0.01 0.03 -0.02 0.10 0.07 0.44 -0.00 -0.00 0.00 -0.01 0.03 0.00 0.03 0.02 -0.02 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.06 0.18 0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.02 0.00 -0.04 -0.04 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.05 0.01 0.03 -0.01 0.00 -0.00 0.12 -0.02 0.03 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 0.05 0.02 0.16 -0.35 0.12 -0.01 0.02 -0.03 -0.04 0.01 0.01 0.02 -0.04 0.01 -0.00 0.02 0.06 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.02 -0.06 0.07 0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 0.06 -0.06 -0.01 -0.01 -0.04 -0.01 0.05 -0.03 0.13 0.09 0.59 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.02 -0.02 -0.01 0.00 -0.00 0.07 -0.01 -0.00 0.01 -0.03 0.04 -0.00 -0.00 -0.01 0.02 0.05 0.14 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.03 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.05 0.15 0.20 -0.11 -0.02 -0.06 0.00 -0.00 0.00 -0.07 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 -0.01 -0.27 0.59 -0.20 -0.00 0.00 -0.00 -0.02 -0.01 0.02 -0.01 0.02 -0.01 -0.00 0.03 0.09 -0.13 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.03 0.05 -0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.01 0.05 0.02 0.01 0.02 0.08 -0.09 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.04 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 0.00 -0.01 0.01 -0.02 -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 0.00 0.01 0.01 0.00 0.01 -0.03 -0.04 -0.16 0.48 0.66 -0.03 -0.02 -0.02 0.02 -0.00 0.01 -0.32 0.06 -0.06 0.01 -0.02 -0.02 0.00 0.01 0.00 -0.05 -0.14 -0.03 0.14 -0.30 0.10 0.00 0.01 0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.06 -0.09 -0.02 -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 0.05 -0.04 -0.07 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.17 0.06 0.02 0.03 0.12 -0.13 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.06 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.05 0.16 0.23 -0.15 -0.04 -0.08 -0.04 0.01 -0.01 0.63 -0.13 0.12 -0.03 0.06 0.06 -0.01 -0.03 -0.01 0.18 0.54 0.14 0.03 -0.06 0.02 0.01 -0.05 0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.04 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.05 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.16 -0.05 -0.01 -0.01 -0.04 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.05 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.03 -0.04 0.09 0.02 0.05 0.03 -0.01 0.01 -0.55 0.13 -0.10 0.03 -0.03 -0.04 -0.02 -0.04 -0.02 0.23 0.70 0.18 -0.01 0.02 -0.01 0.03 -0.11 0.12 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.26 0.07 0.04 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.05 -0.02 0.02 0.04 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.14 0.05 0.01 0.01 0.05 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.02 -0.07 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.08 0.16 -0.20 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.02 -0.01 -0.05 -0.02 -0.03 -0.04 0.08 0.11 0.75 0.18 0.40 -0.01 0.00 -0.00 0.14 -0.03 0.02 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.04 0.08 -0.03 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.10 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.02 -0.02 0.00 -0.03 -0.01 -0.01 0.52 0.19 0.02 -0.03 -0.07 0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.00 0.14 -0.43 0.04 0.08 0.07 -0.06 0.00 0.00 -0.00 -0.03 0.00 -0.00 0.01 -0.02 0.02 -0.00 -0.00 -0.00 0.00 0.02 0.05 0.01 -0.00 -0.00 -0.01 -0.03 -0.01 -0.23 0.17 -0.00 0.44 0.26 0.17 -0.00 0.00 0.01 0.02 -0.07 -0.10 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.16 0.04 -0.03 0.01 -0.02 -0.02 -0.00 0.01 -0.01 0.00 0.02 0.00 -0.00 0.01 -0.00 0.03 -0.10 0.11 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.10 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 -0.14 -0.05 -0.01 -0.01 -0.05 0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.03 -0.02 -0.01 -0.18 0.54 -0.05 -0.26 -0.21 0.19 -0.00 -0.00 0.00 0.03 -0.00 0.00 -0.02 0.04 -0.05 0.00 0.00 0.00 -0.01 -0.03 -0.07 -0.01 0.01 0.01 -0.01 -0.03 -0.01 -0.26 0.19 -0.00 0.47 0.28 0.18 0.00 -0.00 -0.00 -0.01 0.04 0.06 0.01 0.00 0.00 -0.01 0.00 -0.00 0.09 -0.02 0.02 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.04 -0.10 0.12 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.03 -0.09 0.78 0.19 0.09 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.02 -0.03 -0.00 0.00 0.01 0.01 0.01 0.00 -0.04 -0.03 -0.00 -0.20 0.28 -0.02 0.00 0.00 -0.00 -0.04 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.04 -0.13 0.01 0.04 0.03 -0.03 0.00 0.01 -0.01 -0.15 0.01 -0.00 0.11 -0.20 0.24 0.00 -0.00 -0.00 0.00 0.02 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.02 -0.00 0.05 0.03 0.02 0.01 -0.00 -0.00 -0.01 0.06 0.08 -0.14 -0.03 -0.08 -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 0.04 -0.07 0.03 -0.00 0.01 -0.01 -0.10 0.01 0.04 0.01 -0.00 -0.00 -0.00 0.02 0.06 -0.10 -0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.03 0.02 0.04 0.03 -0.03 -0.05 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.09 -0.15 0.01 -0.02 -0.01 0.00 0.37 0.13 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.08 0.24 -0.03 -0.23 -0.18 0.17 0.00 0.02 -0.03 -0.26 0.01 -0.01 0.20 -0.37 0.45 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 -0.06 0.06 0.00 -0.19 -0.12 -0.07 -0.01 -0.00 -0.00 0.00 -0.03 -0.04 0.15 0.04 0.08 0.01 -0.00 0.00 -0.09 0.02 -0.02 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.03 0.01 -0.01 0.03 -0.01 -0.04 0.10 -0.13 -0.16 0.01 0.07 -0.02 0.00 0.01 0.00 0.00 -0.00 0.18 0.04 0.02 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.03 0.03 0.05 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.14 0.22 -0.01 -0.03 -0.01 -0.00 0.44 0.16 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.02 0.01 -0.01 -0.02 0.09 -0.01 -0.25 -0.20 0.19 -0.01 -0.01 0.02 0.26 -0.01 0.00 -0.13 0.23 -0.28 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.00 0.00 0.00 0.02 0.01 0.01 -0.10 0.09 0.00 -0.26 -0.17 -0.10 0.01 0.01 0.01 0.02 -0.04 -0.06 -0.20 -0.05 -0.11 0.01 -0.00 0.00 -0.13 0.03 -0.02 0.01 -0.01 -0.02 0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.04 0.01 -0.03 0.07 -0.09 0.28 -0.01 -0.12 -0.04 0.00 0.02 0.00 -0.01 -0.03 -0.17 -0.05 -0.02 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.03 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.17 0.28 -0.01 0.01 0.00 0.00 -0.11 -0.04 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.05 -0.00 0.00 0.00 0.02 -0.06 0.01 0.03 0.02 -0.02 -0.01 0.02 -0.02 0.05 0.00 -0.01 0.13 -0.24 0.30 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.06 0.03 0.02 -0.01 -0.00 -0.01 -0.01 0.02 0.02 0.17 0.04 0.09 -0.00 0.00 -0.00 0.04 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 0.73 -0.04 -0.30 -0.00 0.00 0.00 0.00 0.01 0.04 0.05 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 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 -0.01 -0.00 -0.06 0.10 -0.00 -0.02 -0.01 0.00 0.35 0.13 0.02 0.00 0.04 -0.04 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.05 -0.00 -0.03 0.01 -0.12 0.34 -0.03 0.13 0.09 -0.09 0.00 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.02 -0.00 0.55 -0.44 -0.00 0.10 0.08 0.04 -0.00 0.00 0.00 0.01 -0.02 -0.03 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.02 -0.02 -0.04 -0.02 0.00 -0.01 0.00 0.09 -0.24 0.29 0.04 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.04 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.02 -0.03 0.03 0.06 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 0.01 0.00 -0.00 -0.12 -0.04 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.02 0.01 0.03 -0.01 0.09 -0.24 0.02 -0.25 -0.19 0.18 0.00 0.00 -0.00 -0.06 0.00 0.00 0.02 -0.04 0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 -0.07 0.06 0.00 -0.23 -0.15 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.00 0.00 -0.00 0.05 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.04 -0.03 -0.05 -0.12 -0.05 0.00 -0.00 0.00 0.18 -0.50 0.60 -0.05 0.00 0.02 0.02 -0.01 -0.01 -0.00 -0.01 -0.03 -0.33 -0.10 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.03 0.00 -0.39 0.64 -0.03 0.00 0.00 0.00 -0.07 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.02 0.01 0.01 -0.01 0.03 -0.07 0.00 -0.16 -0.12 0.12 0.01 -0.00 0.00 -0.15 0.00 0.00 -0.02 0.04 -0.05 0.00 -0.00 -0.00 0.00 0.02 0.07 -0.03 0.01 0.01 -0.01 0.00 -0.00 0.10 -0.08 -0.00 0.08 0.05 0.03 -0.00 0.00 -0.00 0.01 -0.03 -0.04 0.07 0.02 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.02 0.01 -0.03 0.07 -0.03 -0.04 0.10 -0.12 -0.35 0.02 0.14 0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.09 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.03 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.02 -0.01 0.00 -0.15 0.25 -0.01 -0.01 -0.00 0.00 0.10 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.02 -0.01 -0.10 -0.02 -0.04 0.02 -0.13 0.35 -0.03 0.41 0.30 -0.29 -0.00 0.00 -0.00 0.05 0.00 -0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.00 0.00 0.04 -0.01 0.00 -0.39 0.32 0.00 -0.20 -0.14 -0.08 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.04 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.03 -0.01 0.05 -0.14 0.17 -0.13 0.01 0.05 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -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 0.00 -0.02 0.01 -0.01 -0.01 -0.06 0.00 0.00 -0.00 0.01 -0.04 0.00 -0.04 -0.03 0.03 -0.06 0.01 -0.01 0.89 -0.01 -0.02 0.08 -0.19 0.23 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.06 -0.05 -0.00 0.04 0.03 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.08 0.02 0.04 -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 0.03 -0.06 0.01 0.00 -0.00 0.00 -0.24 0.02 0.10 0.00 0.00 -0.00 -0.02 -0.01 0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.05 -0.01 0.46 0.87 0.10 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -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 0.01 0.03 0.02 -0.02 -0.40 -0.42 0.35 -0.00 0.00 0.00 -0.00 0.03 0.02 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.02 -0.08 0.65 -0.32 -0.01 -0.03 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.03 -0.03 0.03 0.43 0.45 -0.38 0.00 -0.00 -0.00 0.01 -0.04 -0.02 0.00 0.00 0.00 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.04 0.02 -0.08 0.60 -0.29 -0.01 -0.02 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 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 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.03 0.02 -0.03 -0.01 -0.05 0.85 -0.43 -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.06 0.46 -0.07 0.88 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 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 0.01 -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 -0.01 0.02 -0.02 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 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 -0.01 -0.00 -0.00 -0.00 0.03 -0.04 -0.04 -0.10 0.01 -0.04 -0.33 0.62 0.71 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 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 8 1 1 8 1 8 1 1 1 8 1 8 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 1 1 15.99491 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 1.00783 15.99491 1.00783 15.99491 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 15.99491 1.00783 1.00783 1.00783 1.00783 252.14791 4374.95222 7216.62059 7775.43129 1.0 -8.2E-4 -0.00157 8.2E-4 1.0 0.00201 0.00157 -0.00202 1.0 asymmetric 1 0.01980 0.01200 0.01114 0.41252 0.25008 0.23211 944563.7 58.31 70.68 77.16 86.80 93.72 98.08 102.44 108.43 111.99 121.46 123.89 129.69 150.40 166.22 202.23 223.06 245.88 263.49 266.86 276.79 280.48 287.52 297.17 305.58 320.31 334.00 346.11 347.18 374.46 395.17 409.42 416.85 425.41 435.65 456.88 460.42 474.68 476.38 481.47 491.37 496.40 528.65 627.43 655.26 673.28 680.65 708.64 745.13 771.25 791.00 804.13 819.72 853.70 870.78 889.66 939.23 943.44 1001.32 1018.21 1041.30 1056.79 1072.87 1090.86 1098.02 1129.14 1134.57 1169.53 1190.05 1222.70 1308.99 1346.66 1389.74 1427.04 1474.57 1531.35 1536.98 1607.49 1635.96 2350.79 2359.49 2368.52 2371.73 2375.30 2383.48 2408.67 2417.59 2428.53 2442.01 2448.05 2460.31 2467.52 2510.70 4403.81 4523.41 4596.49 4615.76 4630.13 4697.62 4790.50 4898.39 5003.62 5074.01 5093.13 5163.60 5176.97 5184.31 5197.06 5202.23 5210.05 5235.20 5267.13 5277.85 5283.68 5317.96 5575.17 5576.76 5577.46 5583.92 5585.78 5598.58 0.359765 0.391542 0.392486 0.299585 -1070.335788 -1070.304011 -1070.303067 -1070.395968 245.696 111.856 195.527 0.000 0.000 0.000 0.889 2.981 42.475 0.889 2.981 33.862 243.919 105.894 119.190 1 0.594 1.981 5.233 2 0.595 1.978 4.852 3 0.596 1.976 4.679 4 0.597 1.973 4.446 5 0.597 1.971 4.295 6 0.598 1.969 4.206 7 0.598 1.968 4.120 8 0.599 1.965 4.008 9 0.599 1.964 3.945 10 0.601 1.960 3.785 11 0.601 1.959 3.747 12 0.602 1.956 3.657 13 0.605 1.946 3.368 14 0.608 1.937 3.174 15 0.615 1.913 2.796 16 0.620 1.897 2.609 17 0.626 1.878 2.426 18 0.631 1.863 2.296 19 0.632 1.860 2.273 20 0.634 1.850 2.205 21 0.636 1.847 2.180 22 0.638 1.840 2.135 23 0.641 1.831 2.074 24 0.643 1.822 2.023 25 0.648 1.807 1.938 26 0.653 1.792 1.862 27 0.658 1.778 1.799 28 0.658 1.777 1.793 29 0.668 1.745 1.660 30 0.677 1.720 1.567 31 0.683 1.702 1.506 32 0.686 1.693 1.476 33 0.690 1.682 1.441 34 0.694 1.668 1.401 35 0.704 1.640 1.323 36 0.706 1.635 1.310 37 0.713 1.616 1.260 38 0.713 1.613 1.255 39 0.716 1.606 1.238 40 0.721 1.592 1.205 41 0.723 1.585 1.189 42 0.740 1.539 1.090 43 0.797 1.392 0.839 44 0.814 1.349 0.780 45 0.825 1.321 0.743 46 0.830 1.310 0.729 47 0.848 1.267 0.677 48 0.873 1.210 0.615 49 0.891 1.170 0.574 50 0.905 1.140 0.545 51 0.914 1.120 0.526 52 0.926 1.097 0.505 53 0.951 1.046 0.461 54 0.964 1.021 0.441 55 0.978 0.993 0.419 0.479745e+28 27.681011 63.737883 0.543516e+13 12.735213 29.323910 0.100000e+01 0.000000 0.000000 0.157375e+09 8.196937 18.874145 0.560869e+07 6.748861 15.539828 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.4501 -1.4846 0.6471 2.1738 -90.2348 -83.4255 -92.6121 -1.7451 -3.1451 0.5500 -1.4774 5.3320 -3.8546 -1.7451 -3.1451 0.5500 42.4065 35.5997 -30.9279 32.1575 -25.3549 -10.9636 -39.9627 -31.4724 59.5594 12.7285 -3426.6676 -1492.8242 -1273.2406 -9.0219 -231.8070 -30.5208 5.3962 127.1426 -13.3246 -653.9054 -676.2553 -429.8701 73.7459 -57.9915 -39.8554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1070.6955532 2.05E-9 8.011E-6 0.3597653 0.3915418 -1070.3040113 -1070.3030672 -1070.3959682 3.2937131,0.8435842,-4.1372973,1.6653732,-1.6605314,-0.1249704 C01 [X(H28O14)] -0.4494371 -0.4074553 0.6028504 -0.7571397 -0.0361648 0.0495558 0.0045358 -0.867545 0.1318454 0.0304647 0.1408334 -0.996206 0.4496126 0.2099015 0.2703237 0.2133889 0.4430485 0.2349237 0.2835694 0.2347793 0.6275187 0.3009374 -0.1557978 0.028848 -0.1940602 0.6120092 -0.0999657 0.0522265 -0.1072795 0.3426368 -0.7984503 -0.0438475 -0.1048345 -0.0794224 -0.9399488 -0.1124127 -0.0672317 -0.0497822 -0.7177424 0.3065862 -0.0138133 0.0294411 -0.0070347 0.265124 0.0724735 0.0054193 0.0087794 0.2189966 -0.6205859 -0.1314645 -0.0631599 -0.0853382 -0.8668607 -0.0364666 -0.0458806 -0.0288824 -0.8361929 0.1925568 0.0447594 0.00921 -0.0123418 0.2990833 -0.0131076 -0.0087204 -0.0070454 0.3029877 0.3877609 0.2554066 0.1248634 0.2654839 0.8631503 0.2775275 0.1318272 0.2954335 0.3513305 0.3026556 0.228993 0.0963361 0.2185837 0.7979224 0.2372663 0.0946833 0.2383232 0.3942379 -0.7080798 -0.1259129 -0.0809792 -0.1625338 -0.8188342 -0.0067328 -0.1330462 0.0157019 -0.8506337 0.2394256 0.0232844 -0.0023549 0.0647245 0.261628 -0.012083 0.0432966 -0.0357926 0.2947413 -0.6682725 -0.0468485 -0.0571392 -0.044031 -0.8670757 -0.0428618 -0.0642868 -0.0395379 -0.8289403 0.3956776 0.0742616 -0.1529162 0.0996393 0.3624202 -0.0616264 -0.181817 -0.0510934 0.4061296 -0.9001136 0.047961 0.0330909 0.0350655 -1.0344294 0.010852 0.048331 -0.0143823 -0.7963869 0.3506902 -0.1724764 0.1122162 -0.1324554 0.651322 -0.1393369 0.0774428 -0.105332 0.2540714 0.6393138 -0.2110116 -0.297451 -0.2223644 0.3969718 0.2012167 -0.293252 0.1918652 0.4382884 -0.5096411 0.0436908 -0.0474895 0.0502873 -0.8721598 -0.0292783 0.0037011 -0.0243467 -0.9116422 0.1859015 -0.0128824 0.028436 -0.0262717 0.3021243 -0.0038281 -0.0301307 -0.0119378 0.3158783 0.2042174 -0.0027525 0.0562337 -0.0080586 0.3837166 0.2338489 0.0406713 0.2072424 0.8590449 -0.8460759 0.0147027 -0.0457426 0.0047126 -0.6819462 -0.0973023 -0.0360545 -0.0935308 -0.8318934 0.5427994 0.0701653 -0.1660181 0.0360183 0.231601 -0.0406786 -0.1538936 -0.0668016 0.4313357 0.4604784 -0.2502671 0.0340408 -0.196597 0.4061766 -0.0156124 0.0132335 -0.0058855 0.3275415 -0.7400354 -0.1256872 -0.0368502 -0.0996102 -0.8083738 0.0018408 -0.0335027 0.0132224 -0.7676456 0.3755792 -0.0725488 0.0816365 -0.0944408 0.4339654 -0.1566152 0.09619 -0.1889332 0.3529315 0.4449094 0.0415279 -0.1414764 0.058094 0.2343063 -0.063258 -0.1608296 -0.0424064 0.5170804 -0.8068631 -0.0584341 -0.0506257 -0.0416128 -0.8056992 -0.1184648 -0.0612916 -0.1869524 -0.7369537 0.4224667 0.1864762 0.2125465 0.1820544 0.5198371 0.2995183 0.207729 0.3112757 0.5560148 0.3073711 0.0085271 -0.0141418 -0.0178757 0.2498624 0.0283506 0.0107937 0.0938929 0.2386334 -0.7446954 0.1041393 0.078352 0.1244567 -0.8296593 0.0015833 0.08417 0.0212859 -0.8206699 0.2814429 0.1461186 -0.0561984 0.1439395 0.5599327 -0.1113375 -0.0724283 -0.1095048 0.3624608 0.4122645 -0.12317 0.1858793 -0.1381771 0.3686958 -0.0988992 0.1938458 -0.1083553 0.4538949 -0.9208896 0.0379614 -0.0874109 0.0204068 -0.8298247 0.0768931 -0.0849901 0.110198 -0.9270443 0.4783768 0.1823721 0.2059924 0.1711083 0.405025 0.1834578 0.2335806 0.2220234 0.4637501 0.3946964 -0.1845601 0.1948886 -0.1406285 0.377565 -0.1696964 0.1789004 -0.2323638 0.5590827 -0.8163909 0.0054746 0.0698105 0.0011675 -0.7375162 0.1901623 0.1335829 0.2287159 -0.6236491 0.297265 0.1067016 -0.1133178 0.1099511 0.6301232 -0.297441 -0.1451898 -0.3114428 0.465285 0.2722963 -0.0304244 -0.0638981 -0.0142402 0.2781649 -0.013887 -0.1048712 -0.0557496 0.2504987 -0.9334403 -0.1084632 0.0062682 -0.0945285 -0.9009749 -0.0452937 0.008772 -0.0532556 -0.6606829 0.7980744 -0.0088854 0.1289009 -0.0398167 0.2975334 -0.0554988 0.0998908 -0.0574892 0.2706803 0.5843508 0.138227 -0.2847318 0.1602065 0.3230933 -0.1877824 -0.2768264 -0.1731083 0.518461 0.4257674 0.0035096 -0.2274963 -0.0004599 0.3166685 -0.0380947 -0.1954516 -0.0500541 0.4364825 0.3171994 -0.0587495 0.0573619 -0.1119249 0.5897766 -0.1141983 0.0773729 -0.1223269 0.296288 123.7169975|-0.08525|129.3328158|0.6149299|-4.2026381|122.6734253 -0.000003451 -0.000000446 0.000013367 -0.000000762 -0.000006153 -0.000005380 -0.000000181 -0.000004481 0.000006004 0.000001624 -0.000015267 0.000006165 0.000007146 0.000004676 -0.000005674 0.000024524 0.000006547 0.000011316 -0.000007544 -0.000002341 0.000003856 0.000001919 0.000006245 -0.000000186 -0.000005553 -0.000003069 -0.000004359 -0.000005614 0.000020652 -0.000002113 0.000002417 -0.000004252 0.000003773 0.000002068 -0.000000733 -0.000008432 0.000007149 0.000004921 0.000003943 -0.000003146 0.000002396 0.000010290 0.000016898 -0.000002707 -0.000008281 -0.000003843 -0.000003366 0.000000754 0.000002991 0.000011075 0.000004249 -0.000003569 0.000004885 -0.000000225 -0.000002798 -0.000015864 -0.000015648 0.000011237 0.000014016 0.000018724 -0.000007906 -0.000015909 0.000002240 -0.000006430 -0.000008753 -0.000010368 -0.000000961 0.000008965 -0.000006547 0.000005036 -0.000003289 0.000007695 -0.000000451 -0.000006774 0.000000338 -0.000010294 -0.000006181 -0.000000073 -0.000003973 -0.000003522 -0.000004414 0.000007728 -0.000005515 0.000005818 0.000011776 -0.000000770 0.000001927 -0.000003441 -0.000000092 0.000000078 -0.000018720 0.000006010 -0.000007297 0.000001300 0.000001292 -0.000000016 -0.000008383 -0.000002234 -0.000003162 -0.000005340 0.000011807 -0.000011512 0.000005495 0.000007250 -0.000000394 0.000002769 0.000002726 0.000008243 0.000010023 -0.000005978 0.000001652 0.000015267 0.000003120 0.000005807 -0.000023129 -0.000005796 -0.000008222 0.000002002 0.000000654 0.000005569 -0.000012811 -0.000005671 -0.000008025 -0.000001068 0.000011925 -0.000011483 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction 14H2O CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1297.3134756422 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0450154547 0.000000 4.280859 0.000000 3.377631 2.131158 0.000000 4.172584 6.010266 4.412195 0.000000 4.967004 6.667172 4.933051 0.961560 0.000000 4.311223 6.724930 6.160133 3.866062 4.695905 0.000000 5.028332 7.643123 7.096032 4.583311 5.338467 0.962023 0.000000 4.619203 6.188529 4.854512 1.003664 1.584465 3.365271 4.070590 0.000000 3.621488 6.543093 5.736575 3.348127 4.183328 0.995621 1.570668 3.089344 0.000000 4.647211 0.998849 3.009859 6.448215 7.172105 6.638372 7.523880 6.490473 6.588911 0.000000 5.590784 1.576440 3.656420 7.233816 7.912217 7.497433 8.379834 7.250926 7.495425 0.962109 0.000000 3.837165 1.668761 0.976496 5.384477 5.903121 6.909786 7.838034 5.814750 6.510003 2.655793 3.170683 0.000000 3.396437 2.176331 1.543165 5.639849 6.190851 6.978883 7.865963 6.151215 6.492731 3.067019 3.657377 0.973951 0.000000 4.220538 3.081933 3.480347 4.542707 5.342943 4.301136 5.201827 4.236773 4.476078 2.812562 3.475009 3.930038 4.436406 0.000000 4.357510 2.297372 3.242627 5.257830 6.036706 5.122553 6.014619 5.069153 5.237563 1.873616 2.510798 3.456187 3.974449 0.976211 0.000000 4.017114 3.652420 4.085692 4.727662 5.608938 3.658475 4.503084 4.365487 3.928188 3.271946 4.000860 4.526032 4.864277 0.993626 1.590930 0.000000 2.687043 4.714933 4.997453 6.034005 6.964889 4.294125 4.823359 6.085149 4.090405 4.514659 5.383573 5.181125 4.816041 4.194442 4.192977 3.520738 0.000000 3.178171 5.620652 5.839857 6.620262 7.538541 4.598953 4.964395 6.689142 4.366194 5.427090 6.274412 6.013446 5.559657 5.116360 5.145457 4.389793 0.962062 0.000000 1.702309 4.469480 4.352422 5.267333 6.169348 4.063761 4.675118 5.439550 3.658316 4.475532 5.404648 4.633693 4.228605 4.067508 4.135689 3.534416 0.992834 1.572462 0.000000 3.693027 3.014925 4.119267 7.155306 7.986364 6.583603 7.305004 7.352637 6.355979 2.835119 3.468658 3.745968 3.321649 4.395706 3.784823 4.240153 2.831376 3.451698 2.985938 0.000000 3.966034 2.234413 3.707239 6.933106 7.750126 6.521612 7.305123 7.062773 6.377530 1.890917 2.518499 3.311566 3.136517 3.730214 2.995962 3.716849 3.252394 4.024448 3.382511 0.975516 0.000000 3.311379 3.524607 4.410910 6.831302 7.713019 5.823483 6.487321 6.963438 5.631798 3.265927 4.006991 4.240062 3.842707 4.170712 3.732873 3.809634 1.897571 2.528499 2.231361 0.974206 1.558309 0.000000 2.851366 6.437679 5.201458 2.825358 3.553362 2.671346 3.146022 3.098836 1.682418 6.719554 7.659123 5.994212 5.838449 5.062949 5.689536 4.727730 4.330309 4.573107 3.577804 6.288676 6.422147 5.695170 0.000000 1.939476 5.829871 4.631615 3.220854 3.982314 3.202839 3.762295 3.627774 2.265465 6.151572 7.103964 5.339846 5.072668 4.868824 5.352268 4.553836 3.697392 3.958083 2.840403 5.489728 5.698219 4.939538 0.972424 0.000000 3.140851 6.281676 4.839515 1.890999 2.582427 3.018850 3.602451 2.312379 2.143181 6.646871 7.552194 5.714076 5.672307 4.908075 5.572068 4.750406 4.932122 5.307141 4.130999 6.582466 6.604066 6.091073 0.975751 1.549650 0.000000 2.808412 3.468865 3.166386 6.313734 6.960994 6.947247 7.709554 6.857453 6.370626 4.031801 4.725185 2.849638 1.919735 5.300297 4.896442 5.383855 3.948840 4.440390 3.387214 2.660159 3.074546 3.058390 5.613466 4.686804 5.744885 0.000000 2.994873 3.127783 3.416263 6.636962 7.366726 6.803570 7.557379 7.054624 6.344535 3.471123 4.158835 3.027791 2.254313 4.931541 4.434864 4.934104 3.397817 3.934974 3.059297 1.676875 2.193408 2.171602 5.836462 4.932557 6.045086 0.996823 0.000000 3.588370 4.212814 3.964352 7.136831 7.739109 7.805975 8.532666 7.731929 7.194532 4.773691 5.370451 3.540424 2.575114 6.242846 5.797239 6.319772 4.625365 4.985513 4.120784 3.186325 3.712592 3.663374 6.348105 5.397500 6.509269 0.961639 1.578318 0.000000 4.082411 4.961934 5.315241 5.259043 6.201012 2.821178 3.449506 4.850806 3.255188 4.535362 5.304245 5.755899 5.867089 2.673463 3.161280 1.685655 2.813789 3.438582 3.093960 4.549186 4.332309 3.806558 4.393388 4.292960 4.729225 5.871083 5.363002 6.748759 0.000000 3.548992 4.816142 5.196996 5.527952 6.488423 3.179743 3.761863 5.278140 3.386873 4.426283 5.248129 5.552370 5.508241 3.116594 3.401916 2.192348 1.863566 2.480944 2.284351 3.869082 3.831752 3.031243 4.278307 3.998334 4.745470 5.233129 4.685376 6.058422 0.974198 0.000000 4.038925 5.553942 5.560473 4.714992 5.645150 1.854249 2.487885 4.253005 2.385329 5.254186 6.064862 6.129314 6.227689 3.108378 3.778783 2.219168 3.173787 3.674247 3.264158 5.234389 5.083333 4.463375 3.720582 3.801403 4.079128 6.211786 5.831101 7.095437 0.975947 1.547220 0.000000 2.700151 3.277865 1.859165 2.762664 3.474143 4.429268 5.366494 3.097752 4.007957 3.790248 4.604873 2.776043 3.089762 2.725176 3.034714 3.136103 4.412674 5.225811 3.697645 4.657760 4.323853 4.550975 3.616645 3.270713 3.185269 4.029105 4.203183 4.939014 4.166258 4.211678 4.145759 0.000000 3.140551 3.037527 2.280602 3.160014 3.935966 4.142001 5.103370 3.185936 3.939064 3.318395 4.117389 3.057384 3.497658 1.753750 2.185701 2.243619 4.227603 5.107894 3.697536 4.507057 4.036885 4.345352 3.966472 3.709189 3.624403 4.457113 4.415939 5.405799 3.484044 3.678969 3.570848 0.986083 0.000000 3.148172 4.213568 2.642136 1.812192 2.497737 4.200286 5.102087 2.242338 3.730993 4.715285 5.500015 3.608541 3.925416 3.264395 3.766590 3.632676 5.020332 5.763480 4.261601 5.582467 5.280442 5.404840 3.254026 3.137653 2.606342 4.813590 5.074891 5.687715 4.534901 4.685658 4.313213 0.978805 1.585363 0.000000 6.166918 5.407021 5.254778 4.351669 4.867071 4.573808 5.327692 3.618776 4.987329 5.261390 5.690051 5.923881 6.599729 2.719121 3.507179 3.120715 6.481293 7.298651 6.277009 7.107570 6.439453 6.829530 5.822983 6.061650 5.391720 7.697871 7.496460 8.651513 4.216375 5.032600 4.159097 4.093529 3.313893 3.975366 0.000000 5.515698 4.501878 4.553905 4.384825 5.020255 4.450072 5.280944 3.791661 4.804609 4.305246 4.764196 5.150970 5.806054 1.764302 2.528441 2.269865 5.707857 6.567632 5.539123 6.159248 5.470263 5.913049 5.581841 5.672911 5.232978 6.872531 6.611470 7.823462 3.590597 4.334719 3.710598 3.528487 2.636356 3.631962 0.981447 0.000000 6.947086 5.958671 6.056222 5.266435 5.769474 5.061300 5.726378 4.479867 5.609477 5.680713 6.010868 6.653393 7.345156 3.232505 3.933613 3.534619 6.975792 7.775596 6.887179 7.591995 6.886203 7.299384 6.604961 6.861740 6.236077 8.425368 8.143191 9.377452 4.507910 5.393591 4.519187 4.983180 4.145361 4.919206 0.960959 1.557180 0.000000 5.425761 6.609702 5.736805 2.615958 3.134136 2.846262 3.456265 1.623383 3.082383 6.676965 7.382766 6.629000 7.037428 4.014785 4.971369 3.984290 6.211555 6.811433 5.792945 7.678669 7.311206 7.190706 3.874128 4.478639 3.394765 7.722499 7.726485 8.648485 4.295979 4.965465 3.650632 3.975793 3.652025 3.372189 2.755065 3.155861 3.404537 0.000000 5.639187 6.155745 5.509264 3.135932 3.661927 3.335713 4.020177 2.206800 3.685998 6.150659 6.776526 6.345730 6.856422 3.432650 4.383227 3.525430 6.245821 6.935019 5.905721 7.451061 6.974271 7.024196 4.538336 5.003661 4.072973 7.699243 7.627105 8.647712 4.110325 4.873263 3.651169 3.895752 3.378426 3.444460 1.782099 2.283625 2.438813 0.980965 0.000000 0.990816 3.703906 2.601643 3.497832 4.300969 4.155869 4.988857 3.926617 3.540312 4.132572 5.066652 3.224422 3.010150 3.492243 3.683039 3.465632 3.148429 3.823006 2.256377 3.838541 3.866100 3.562364 2.887129 2.162312 2.893967 3.033617 3.220137 3.918812 3.886262 3.558767 3.854468 1.709800 2.207005 2.229920 5.335108 4.695117 6.153927 4.772847 4.899673 0.000000 5.064556 6.616237 5.881628 2.983068 3.661688 1.907779 2.512164 2.112664 2.305267 6.604844 7.365192 6.735080 7.044208 3.931023 4.890542 3.662614 5.560874 6.087251 5.216767 7.303067 7.014924 6.716559 3.425816 4.047004 3.185791 7.507805 7.445054 8.428251 3.616715 4.266392 2.855195 4.075688 3.709963 3.600752 3.160426 3.373447 3.720299 0.973661 1.567890 4.545210 0.000000 0.975268 4.081880 3.212492 4.848359 5.565074 5.280661 5.995467 5.386409 4.595245 4.554136 5.446520 3.468954 2.824616 4.705223 4.657865 4.607546 3.056234 3.508601 2.161840 3.358556 3.733371 3.191970 3.726205 2.782417 3.952080 1.915101 2.286506 2.636698 4.810268 4.205970 4.890896 3.091953 3.616050 3.659787 6.820230 6.111929 7.604206 6.279817 6.437990 1.552751 5.978835 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9826,-1.8796,-.6363;2.5525,2.101,-.5098;1.5498,1.1078,-2.1067;-2.562,-.4764,-2.3325;-3.0242,-.4015,-3.1723;-2.8036,-1.4948,1.3892;-3.3674,-2.1038,1.8758;-3.1405,-.0504,-1.6316;-2.4045,-2.0126,.6383;2.5091,2.3731,.4502;2.9622,3.2187,.5236;2.4845,1.3732,-2.01;2.9742,.5329,-1.9589;-.2466,1.9069,.7651;.6773,2.2188,.8121;-.3792,1.2431,1.4924;1.4394,-1.7273,2.0072;1.5437,-2.5952,2.409;1.2281,-1.8733,1.0482;3.6308,-.1102,1.2331;3.2954,.802,1.1495;2.9431,-.6085,1.7103;-1.7512,-2.68,-.7611;-.7794,-2.6744,-.7946;-2.0384,-2.077,-1.4724;3.6209,-1.1202,-1.2278;3.7484,-.7815,-.299;4.4476,-1.5287,-1.5006;-.7163,-.0087,2.5698;.0299,-.6346,2.5476;-1.4857,-.5217,2.2578;-.0833,.437,-1.5238;-.2691,.999,-.7352;-.94,.2372,-1.9529;-2.7187,2.9558,.3382;-1.7788,2.7499,.5318;-3.0179,3.5493,1.0322;-3.8653,.5337,-.3016;-3.548,1.4249,-.0419;.6024,-1.0179,-.9438;-3.6272,-.07,.4242;1.8825,-1.8941,-1.0121; 0.4125168 0.2500812 0.2321082 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.64D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69555318510 -1070.69555319 1 1.067239953656e+03 -5.127289056224e+03 1.692085089195e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT115.900S Tue Nov 5 01:52:05 2024 -19.14674 -19.14187 -19.14146 -19.13945 -19.13586 -19.13181 -19.12604 -19.12270 -19.12267 -19.12230 -19.12194 -19.11901 -19.11196 -19.11094 -1.04270 -1.03482 -1.03373 -1.02991 -1.02751 -1.02158 -1.01945 -1.01244 -1.00917 -1.00696 -1.00587 -0.99944 -0.99344 -0.99315 -0.56271 -0.56088 -0.55813 -0.55640 -0.55250 -0.54565 -0.54535 -0.54322 -0.53447 -0.53337 -0.52988 -0.52709 -0.52643 -0.52484 -0.45996 -0.44524 -0.43869 -0.42551 -0.42365 -0.41985 -0.40908 -0.40297 -0.39932 -0.39124 -0.38501 -0.38209 -0.37320 -0.35942 -0.34424 -0.34148 -0.33987 -0.33547 -0.33514 -0.33194 -0.33020 -0.32600 -0.32180 -0.32041 -0.31809 -0.31702 -0.31209 -0.31025 -0.01225 0.01207 0.01914 0.02560 0.03584 0.03895 0.06273 0.07304 0.07846 0.08938 0.09589 0.09744 0.10052 0.10824 0.11141 0.11543 0.11947 0.12735 0.13613 0.13922 0.14433 0.14745 0.15228 0.15714 0.16144 0.16640 0.17216 0.17743 0.18014 0.18476 0.19026 0.19394 0.19781 0.20530 0.20822 0.21197 0.21686 0.21909 0.22508 0.22915 0.23118 0.23243 0.23601 0.23858 0.24625 0.24964 0.25368 0.25697 0.25933 0.26250 0.26408 0.26653 0.26890 0.27221 0.27406 0.27514 0.28277 0.28807 0.29039 0.29298 0.29432 0.29635 0.30732 0.30979 0.31463 0.31746 0.32374 0.33544 0.34797 0.34972 0.37161 0.38875 0.40422 0.42043 0.43207 0.43735 0.44598 0.45338 0.45882 0.46245 0.48439 0.49683 0.50212 0.50803 0.51429 0.52683 0.53432 0.53952 0.54839 0.55307 0.55907 0.56293 0.57170 0.58064 0.58191 0.59157 0.59421 0.60201 0.61574 0.62141 0.62360 0.62974 0.63476 0.64627 0.64703 0.65232 0.65819 0.67309 0.67784 0.70411 0.70722 0.71627 0.92034 0.92960 0.94322 0.94899 0.95163 0.96328 0.97958 0.98078 0.98423 0.99233 1.00821 1.01855 1.02124 1.02360 1.02784 1.03353 1.03508 1.04048 1.04442 1.04715 1.04830 1.05614 1.05922 1.06394 1.07476 1.07717 1.07869 1.08844 1.09419 1.09807 1.10253 1.10814 1.11556 1.12395 1.12693 1.13108 1.13845 1.14443 1.16151 1.18097 1.19401 1.20435 1.23251 1.24588 1.25642 1.26254 1.27409 1.28948 1.29148 1.29746 1.30534 1.31146 1.31616 1.32350 1.33525 1.33868 1.34954 1.36464 1.37354 1.37747 1.38099 1.38530 1.39102 1.39725 1.41507 1.42221 1.43061 1.43806 1.45149 1.45452 1.45725 1.46609 1.47384 1.48315 1.48858 1.49116 1.51092 1.51380 1.52114 1.52891 1.53540 1.55222 1.56262 1.56947 1.59046 1.59878 1.60154 1.62229 1.63731 1.64142 1.64507 1.66842 1.68573 1.70406 1.71405 1.71746 1.73021 1.73537 1.73927 1.74726 1.75227 1.76469 1.77553 1.78394 1.79263 1.79750 1.81017 1.82805 1.84200 1.85225 1.86710 1.88551 2.01238 2.02148 2.02531 2.03297 2.03343 2.04519 2.17356 2.18402 2.21129 2.22483 2.23800 2.25025 2.25628 2.27507 2.27892 2.29814 2.30992 2.32267 2.34037 2.35117 2.36354 2.37654 2.38091 2.40641 2.41120 2.43494 2.44221 2.47317 2.49960 2.50566 2.51512 2.52802 2.53428 2.54871 2.63251 2.64764 2.65031 2.66545 2.67924 2.69395 2.69753 2.70005 2.71232 2.72646 2.73588 2.74572 2.76032 2.76998 2.78523 2.80227 2.81682 2.83146 2.86500 2.89482 2.89621 2.92889 3.05000 3.06408 3.06923 3.07252 3.07545 3.07715 3.09907 3.10943 3.11360 3.11675 3.11985 3.12382 3.13274 3.13934 3.14729 3.15206 3.15533 3.16031 3.16383 3.17050 3.17760 3.18808 3.19844 3.20530 3.21173 3.22120 3.22603 3.22993 3.27789 3.29447 3.29762 3.30023 3.30867 3.31406 3.32452 3.32819 3.33038 3.33660 3.34361 3.34763 3.35309 3.38833 3.66717 3.67472 3.68110 3.69305 3.69688 3.72077 3.72665 3.74372 3.74784 3.75089 3.76094 3.76801 3.78425 3.79707 3.89677 3.90446 3.90838 3.90964 3.91368 3.91850 3.92123 3.92480 3.93446 3.93602 3.94626 3.95921 3.97359 4.00074 4.98721 5.00443 5.01083 5.01444 5.02027 5.03129 5.03243 5.03770 5.04198 5.05000 5.05838 5.10871 5.12406 5.13779 5.36934 5.37855 5.39610 5.40011 5.40691 5.41383 5.42732 5.43361 5.45356 5.46857 5.47447 5.51148 5.53020 5.55123 5.64468 5.64912 5.65488 5.65960 5.66099 5.66748 5.68217 5.69311 5.69631 5.70852 5.72464 5.73618 5.74526 5.75699 49.87664 49.89217 49.89588 49.91055 49.91064 49.91473 49.92999 49.93163 49.94296 49.94821 49.95562 49.96326 49.96627 49.97800 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.737472 0.407249 0.329645 -0.774864 0.311165 -0.727429 0.289150 0.413475 0.393906 -0.753620 0.304339 -0.624864 0.346130 -0.802837 0.390931 0.409412 -0.725341 0.291402 0.395394 -0.655062 0.360091 0.338409 -0.635305 0.333833 0.340582 -0.750857 0.391990 0.310278 -0.676861 0.354218 0.362642 -0.821227 0.398086 0.426594 -0.676687 0.381175 0.274425 -0.699731 0.410756 0.379400 0.340655 0.376830 -0.00000 1.4501 -1.4846 0.6471 2.1738 -90.2348 -83.4255 -92.6121 -1.7451 -3.1451 0.5500 -1.4774 5.3320 -3.8546 -1.7451 -3.1451 0.5500 42.4065 35.5996 -30.9279 32.1575 -25.3549 -10.9636 -39.9627 -31.4724 59.5594 12.7285 -3426.6675 -1492.8243 -1273.2405 -9.0219 -231.8069 -30.5208 5.3962 127.1426 -13.3246 -653.9055 -676.2552 -429.8701 73.7458 -57.9915 -39.8554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.6955532 RMSD=1.852e-09 Dipole=-0.4494371,-0.407455,0.60285 Quadrupole=3.293709,0.8435838,-4.1372928,1.6653725,-1.6605318,-0.1249762 PG=C01 [X(H28O14)] 0 -1.7213317186 -1.3750102045 0.2788288618 0 2.4745469748 -2.1810719757 0.544569071 0 1.193213924 -2.3027799877 -1.1540202666 0 -1.1200254768 0.8480218293 -3.2006854907 0 -1.1966172469 0.7958016442 -4.1577664415 0 -1.8669151675 2.9230072514 -0.0253072826 0 -2.5271027181 3.5876099498 0.1936524552 0 -0.7512757795 1.7543879518 -2.9773792361 0 -2.3620255742 2.1301527417 -0.3681013362 0 2.809653652 -1.6021657296 1.2863716396 0 3.7262159187 -1.8488791205 1.4435333804 0 1.6298371012 -3.0053964997 -0.635142067 0 0.898440284 -3.4821377227 -0.2034509849 0 1.8801347028 0.824462105 0.2102784052 0 2.3563593187 0.1095966851 0.6741376182 0 1.2630413238 1.249858172 0.8626018283 0 -1.2799087636 -0.3306123827 2.714927818 0 -2.0800990471 -0.3002414616 3.2481603822 0 -1.5371926127 -0.6813289587 1.8224463951 0 0.639662095 -2.4011417694 2.9266985669 0 1.4668041767 -2.0630605279 2.5353302745 0 0.0647778071 -1.6253317719 3.0559468401 0 -3.009438799 0.7615546075 -1.1018075747 0 -2.831161859 -0.0705324562 -0.6312160217 0 -2.5265359515 0.6898947254 -1.9466509922 0 -0.547491556 -3.8181783745 1.0138158064 0 -0.1187173316 -3.3918572857 1.8063171938 0 -0.8203871592 -4.7022967675 1.2757568355 0 0.0604192965 1.9681482243 1.8002540351 0 -0.4202076127 1.2610365396 2.2672146651 0 -0.6061266787 2.3897259067 1.2253969385 0 0.2870505468 -0.6972105831 -1.3938351351 0 0.8669987764 -0.0581330261 -0.9167620667 0 -0.0975524104 -0.2299894058 -2.1631493651 0 2.4283068551 2.786041927 -1.5912024334 0 2.4114949128 2.0784233905 -0.9113266884 0 3.0112134963 3.4732074421 -1.2573376718 0 -0.2039105673 3.1366191405 -2.3253057114 0 0.7476258049 3.1083348073 -2.0885111697 0 -0.9695623519 -1.1244032536 -0.3159445948 0 -0.6952913966 3.2570679046 -1.4934087064 0 -1.6028765974 -2.3315755423 0.4274827214 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read 1/29=2,38=1,163=2,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1,40=2,113=1,114=1,124=2103/1,12 99/5=1,9=1/99 Wavefunction 14H2O CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 490 A 476 A 476 728 490 70 70 1297.3134756422 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0450154547 0.000000 4.280859 0.000000 3.377631 2.131158 0.000000 4.172584 6.010266 4.412195 0.000000 4.967004 6.667172 4.933051 0.961560 0.000000 4.311223 6.724930 6.160133 3.866062 4.695905 0.000000 5.028332 7.643123 7.096032 4.583311 5.338467 0.962023 0.000000 4.619203 6.188529 4.854512 1.003664 1.584465 3.365271 4.070590 0.000000 3.621488 6.543093 5.736575 3.348127 4.183328 0.995621 1.570668 3.089344 0.000000 4.647211 0.998849 3.009859 6.448215 7.172105 6.638372 7.523880 6.490473 6.588911 0.000000 5.590784 1.576440 3.656420 7.233816 7.912217 7.497433 8.379834 7.250926 7.495425 0.962109 0.000000 3.837165 1.668761 0.976496 5.384477 5.903121 6.909786 7.838034 5.814750 6.510003 2.655793 3.170683 0.000000 3.396437 2.176331 1.543165 5.639849 6.190851 6.978883 7.865963 6.151215 6.492731 3.067019 3.657377 0.973951 0.000000 4.220538 3.081933 3.480347 4.542707 5.342943 4.301136 5.201827 4.236773 4.476078 2.812562 3.475009 3.930038 4.436406 0.000000 4.357510 2.297372 3.242627 5.257830 6.036706 5.122553 6.014619 5.069153 5.237563 1.873616 2.510798 3.456187 3.974449 0.976211 0.000000 4.017114 3.652420 4.085692 4.727662 5.608938 3.658475 4.503084 4.365487 3.928188 3.271946 4.000860 4.526032 4.864277 0.993626 1.590930 0.000000 2.687043 4.714933 4.997453 6.034005 6.964889 4.294125 4.823359 6.085149 4.090405 4.514659 5.383573 5.181125 4.816041 4.194442 4.192977 3.520738 0.000000 3.178171 5.620652 5.839857 6.620262 7.538541 4.598953 4.964395 6.689142 4.366194 5.427090 6.274412 6.013446 5.559657 5.116360 5.145457 4.389793 0.962062 0.000000 1.702309 4.469480 4.352422 5.267333 6.169348 4.063761 4.675118 5.439550 3.658316 4.475532 5.404648 4.633693 4.228605 4.067508 4.135689 3.534416 0.992834 1.572462 0.000000 3.693027 3.014925 4.119267 7.155306 7.986364 6.583603 7.305004 7.352637 6.355979 2.835119 3.468658 3.745968 3.321649 4.395706 3.784823 4.240153 2.831376 3.451698 2.985938 0.000000 3.966034 2.234413 3.707239 6.933106 7.750126 6.521612 7.305123 7.062773 6.377530 1.890917 2.518499 3.311566 3.136517 3.730214 2.995962 3.716849 3.252394 4.024448 3.382511 0.975516 0.000000 3.311379 3.524607 4.410910 6.831302 7.713019 5.823483 6.487321 6.963438 5.631798 3.265927 4.006991 4.240062 3.842707 4.170712 3.732873 3.809634 1.897571 2.528499 2.231361 0.974206 1.558309 0.000000 2.851366 6.437679 5.201458 2.825358 3.553362 2.671346 3.146022 3.098836 1.682418 6.719554 7.659123 5.994212 5.838449 5.062949 5.689536 4.727730 4.330309 4.573107 3.577804 6.288676 6.422147 5.695170 0.000000 1.939476 5.829871 4.631615 3.220854 3.982314 3.202839 3.762295 3.627774 2.265465 6.151572 7.103964 5.339846 5.072668 4.868824 5.352268 4.553836 3.697392 3.958083 2.840403 5.489728 5.698219 4.939538 0.972424 0.000000 3.140851 6.281676 4.839515 1.890999 2.582427 3.018850 3.602451 2.312379 2.143181 6.646871 7.552194 5.714076 5.672307 4.908075 5.572068 4.750406 4.932122 5.307141 4.130999 6.582466 6.604066 6.091073 0.975751 1.549650 0.000000 2.808412 3.468865 3.166386 6.313734 6.960994 6.947247 7.709554 6.857453 6.370626 4.031801 4.725185 2.849638 1.919735 5.300297 4.896442 5.383855 3.948840 4.440390 3.387214 2.660159 3.074546 3.058390 5.613466 4.686804 5.744885 0.000000 2.994873 3.127783 3.416263 6.636962 7.366726 6.803570 7.557379 7.054624 6.344535 3.471123 4.158835 3.027791 2.254313 4.931541 4.434864 4.934104 3.397817 3.934974 3.059297 1.676875 2.193408 2.171602 5.836462 4.932557 6.045086 0.996823 0.000000 3.588370 4.212814 3.964352 7.136831 7.739109 7.805975 8.532666 7.731929 7.194532 4.773691 5.370451 3.540424 2.575114 6.242846 5.797239 6.319772 4.625365 4.985513 4.120784 3.186325 3.712592 3.663374 6.348105 5.397500 6.509269 0.961639 1.578318 0.000000 4.082411 4.961934 5.315241 5.259043 6.201012 2.821178 3.449506 4.850806 3.255188 4.535362 5.304245 5.755899 5.867089 2.673463 3.161280 1.685655 2.813789 3.438582 3.093960 4.549186 4.332309 3.806558 4.393388 4.292960 4.729225 5.871083 5.363002 6.748759 0.000000 3.548992 4.816142 5.196996 5.527952 6.488423 3.179743 3.761863 5.278140 3.386873 4.426283 5.248129 5.552370 5.508241 3.116594 3.401916 2.192348 1.863566 2.480944 2.284351 3.869082 3.831752 3.031243 4.278307 3.998334 4.745470 5.233129 4.685376 6.058422 0.974198 0.000000 4.038925 5.553942 5.560473 4.714992 5.645150 1.854249 2.487885 4.253005 2.385329 5.254186 6.064862 6.129314 6.227689 3.108378 3.778783 2.219168 3.173787 3.674247 3.264158 5.234389 5.083333 4.463375 3.720582 3.801403 4.079128 6.211786 5.831101 7.095437 0.975947 1.547220 0.000000 2.700151 3.277865 1.859165 2.762664 3.474143 4.429268 5.366494 3.097752 4.007957 3.790248 4.604873 2.776043 3.089762 2.725176 3.034714 3.136103 4.412674 5.225811 3.697645 4.657760 4.323853 4.550975 3.616645 3.270713 3.185269 4.029105 4.203183 4.939014 4.166258 4.211678 4.145759 0.000000 3.140551 3.037527 2.280602 3.160014 3.935966 4.142001 5.103370 3.185936 3.939064 3.318395 4.117389 3.057384 3.497658 1.753750 2.185701 2.243619 4.227603 5.107894 3.697536 4.507057 4.036885 4.345352 3.966472 3.709189 3.624403 4.457113 4.415939 5.405799 3.484044 3.678969 3.570848 0.986083 0.000000 3.148172 4.213568 2.642136 1.812192 2.497737 4.200286 5.102087 2.242338 3.730993 4.715285 5.500015 3.608541 3.925416 3.264395 3.766590 3.632676 5.020332 5.763480 4.261601 5.582467 5.280442 5.404840 3.254026 3.137653 2.606342 4.813590 5.074891 5.687715 4.534901 4.685658 4.313213 0.978805 1.585363 0.000000 6.166918 5.407021 5.254778 4.351669 4.867071 4.573808 5.327692 3.618776 4.987329 5.261390 5.690051 5.923881 6.599729 2.719121 3.507179 3.120715 6.481293 7.298651 6.277009 7.107570 6.439453 6.829530 5.822983 6.061650 5.391720 7.697871 7.496460 8.651513 4.216375 5.032600 4.159097 4.093529 3.313893 3.975366 0.000000 5.515698 4.501878 4.553905 4.384825 5.020255 4.450072 5.280944 3.791661 4.804609 4.305246 4.764196 5.150970 5.806054 1.764302 2.528441 2.269865 5.707857 6.567632 5.539123 6.159248 5.470263 5.913049 5.581841 5.672911 5.232978 6.872531 6.611470 7.823462 3.590597 4.334719 3.710598 3.528487 2.636356 3.631962 0.981447 0.000000 6.947086 5.958671 6.056222 5.266435 5.769474 5.061300 5.726378 4.479867 5.609477 5.680713 6.010868 6.653393 7.345156 3.232505 3.933613 3.534619 6.975792 7.775596 6.887179 7.591995 6.886203 7.299384 6.604961 6.861740 6.236077 8.425368 8.143191 9.377452 4.507910 5.393591 4.519187 4.983180 4.145361 4.919206 0.960959 1.557180 0.000000 5.425761 6.609702 5.736805 2.615958 3.134136 2.846262 3.456265 1.623383 3.082383 6.676965 7.382766 6.629000 7.037428 4.014785 4.971369 3.984290 6.211555 6.811433 5.792945 7.678669 7.311206 7.190706 3.874128 4.478639 3.394765 7.722499 7.726485 8.648485 4.295979 4.965465 3.650632 3.975793 3.652025 3.372189 2.755065 3.155861 3.404537 0.000000 5.639187 6.155745 5.509264 3.135932 3.661927 3.335713 4.020177 2.206800 3.685998 6.150659 6.776526 6.345730 6.856422 3.432650 4.383227 3.525430 6.245821 6.935019 5.905721 7.451061 6.974271 7.024196 4.538336 5.003661 4.072973 7.699243 7.627105 8.647712 4.110325 4.873263 3.651169 3.895752 3.378426 3.444460 1.782099 2.283625 2.438813 0.980965 0.000000 0.990816 3.703906 2.601643 3.497832 4.300969 4.155869 4.988857 3.926617 3.540312 4.132572 5.066652 3.224422 3.010150 3.492243 3.683039 3.465632 3.148429 3.823006 2.256377 3.838541 3.866100 3.562364 2.887129 2.162312 2.893967 3.033617 3.220137 3.918812 3.886262 3.558767 3.854468 1.709800 2.207005 2.229920 5.335108 4.695117 6.153927 4.772847 4.899673 0.000000 5.064556 6.616237 5.881628 2.983068 3.661688 1.907779 2.512164 2.112664 2.305267 6.604844 7.365192 6.735080 7.044208 3.931023 4.890542 3.662614 5.560874 6.087251 5.216767 7.303067 7.014924 6.716559 3.425816 4.047004 3.185791 7.507805 7.445054 8.428251 3.616715 4.266392 2.855195 4.075688 3.709963 3.600752 3.160426 3.373447 3.720299 0.973661 1.567890 4.545210 0.000000 0.975268 4.081880 3.212492 4.848359 5.565074 5.280661 5.995467 5.386409 4.595245 4.554136 5.446520 3.468954 2.824616 4.705223 4.657865 4.607546 3.056234 3.508601 2.161840 3.358556 3.733371 3.191970 3.726205 2.782417 3.952080 1.915101 2.286506 2.636698 4.810268 4.205970 4.890896 3.091953 3.616050 3.659787 6.820230 6.111929 7.604206 6.279817 6.437990 1.552751 5.978835 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9826,-1.8796,-.6363;2.5525,2.101,-.5098;1.5498,1.1078,-2.1067;-2.562,-.4764,-2.3325;-3.0242,-.4015,-3.1723;-2.8036,-1.4948,1.3892;-3.3674,-2.1038,1.8758;-3.1405,-.0504,-1.6316;-2.4045,-2.0126,.6383;2.5091,2.3731,.4502;2.9622,3.2187,.5236;2.4845,1.3732,-2.01;2.9742,.5329,-1.9589;-.2466,1.9069,.7651;.6773,2.2188,.8121;-.3792,1.2431,1.4924;1.4394,-1.7273,2.0072;1.5437,-2.5952,2.409;1.2281,-1.8733,1.0482;3.6308,-.1102,1.2331;3.2954,.802,1.1495;2.9431,-.6085,1.7103;-1.7512,-2.68,-.7611;-.7794,-2.6744,-.7946;-2.0384,-2.077,-1.4724;3.6209,-1.1202,-1.2278;3.7484,-.7815,-.299;4.4476,-1.5287,-1.5006;-.7163,-.0087,2.5698;.0299,-.6346,2.5476;-1.4857,-.5217,2.2578;-.0833,.437,-1.5238;-.2691,.999,-.7352;-.94,.2372,-1.9529;-2.7187,2.9558,.3382;-1.7788,2.7499,.5318;-3.0179,3.5493,1.0322;-3.8653,.5337,-.3016;-3.548,1.4249,-.0419;.6024,-1.0179,-.9438;-3.6272,-.07,.4242;1.8825,-1.8941,-1.0121; 0.4125168 0.2500812 0.2321082 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 476 RedAO= T EigKep= 1.64D-04 NBF= 476 NBsUse= 476 1.00D-06 EigRej= -1.00D+00 NBFU= 476 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 489 489 489 489 489 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.69555318510 -1070.69555319 1 1.067239953656e+03 -5.127289056224e+03 1.692085089195e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11324130634 LenY= 11323890044 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT11583.200S Tue Nov 5 02:19:44 2024 -19.14674 -19.14187 -19.14146 -19.13945 -19.13586 -19.13181 -19.12604 -19.12270 -19.12267 -19.12230 -19.12194 -19.11901 -19.11196 -19.11094 -1.04270 -1.03482 -1.03373 -1.02991 -1.02751 -1.02158 -1.01945 -1.01244 -1.00917 -1.00696 -1.00587 -0.99944 -0.99344 -0.99315 -0.56271 -0.56088 -0.55813 -0.55640 -0.55250 -0.54565 -0.54535 -0.54322 -0.53447 -0.53337 -0.52988 -0.52709 -0.52643 -0.52484 -0.45996 -0.44524 -0.43869 -0.42551 -0.42365 -0.41985 -0.40908 -0.40297 -0.39932 -0.39124 -0.38501 -0.38209 -0.37320 -0.35942 -0.34424 -0.34148 -0.33987 -0.33547 -0.33514 -0.33194 -0.33020 -0.32600 -0.32180 -0.32041 -0.31809 -0.31702 -0.31209 -0.31025 -0.01225 0.01207 0.01914 0.02560 0.03584 0.03895 0.06273 0.07304 0.07846 0.08938 0.09589 0.09744 0.10052 0.10824 0.11141 0.11543 0.11947 0.12735 0.13613 0.13922 0.14433 0.14745 0.15228 0.15714 0.16144 0.16640 0.17216 0.17743 0.18014 0.18476 0.19026 0.19394 0.19781 0.20530 0.20822 0.21197 0.21686 0.21909 0.22508 0.22915 0.23118 0.23243 0.23601 0.23858 0.24625 0.24964 0.25368 0.25697 0.25933 0.26250 0.26408 0.26653 0.26890 0.27221 0.27406 0.27514 0.28277 0.28807 0.29039 0.29298 0.29432 0.29635 0.30732 0.30979 0.31463 0.31746 0.32374 0.33544 0.34797 0.34972 0.37161 0.38875 0.40422 0.42043 0.43207 0.43735 0.44598 0.45338 0.45882 0.46245 0.48439 0.49683 0.50212 0.50803 0.51429 0.52683 0.53432 0.53952 0.54839 0.55307 0.55907 0.56293 0.57170 0.58064 0.58191 0.59157 0.59421 0.60201 0.61574 0.62141 0.62360 0.62974 0.63476 0.64627 0.64703 0.65232 0.65819 0.67309 0.67784 0.70411 0.70722 0.71627 0.92034 0.92960 0.94322 0.94899 0.95163 0.96328 0.97958 0.98078 0.98423 0.99233 1.00821 1.01855 1.02124 1.02360 1.02784 1.03353 1.03508 1.04048 1.04442 1.04715 1.04830 1.05614 1.05922 1.06394 1.07476 1.07717 1.07869 1.08844 1.09419 1.09807 1.10253 1.10814 1.11556 1.12395 1.12693 1.13108 1.13845 1.14443 1.16151 1.18097 1.19401 1.20435 1.23251 1.24588 1.25642 1.26254 1.27409 1.28948 1.29148 1.29746 1.30534 1.31146 1.31616 1.32350 1.33525 1.33868 1.34954 1.36464 1.37354 1.37747 1.38099 1.38530 1.39102 1.39725 1.41507 1.42221 1.43061 1.43806 1.45149 1.45452 1.45725 1.46609 1.47384 1.48315 1.48858 1.49116 1.51092 1.51380 1.52114 1.52891 1.53540 1.55222 1.56262 1.56947 1.59046 1.59878 1.60154 1.62229 1.63731 1.64142 1.64507 1.66842 1.68573 1.70406 1.71405 1.71746 1.73021 1.73537 1.73927 1.74726 1.75227 1.76469 1.77553 1.78394 1.79263 1.79750 1.81017 1.82805 1.84200 1.85225 1.86710 1.88551 2.01238 2.02148 2.02531 2.03297 2.03343 2.04519 2.17356 2.18402 2.21129 2.22483 2.23800 2.25025 2.25628 2.27507 2.27892 2.29814 2.30992 2.32267 2.34037 2.35117 2.36354 2.37654 2.38091 2.40641 2.41120 2.43494 2.44221 2.47317 2.49960 2.50566 2.51512 2.52802 2.53428 2.54871 2.63251 2.64764 2.65031 2.66545 2.67924 2.69395 2.69753 2.70005 2.71232 2.72646 2.73588 2.74572 2.76032 2.76998 2.78523 2.80227 2.81682 2.83146 2.86500 2.89482 2.89621 2.92889 3.05000 3.06408 3.06923 3.07252 3.07545 3.07715 3.09907 3.10943 3.11360 3.11675 3.11985 3.12382 3.13274 3.13934 3.14729 3.15206 3.15533 3.16031 3.16383 3.17050 3.17760 3.18808 3.19844 3.20530 3.21173 3.22120 3.22603 3.22993 3.27789 3.29447 3.29762 3.30023 3.30867 3.31406 3.32452 3.32819 3.33038 3.33660 3.34361 3.34763 3.35309 3.38833 3.66717 3.67472 3.68110 3.69305 3.69688 3.72077 3.72665 3.74372 3.74784 3.75089 3.76094 3.76801 3.78425 3.79707 3.89677 3.90446 3.90838 3.90964 3.91368 3.91850 3.92123 3.92480 3.93446 3.93602 3.94626 3.95921 3.97359 4.00074 4.98721 5.00443 5.01083 5.01444 5.02027 5.03129 5.03243 5.03770 5.04198 5.05000 5.05838 5.10871 5.12406 5.13779 5.36934 5.37855 5.39610 5.40011 5.40691 5.41383 5.42732 5.43361 5.45356 5.46857 5.47447 5.51148 5.53020 5.55123 5.64468 5.64912 5.65488 5.65960 5.66099 5.66748 5.68217 5.69311 5.69631 5.70852 5.72464 5.73618 5.74526 5.75699 49.87664 49.89217 49.89588 49.91055 49.91064 49.91473 49.92999 49.93163 49.94296 49.94821 49.95562 49.96326 49.96627 49.97800 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.737472 0.407249 0.329645 -0.774864 0.311165 -0.727429 0.289150 0.413475 0.393906 -0.753620 0.304339 -0.624864 0.346130 -0.802837 0.390931 0.409412 -0.725341 0.291402 0.395394 -0.655062 0.360091 0.338409 -0.635305 0.333833 0.340582 -0.750857 0.391990 0.310278 -0.676861 0.354218 0.362642 -0.821227 0.398086 0.426594 -0.676687 0.381175 0.274425 -0.699731 0.410756 0.379400 0.340655 0.376830 0.00000 1.4501 -1.4846 0.6471 2.1738 -90.2348 -83.4255 -92.6121 -1.7451 -3.1451 0.5500 -1.4774 5.3320 -3.8546 -1.7451 -3.1451 0.5500 42.4065 35.5996 -30.9279 32.1575 -25.3549 -10.9636 -39.9627 -31.4724 59.5594 12.7285 -3426.6675 -1492.8243 -1273.2405 -9.0219 -231.8069 -30.5208 5.3962 127.1426 -13.3246 -653.9055 -676.2552 -429.8701 73.7458 -57.9915 -39.8554 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Wavefunction 14H2O CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.6955532 RMSD=1.852e-09 Dipole=-0.4494371,-0.407455,0.60285 Quadrupole=3.293709,0.8435838,-4.1372928,1.6653725,-1.6605318,-0.1249762 PG=C01 [X(H28O14)] 0 -1.7213317186 -1.3750102045 0.2788288618 0 2.4745469748 -2.1810719757 0.544569071 0 1.193213924 -2.3027799877 -1.1540202666 0 -1.1200254768 0.8480218293 -3.2006854907 0 -1.1966172469 0.7958016442 -4.1577664415 0 -1.8669151675 2.9230072514 -0.0253072826 0 -2.5271027181 3.5876099498 0.1936524552 0 -0.7512757795 1.7543879518 -2.9773792361 0 -2.3620255742 2.1301527417 -0.3681013362 0 2.809653652 -1.6021657296 1.2863716396 0 3.7262159187 -1.8488791205 1.4435333804 0 1.6298371012 -3.0053964997 -0.635142067 0 0.898440284 -3.4821377227 -0.2034509849 0 1.8801347028 0.824462105 0.2102784052 0 2.3563593187 0.1095966851 0.6741376182 0 1.2630413238 1.249858172 0.8626018283 0 -1.2799087636 -0.3306123827 2.714927818 0 -2.0800990471 -0.3002414616 3.2481603822 0 -1.5371926127 -0.6813289587 1.8224463951 0 0.639662095 -2.4011417694 2.9266985669 0 1.4668041767 -2.0630605279 2.5353302745 0 0.0647778071 -1.6253317719 3.0559468401 0 -3.009438799 0.7615546075 -1.1018075747 0 -2.831161859 -0.0705324562 -0.6312160217 0 -2.5265359515 0.6898947254 -1.9466509922 0 -0.547491556 -3.8181783745 1.0138158064 0 -0.1187173316 -3.3918572857 1.8063171938 0 -0.8203871592 -4.7022967675 1.2757568355 0 0.0604192965 1.9681482243 1.8002540351 0 -0.4202076127 1.2610365396 2.2672146651 0 -0.6061266787 2.3897259067 1.2253969385 0 0.2870505468 -0.6972105831 -1.3938351351 0 0.8669987764 -0.0581330261 -0.9167620667 0 -0.0975524104 -0.2299894058 -2.1631493651 0 2.4283068551 2.786041927 -1.5912024334 0 2.4114949128 2.0784233905 -0.9113266884 0 3.0112134963 3.4732074421 -1.2573376718 0 -0.2039105673 3.1366191405 -2.3253057114 0 0.7476258049 3.1083348073 -2.0885111697 0 -0.9695623519 -1.1244032536 -0.3159445948 0 -0.6952913966 3.2570679046 -1.4934087064 0 -1.6028765974 -2.3315755423 0.4274827214 Gaussian 16 5-Nov-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 120 C1[X(H28O14)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.7213,-1.375,.2788;2.4745,-2.1811,.5446;1.1932,-2.3028,-1.154;-1.12,.848,-3.2007;-1.1966,.7958,-4.1578;-1.8669,2.923,-.0253;-2.5271,3.5876,.1937;-.7513,1.7544,-2.9774;-2.362,2.1302,-.3681;2.8097,-1.6022,1.2864;3.7262,-1.8489,1.4435;1.6298,-3.0054,-.6351;.8984,-3.4821,-.2035;1.8801,.8245,.2103;2.3564,.1096,.6741;1.263,1.2499,.8626;-1.2799,-.3306,2.7149;-2.0801,-.3002,3.2482;-1.5372,-.6813,1.8224;.6397,-2.4011,2.9267;1.4668,-2.0631,2.5353;.0648,-1.6253,3.0559;-3.0094,.7616,-1.1018;-2.8312,-.0705,-.6312;-2.5265,.6899,-1.9467;-.5475,-3.8182,1.0138;-.1187,-3.3919,1.8063;-.8204,-4.7023,1.2758;.0604,1.9681,1.8003;-.4202,1.261,2.2672;-.6061,2.3897,1.2254;.2871,-.6972,-1.3938;.867,-.0581,-.9168;-.0976,-.23,-2.1631;2.4283,2.786,-1.5912;2.4115,2.0784,-.9113;3.0112,3.4732,-1.2573;-.2039,3.1366,-2.3253;.7476,3.1083,-2.0885;-.9696,-1.1244,-.3159;-.6953,3.2571,-1.4934;-1.6029,-2.3316,.4275; oldchk=/home/lamsabhi/diver/BF3-H2O/14H2O/gas/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=re 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=41/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point 14H2O CONF7 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 16 1 1 16 1 16 1 1 1 16 1 16 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 16 1 1 1 1 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 1.0078250 1.0078250 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 0 1 1 1 1 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 5.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 798 A 798 1120 882 70 70 1297.3134756422 42 42 42 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0450154547 0.000000 4.280859 0.000000 3.377631 2.131158 0.000000 4.172584 6.010266 4.412195 0.000000 4.967004 6.667172 4.933051 0.961560 0.000000 4.311223 6.724930 6.160133 3.866062 4.695905 0.000000 5.028332 7.643123 7.096032 4.583311 5.338467 0.962023 0.000000 4.619203 6.188529 4.854512 1.003664 1.584465 3.365271 4.070590 0.000000 3.621488 6.543093 5.736575 3.348127 4.183328 0.995621 1.570668 3.089344 0.000000 4.647211 0.998849 3.009859 6.448215 7.172105 6.638372 7.523880 6.490473 6.588911 0.000000 5.590784 1.576440 3.656420 7.233816 7.912217 7.497433 8.379834 7.250926 7.495425 0.962109 0.000000 3.837165 1.668761 0.976496 5.384477 5.903121 6.909786 7.838034 5.814750 6.510003 2.655793 3.170683 0.000000 3.396437 2.176331 1.543165 5.639849 6.190851 6.978883 7.865963 6.151215 6.492731 3.067019 3.657377 0.973951 0.000000 4.220538 3.081933 3.480347 4.542707 5.342943 4.301136 5.201827 4.236773 4.476078 2.812562 3.475009 3.930038 4.436406 0.000000 4.357510 2.297372 3.242627 5.257830 6.036706 5.122553 6.014619 5.069153 5.237563 1.873616 2.510798 3.456187 3.974449 0.976211 0.000000 4.017114 3.652420 4.085692 4.727662 5.608938 3.658475 4.503084 4.365487 3.928188 3.271946 4.000860 4.526032 4.864277 0.993626 1.590930 0.000000 2.687043 4.714933 4.997453 6.034005 6.964889 4.294125 4.823359 6.085149 4.090405 4.514659 5.383573 5.181125 4.816041 4.194442 4.192977 3.520738 0.000000 3.178171 5.620652 5.839857 6.620262 7.538541 4.598953 4.964395 6.689142 4.366194 5.427090 6.274412 6.013446 5.559657 5.116360 5.145457 4.389793 0.962062 0.000000 1.702309 4.469480 4.352422 5.267333 6.169348 4.063761 4.675118 5.439550 3.658316 4.475532 5.404648 4.633693 4.228605 4.067508 4.135689 3.534416 0.992834 1.572462 0.000000 3.693027 3.014925 4.119267 7.155306 7.986364 6.583603 7.305004 7.352637 6.355979 2.835119 3.468658 3.745968 3.321649 4.395706 3.784823 4.240153 2.831376 3.451698 2.985938 0.000000 3.966034 2.234413 3.707239 6.933106 7.750126 6.521612 7.305123 7.062773 6.377530 1.890917 2.518499 3.311566 3.136517 3.730214 2.995962 3.716849 3.252394 4.024448 3.382511 0.975516 0.000000 3.311379 3.524607 4.410910 6.831302 7.713019 5.823483 6.487321 6.963438 5.631798 3.265927 4.006991 4.240062 3.842707 4.170712 3.732873 3.809634 1.897571 2.528499 2.231361 0.974206 1.558309 0.000000 2.851366 6.437679 5.201458 2.825358 3.553362 2.671346 3.146022 3.098836 1.682418 6.719554 7.659123 5.994212 5.838449 5.062949 5.689536 4.727730 4.330309 4.573107 3.577804 6.288676 6.422147 5.695170 0.000000 1.939476 5.829871 4.631615 3.220854 3.982314 3.202839 3.762295 3.627774 2.265465 6.151572 7.103964 5.339846 5.072668 4.868824 5.352268 4.553836 3.697392 3.958083 2.840403 5.489728 5.698219 4.939538 0.972424 0.000000 3.140851 6.281676 4.839515 1.890999 2.582427 3.018850 3.602451 2.312379 2.143181 6.646871 7.552194 5.714076 5.672307 4.908075 5.572068 4.750406 4.932122 5.307141 4.130999 6.582466 6.604066 6.091073 0.975751 1.549650 0.000000 2.808412 3.468865 3.166386 6.313734 6.960994 6.947247 7.709554 6.857453 6.370626 4.031801 4.725185 2.849638 1.919735 5.300297 4.896442 5.383855 3.948840 4.440390 3.387214 2.660159 3.074546 3.058390 5.613466 4.686804 5.744885 0.000000 2.994873 3.127783 3.416263 6.636962 7.366726 6.803570 7.557379 7.054624 6.344535 3.471123 4.158835 3.027791 2.254313 4.931541 4.434864 4.934104 3.397817 3.934974 3.059297 1.676875 2.193408 2.171602 5.836462 4.932557 6.045086 0.996823 0.000000 3.588370 4.212814 3.964352 7.136831 7.739109 7.805975 8.532666 7.731929 7.194532 4.773691 5.370451 3.540424 2.575114 6.242846 5.797239 6.319772 4.625365 4.985513 4.120784 3.186325 3.712592 3.663374 6.348105 5.397500 6.509269 0.961639 1.578318 0.000000 4.082411 4.961934 5.315241 5.259043 6.201012 2.821178 3.449506 4.850806 3.255188 4.535362 5.304245 5.755899 5.867089 2.673463 3.161280 1.685655 2.813789 3.438582 3.093960 4.549186 4.332309 3.806558 4.393388 4.292960 4.729225 5.871083 5.363002 6.748759 0.000000 3.548992 4.816142 5.196996 5.527952 6.488423 3.179743 3.761863 5.278140 3.386873 4.426283 5.248129 5.552370 5.508241 3.116594 3.401916 2.192348 1.863566 2.480944 2.284351 3.869082 3.831752 3.031243 4.278307 3.998334 4.745470 5.233129 4.685376 6.058422 0.974198 0.000000 4.038925 5.553942 5.560473 4.714992 5.645150 1.854249 2.487885 4.253005 2.385329 5.254186 6.064862 6.129314 6.227689 3.108378 3.778783 2.219168 3.173787 3.674247 3.264158 5.234389 5.083333 4.463375 3.720582 3.801403 4.079128 6.211786 5.831101 7.095437 0.975947 1.547220 0.000000 2.700151 3.277865 1.859165 2.762664 3.474143 4.429268 5.366494 3.097752 4.007957 3.790248 4.604873 2.776043 3.089762 2.725176 3.034714 3.136103 4.412674 5.225811 3.697645 4.657760 4.323853 4.550975 3.616645 3.270713 3.185269 4.029105 4.203183 4.939014 4.166258 4.211678 4.145759 0.000000 3.140551 3.037527 2.280602 3.160014 3.935966 4.142001 5.103370 3.185936 3.939064 3.318395 4.117389 3.057384 3.497658 1.753750 2.185701 2.243619 4.227603 5.107894 3.697536 4.507057 4.036885 4.345352 3.966472 3.709189 3.624403 4.457113 4.415939 5.405799 3.484044 3.678969 3.570848 0.986083 0.000000 3.148172 4.213568 2.642136 1.812192 2.497737 4.200286 5.102087 2.242338 3.730993 4.715285 5.500015 3.608541 3.925416 3.264395 3.766590 3.632676 5.020332 5.763480 4.261601 5.582467 5.280442 5.404840 3.254026 3.137653 2.606342 4.813590 5.074891 5.687715 4.534901 4.685658 4.313213 0.978805 1.585363 0.000000 6.166918 5.407021 5.254778 4.351669 4.867071 4.573808 5.327692 3.618776 4.987329 5.261390 5.690051 5.923881 6.599729 2.719121 3.507179 3.120715 6.481293 7.298651 6.277009 7.107570 6.439453 6.829530 5.822983 6.061650 5.391720 7.697871 7.496460 8.651513 4.216375 5.032600 4.159097 4.093529 3.313893 3.975366 0.000000 5.515698 4.501878 4.553905 4.384825 5.020255 4.450072 5.280944 3.791661 4.804609 4.305246 4.764196 5.150970 5.806054 1.764302 2.528441 2.269865 5.707857 6.567632 5.539123 6.159248 5.470263 5.913049 5.581841 5.672911 5.232978 6.872531 6.611470 7.823462 3.590597 4.334719 3.710598 3.528487 2.636356 3.631962 0.981447 0.000000 6.947086 5.958671 6.056222 5.266435 5.769474 5.061300 5.726378 4.479867 5.609477 5.680713 6.010868 6.653393 7.345156 3.232505 3.933613 3.534619 6.975792 7.775596 6.887179 7.591995 6.886203 7.299384 6.604961 6.861740 6.236077 8.425368 8.143191 9.377452 4.507910 5.393591 4.519187 4.983180 4.145361 4.919206 0.960959 1.557180 0.000000 5.425761 6.609702 5.736805 2.615958 3.134136 2.846262 3.456265 1.623383 3.082383 6.676965 7.382766 6.629000 7.037428 4.014785 4.971369 3.984290 6.211555 6.811433 5.792945 7.678669 7.311206 7.190706 3.874128 4.478639 3.394765 7.722499 7.726485 8.648485 4.295979 4.965465 3.650632 3.975793 3.652025 3.372189 2.755065 3.155861 3.404537 0.000000 5.639187 6.155745 5.509264 3.135932 3.661927 3.335713 4.020177 2.206800 3.685998 6.150659 6.776526 6.345730 6.856422 3.432650 4.383227 3.525430 6.245821 6.935019 5.905721 7.451061 6.974271 7.024196 4.538336 5.003661 4.072973 7.699243 7.627105 8.647712 4.110325 4.873263 3.651169 3.895752 3.378426 3.444460 1.782099 2.283625 2.438813 0.980965 0.000000 0.990816 3.703906 2.601643 3.497832 4.300969 4.155869 4.988857 3.926617 3.540312 4.132572 5.066652 3.224422 3.010150 3.492243 3.683039 3.465632 3.148429 3.823006 2.256377 3.838541 3.866100 3.562364 2.887129 2.162312 2.893967 3.033617 3.220137 3.918812 3.886262 3.558767 3.854468 1.709800 2.207005 2.229920 5.335108 4.695117 6.153927 4.772847 4.899673 0.000000 5.064556 6.616237 5.881628 2.983068 3.661688 1.907779 2.512164 2.112664 2.305267 6.604844 7.365192 6.735080 7.044208 3.931023 4.890542 3.662614 5.560874 6.087251 5.216767 7.303067 7.014924 6.716559 3.425816 4.047004 3.185791 7.507805 7.445054 8.428251 3.616715 4.266392 2.855195 4.075688 3.709963 3.600752 3.160426 3.373447 3.720299 0.973661 1.567890 4.545210 0.000000 0.975268 4.081880 3.212492 4.848359 5.565074 5.280661 5.995467 5.386409 4.595245 4.554136 5.446520 3.468954 2.824616 4.705223 4.657865 4.607546 3.056234 3.508601 2.161840 3.358556 3.733371 3.191970 3.726205 2.782417 3.952080 1.915101 2.286506 2.636698 4.810268 4.205970 4.890896 3.091953 3.616050 3.659787 6.820230 6.111929 7.604206 6.279817 6.437990 1.552751 5.978835 0.000000 H28O14 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 223.99160000000003 AuxInfo=1/0/N:1;4;6;10;12;14;17;20;23;26;29;32;35;38;2;3;5;7;8;9;11;13;15;16;18;19;21;22;24;25;27;28;30;31;33;34;36;37;39;40;41;42/rA:42nO0H0H0O0H0O0H0H0H0O0H0O0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0O0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9826,-1.8796,-.6363;2.5525,2.101,-.5098;1.5498,1.1078,-2.1067;-2.562,-.4764,-2.3325;-3.0242,-.4015,-3.1723;-2.8036,-1.4948,1.3892;-3.3674,-2.1038,1.8758;-3.1405,-.0504,-1.6316;-2.4045,-2.0126,.6383;2.5091,2.3731,.4502;2.9622,3.2187,.5236;2.4845,1.3732,-2.01;2.9742,.5329,-1.9589;-.2466,1.9069,.7651;.6773,2.2188,.8121;-.3792,1.2431,1.4924;1.4394,-1.7273,2.0072;1.5437,-2.5952,2.409;1.2281,-1.8733,1.0482;3.6308,-.1102,1.2331;3.2954,.802,1.1495;2.9431,-.6085,1.7103;-1.7512,-2.68,-.7611;-.7794,-2.6744,-.7946;-2.0384,-2.077,-1.4724;3.6209,-1.1202,-1.2278;3.7484,-.7815,-.299;4.4476,-1.5287,-1.5006;-.7163,-.0087,2.5698;.0299,-.6346,2.5476;-1.4857,-.5217,2.2578;-.0833,.437,-1.5238;-.2691,.999,-.7352;-.94,.2372,-1.9529;-2.7187,2.9558,.3382;-1.7788,2.7499,.5318;-3.0179,3.5493,1.0322;-3.8653,.5337,-.3016;-3.548,1.4249,-.0419;.6024,-1.0179,-.9438;-3.6272,-.07,.4242;1.8825,-1.8941,-1.0121; 0.4125168 0.2500812 0.2321082 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 798 RedAO= T EigKep= 8.67D-05 NBF= 798 NBsUse= 798 1.00D-06 EigRej= -1.00D+00 NBFU= 798 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 875 875 875 875 875 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 1 1 -1070.70694350182 -1070.73639648256 -0.029452980735 -1070.73656782668 -0.000171344120 -1070.73667307700 -0.000105250324 -1070.73669022010 -0.000017143104 -1070.73669092860 -0.000000708494 -1070.73669098995 -0.000000061353 -1070.73669100142 -0.000000011471 -1070.73669100153 -0.000000000109 -1070.73669100 9 1.067128775649e+03 -5.127480996036e+03 1.692347069198e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323049106 LenY= 11322270300 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT3150.200S Tue Nov 5 02:26:20 2024 -19.14449 -19.13975 -19.13970 -19.13771 -19.13444 -19.12962 -19.12395 -19.12226 -19.12165 -19.12099 -19.12090 -19.11842 -19.11122 -19.11051 -1.03974 -1.03205 -1.03134 -1.02708 -1.02498 -1.01904 -1.01727 -1.01017 -1.00708 -1.00460 -1.00365 -0.99705 -0.99161 -0.99088 -0.55945 -0.55794 -0.55534 -0.55375 -0.54984 -0.54322 -0.54291 -0.54054 -0.53222 -0.53119 -0.52783 -0.52515 -0.52439 -0.52308 -0.45856 -0.44420 -0.43756 -0.42424 -0.42239 -0.41893 -0.40806 -0.40236 -0.39845 -0.39051 -0.38441 -0.38156 -0.37287 -0.35903 -0.34266 -0.33993 -0.33845 -0.33440 -0.33395 -0.33029 -0.32864 -0.32478 -0.32127 -0.31998 -0.31805 -0.31689 -0.31218 -0.30989 -0.01204 0.01161 0.01860 0.02489 0.03509 0.03796 0.06216 0.07243 0.07777 0.08888 0.09543 0.09714 0.10064 0.10823 0.11124 0.11528 0.11906 0.12709 0.13535 0.13822 0.14299 0.14613 0.15088 0.15554 0.16000 0.16479 0.16995 0.17598 0.17837 0.18345 0.18835 0.19235 0.19524 0.20277 0.20562 0.20862 0.21357 0.21540 0.22078 0.22308 0.22572 0.22984 0.23269 0.23629 0.24241 0.24747 0.25225 0.25377 0.25712 0.25932 0.26169 0.26422 0.26578 0.26924 0.26953 0.27331 0.28059 0.28594 0.28695 0.28793 0.29165 0.29315 0.30279 0.30643 0.30843 0.30865 0.31741 0.32931 0.33714 0.34199 0.36190 0.37090 0.37973 0.39488 0.41742 0.42294 0.43097 0.44074 0.44291 0.44581 0.45625 0.46611 0.47368 0.47931 0.49242 0.49617 0.49745 0.50226 0.50658 0.51377 0.51657 0.52006 0.52528 0.53060 0.53313 0.54158 0.54471 0.55100 0.55360 0.55907 0.57101 0.57561 0.57863 0.58759 0.59209 0.59385 0.60515 0.61376 0.62466 0.62798 0.63127 0.63988 0.64449 0.64598 0.66049 0.66393 0.66996 0.68072 0.68434 0.69365 0.69413 0.69932 0.70757 0.72015 0.73051 0.73393 0.74289 0.74877 0.75336 0.75938 0.77486 0.77924 0.79229 0.80073 0.80135 0.81179 0.82223 0.82426 0.83388 0.83492 0.83956 0.84610 0.84943 0.85457 0.86289 0.87076 0.87562 0.88216 0.88424 0.88795 0.89175 0.90019 0.90080 0.90629 0.91560 0.92380 0.92619 0.92930 0.93318 0.93481 0.94301 0.94729 0.94889 0.95144 0.95582 0.95598 0.96627 0.96992 0.97527 0.98388 0.98498 0.98823 0.99312 0.99803 1.00518 1.00657 1.02073 1.02426 1.03198 1.03630 1.03705 1.04092 1.04651 1.05182 1.05567 1.05908 1.06598 1.06896 1.07310 1.07630 1.08142 1.08363 1.09252 1.09692 1.09944 1.10182 1.11164 1.11810 1.12000 1.12655 1.13258 1.14508 1.14962 1.15656 1.16462 1.16637 1.16852 1.17428 1.18418 1.18803 1.19435 1.20737 1.21063 1.21537 1.22155 1.22432 1.23625 1.24155 1.24378 1.25178 1.25534 1.26463 1.26481 1.27189 1.27989 1.28688 1.29299 1.30343 1.31537 1.32440 1.32835 1.33102 1.34259 1.35150 1.36508 1.37234 1.38256 1.38642 1.39609 1.39907 1.40336 1.41212 1.41884 1.42357 1.42926 1.44045 1.44532 1.45054 1.46520 1.47050 1.47577 1.48282 1.48760 1.50559 1.51466 1.51992 1.52324 1.53066 1.53453 1.53920 1.54508 1.54915 1.56119 1.56341 1.56991 1.58392 1.58865 1.59755 1.61201 1.62947 1.63334 1.64959 1.65477 1.66392 1.68221 1.68904 1.70471 1.71305 1.72197 1.73460 1.73815 1.76364 1.77062 1.78148 1.80909 1.81063 1.82870 1.84339 1.88527 1.89229 1.89967 1.92380 1.93312 1.95739 1.99321 2.00591 2.02995 2.04325 2.05146 2.07586 2.08766 2.09901 2.11372 2.13037 2.13564 2.16124 2.16911 2.17587 2.18314 2.18764 2.19112 2.20697 2.21442 2.23522 2.25543 2.28010 2.28569 2.29519 2.30673 2.32025 2.35696 2.36636 2.70262 2.71428 2.72588 2.72847 2.74195 2.74525 2.74613 2.76553 2.76747 2.77331 2.78495 2.80549 2.82543 2.82923 2.85274 2.86005 2.87644 2.88371 2.90303 2.92056 2.93265 2.94983 2.97935 2.99125 3.02230 3.07237 3.08420 3.10001 3.12675 3.13392 3.14568 3.16498 3.17205 3.18247 3.18868 3.19537 3.21172 3.21960 3.22848 3.23563 3.24855 3.25462 3.26040 3.26248 3.28300 3.29444 3.30571 3.31485 3.31778 3.33171 3.34008 3.34482 3.36566 3.37053 3.37134 3.37999 3.38143 3.39610 3.40323 3.41183 3.41576 3.42469 3.42923 3.43098 3.43537 3.44429 3.44490 3.46121 3.46123 3.46536 3.47300 3.47358 3.47752 3.48492 3.48982 3.49620 3.49746 3.50376 3.50910 3.51553 3.51760 3.51904 3.52753 3.53625 3.54448 3.54682 3.55412 3.56257 3.56482 3.57473 3.57508 3.59652 3.60227 3.61138 3.62829 3.64500 3.65353 3.67780 3.79273 3.80502 3.80830 3.81262 3.81744 3.83146 3.83935 3.84856 3.88457 3.91345 3.93546 3.98462 4.00403 4.01172 4.01985 4.03804 4.04194 4.04582 4.05538 4.05921 4.11487 4.14166 4.14412 4.15314 4.15845 4.16203 4.17841 4.18027 4.18266 4.19503 4.19742 4.21034 4.22907 4.24451 4.24718 4.27194 4.28125 4.28990 4.30105 4.31395 4.31813 4.33100 4.33394 4.33989 4.34713 4.34956 4.35641 4.35955 4.36788 4.37528 4.37718 4.39575 4.41411 4.42973 4.46631 4.48246 4.63260 4.63552 4.63783 4.64445 4.65479 4.65871 4.69869 4.70547 4.71327 4.73373 4.73907 4.74667 4.75724 4.77022 4.82597 4.84016 4.85547 4.85928 4.86372 4.86596 4.87327 4.87801 4.88275 4.89177 4.89588 4.90718 4.91980 4.92293 5.07731 5.08590 5.09077 5.09535 5.09942 5.10854 5.13465 5.13600 5.14236 5.14951 5.15072 5.16151 5.16916 5.17466 5.17972 5.19074 5.20064 5.21094 5.21909 5.23345 5.23964 5.24478 5.24981 5.25502 5.25851 5.26870 5.27210 5.28558 5.28877 5.29954 5.30185 5.31004 5.31460 5.31726 5.32697 5.33184 5.33748 5.35061 5.35142 5.35682 5.36572 5.37714 5.37880 5.38496 5.38902 5.39357 5.39439 5.39977 5.40801 5.41532 5.42645 5.43679 5.44175 5.44470 5.45394 5.45947 5.47177 5.47324 5.47514 5.48327 5.49555 5.50098 5.51300 5.51485 5.52020 5.53408 5.53677 5.54323 5.55209 5.55653 5.56716 5.57183 5.57247 5.58019 5.58480 5.59188 5.59588 5.59909 5.60323 5.60721 5.61496 5.62235 5.63135 5.63814 5.64272 5.65844 5.67008 5.68227 5.70016 5.71620 5.72262 5.72788 5.73540 5.73707 5.75443 5.76136 5.76632 5.77025 5.78820 5.79615 5.82063 5.83625 5.84449 5.85128 5.85776 5.87545 5.88784 5.89191 5.89722 5.90702 5.95108 5.97167 6.90543 6.91703 6.92774 6.93263 6.94090 6.95303 6.98044 6.98831 6.99552 6.99955 7.00532 7.01462 7.01887 7.02364 7.03050 7.03684 7.04135 7.04671 7.05415 7.07030 7.08886 7.10776 7.11279 7.11604 7.15139 7.15905 7.16816 7.21234 14.34421 14.35517 14.35855 14.35928 14.36856 14.37396 14.39254 14.39326 14.39662 14.39762 14.40418 14.40791 14.40941 14.41453 14.41667 14.42290 14.42423 14.43051 14.43416 14.43446 14.43639 14.44093 14.44372 14.44879 14.45596 14.46187 14.46431 14.46590 14.47017 14.47291 14.47929 14.48656 14.48961 14.49058 14.49492 14.49863 14.50700 14.50834 14.52143 14.52423 14.53133 14.55831 14.65837 14.66440 14.67037 14.67128 14.67389 14.67873 14.67980 14.68841 14.69163 14.69902 14.70808 14.71302 14.71836 14.73235 15.02737 15.03066 15.03394 15.03776 15.04002 15.05386 15.06235 15.07203 15.07340 15.07765 15.08137 15.08473 15.08733 15.09360 50.00652 50.01145 50.02027 50.02169 50.02474 50.03890 50.04954 50.06012 50.07401 50.07943 50.07968 50.09371 50.10640 50.13841 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 O H H O H O H H H O H O H O H H O H H O H H O H H O H H O H H O H H O H H O H H H H -0.818148 0.484181 0.331943 -0.752675 0.267865 -0.743233 0.257288 0.490311 0.475590 -0.756304 0.264842 -0.667042 0.324699 -0.835402 0.374223 0.466691 -0.744775 0.251448 0.478725 -0.683134 0.353294 0.341728 -0.644834 0.321524 0.319486 -0.718379 0.457484 0.267974 -0.739746 0.365930 0.376722 -0.841472 0.439092 0.403874 -0.685257 0.424268 0.233780 -0.755556 0.430645 0.511153 0.349219 0.321976 -0.00000 1.3580 -1.4006 0.5907 2.0383 -89.0779 -82.9462 -91.7279 -1.6188 -2.8674 0.4310 -1.1606 4.9711 -3.8106 -1.6188 -2.8674 0.4310 40.0392 33.9557 -29.7037 30.5969 -23.7895 -11.1372 -38.2164 -30.1464 57.0389 12.4611 -3390.1621 -1485.5511 -1263.9529 -10.8991 -220.9058 -27.2541 3.9750 122.9942 -13.8094 -650.3832 -671.3350 -428.8461 69.6358 -55.9238 -38.2792 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GARGANTILLA LAMSABHI 05-Nov-2024 0 Single Point 14H2O CONF7 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1070.736691 RMSD=7.334e-09 Dipole=-0.4253443,-0.3852421,0.5601355 Quadrupole=3.0691354,0.8024331,-3.8715686,1.48564,-1.5811811,-0.2784922 PG=C01 [X(H28O14)] 0 -1.7213317186 -1.3750102045 0.2788288618 0 2.4745469748 -2.1810719757 0.544569071 0 1.193213924 -2.3027799877 -1.1540202666 0 -1.1200254768 0.8480218293 -3.2006854907 0 -1.1966172469 0.7958016442 -4.1577664415 0 -1.8669151675 2.9230072514 -0.0253072826 0 -2.5271027181 3.5876099498 0.1936524552 0 -0.7512757795 1.7543879518 -2.9773792361 0 -2.3620255742 2.1301527417 -0.3681013362 0 2.809653652 -1.6021657296 1.2863716396 0 3.7262159187 -1.8488791205 1.4435333804 0 1.6298371012 -3.0053964997 -0.635142067 0 0.898440284 -3.4821377227 -0.2034509849 0 1.8801347028 0.824462105 0.2102784052 0 2.3563593187 0.1095966851 0.6741376182 0 1.2630413238 1.249858172 0.8626018283 0 -1.2799087636 -0.3306123827 2.714927818 0 -2.0800990471 -0.3002414616 3.2481603822 0 -1.5371926127 -0.6813289587 1.8224463951 0 0.639662095 -2.4011417694 2.9266985669 0 1.4668041767 -2.0630605279 2.5353302745 0 0.0647778071 -1.6253317719 3.0559468401 0 -3.009438799 0.7615546075 -1.1018075747 0 -2.831161859 -0.0705324562 -0.6312160217 0 -2.5265359515 0.6898947254 -1.9466509922 0 -0.547491556 -3.8181783745 1.0138158064 0 -0.1187173316 -3.3918572857 1.8063171938 0 -0.8203871592 -4.7022967675 1.2757568355 0 0.0604192965 1.9681482243 1.8002540351 0 -0.4202076127 1.2610365396 2.2672146651 0 -0.6061266787 2.3897259067 1.2253969385 0 0.2870505468 -0.6972105831 -1.3938351351 0 0.8669987764 -0.0581330261 -0.9167620667 0 -0.0975524104 -0.2299894058 -2.1631493651 0 2.4283068551 2.786041927 -1.5912024334 0 2.4114949128 2.0784233905 -0.9113266884 0 3.0112134963 3.4732074421 -1.2573376718 0 -0.2039105673 3.1366191405 -2.3253057114 0 0.7476258049 3.1083348073 -2.0885111697 0 -0.9695623519 -1.1244032536 -0.3159445948 0 -0.6952913966 3.2570679046 -1.4934087064 0 -1.6028765974 -2.3315755423 0.4274827214