Gaussian 16 GINC-DEPAZ12 ALCAMI Optimization CONF24 gas EM64L-G16RevC.01 8-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 118 118 784 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C16H18ClN7O5S)] C1[X(C16H18ClN7O5S)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 437.73309999999975 0 1 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.9856,-.2995,1.4572;-2.0437,-1.5778,-.1402;-1.8082,-1.888,-1.5314;-2.8521,-2.415,.6994;-1.0434,-.6453,2.5503;3.0166,-1.7355,-2.11;5.6474,-.3738,1.4699;-2.0567,1.1265,-.5563;-.9018,1.1275,-1.2083;-3.9086,1.8743,.426;-.5035,-1.4235,.4759;1.1383,-.7551,1.9753;2.0656,-1.2756,-.0899;3.3913,-.5722,1.7302;-2.6748,.0387,-.0044;-.4883,2.287,-1.635;.8234,2.3225,-2.359;-2.8413,2.2179,-.2695;1.8936,3.1282,-1.6172;-1.2222,3.4894,-1.4278;-2.3966,3.4617,-.7435;-3.8093,.5569,.5984;2.2887,2.5184,-.2812;-.2203,-.929,1.7211;2.2374,-.8804,1.1617;3.1495,-1.3576,-.8527;4.4645,-.6649,.96;4.4139,-1.0525,-.3758;1.7187,-2.066,-2.5913;5.7198,.0153,2.833;1.1676,1.2982,-2.5116;.6654,2.7557,-3.351;1.5491,4.1556,-1.4698;2.773,3.2004,-2.2607;-.832,4.4185,-1.8198;-2.9907,4.344,-.5542;3.038,3.1292,.2212;1.4373,2.4228,.3941;2.7156,1.5252,-.4194;1.338,-.424,2.9072;5.2975,-1.1218,-.9913;1.0279,-1.2236,-2.5284;1.2884,-2.9115,-2.0533;1.8546,-2.3403,-3.6335;5.3552,-.7686,3.4971;5.1513,.9256,3.0248;6.7729,.1966,3.0299;.2722,-1.5037,-.1892; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6479583/Gau-333069.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6479583/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 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=31/1,2,3 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=31/1,2,3 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 CONF24 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 35 32 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 2 2 2 2 5 6 6 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 14 14 15 16 16 17 17 17 18 19 19 19 20 20 21 23 23 23 26 27 28 29 29 29 30 30 30 22 3 4 11 15 24 26 29 27 30 9 15 18 16 18 22 24 48 24 25 40 25 26 25 27 22 17 20 19 31 32 21 23 33 34 21 35 36 37 38 39 28 28 41 42 43 44 45 46 47 1.6895 1.4447 1.435 1.666 1.7407 1.2023 1.3196 1.4232 1.3207 1.4193 1.3262 1.3674 1.3744 1.3028 1.3195 1.3323 1.3694 1.0249 1.3931 1.3731 1.0089 1.3237 1.3279 1.3228 1.3242 1.3852 1.4987 1.4239 1.5313 1.0912 1.0939 1.4033 1.5208 1.0936 1.0921 1.3594 1.0813 1.0804 1.0895 1.0908 1.0899 1.3854 1.3918 1.0791 1.0912 1.0906 1.0863 1.0902 1.0903 1.0866 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 3 3 3 4 4 11 26 27 9 9 15 8 18 2 2 24 24 24 25 25 25 2 2 8 9 9 17 16 16 16 19 19 31 8 8 10 17 17 17 23 23 33 16 16 21 18 18 20 1 1 10 19 19 19 37 37 38 5 5 11 12 12 13 6 6 13 7 7 14 26 26 27 6 6 6 42 42 43 7 7 7 45 45 46 2 2 2 2 2 2 6 7 8 8 8 9 10 11 11 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 4 11 15 11 15 15 29 30 15 18 18 16 22 24 48 48 25 40 40 26 27 8 22 22 17 20 20 19 31 32 31 32 32 10 21 21 23 33 34 33 34 34 21 35 35 20 36 36 10 15 15 37 38 39 38 39 39 11 12 12 13 14 14 13 28 28 14 28 28 27 41 41 42 43 44 43 44 44 45 46 47 46 47 47 122.0038 103.0184 109.4881 111.0086 106.9742 102.7254 118.7204 118.4843 126.346 126.8018 106.8253 115.9816 105.3955 124.1188 116.9059 117.4997 131.3801 113.7382 114.7582 117.1078 116.1472 122.9143 132.7054 104.3772 117.2008 122.7031 120.0938 112.9604 108.7439 108.731 109.9488 109.38 106.8872 111.4005 116.9008 131.6986 113.3399 109.8465 108.1872 109.8839 109.569 105.719 120.0845 119.1337 120.7818 117.5056 119.3613 123.1331 121.0033 126.9986 111.9965 111.0359 112.0967 110.8397 107.4898 107.457 107.718 124.8003 120.8207 114.3763 118.9219 114.9805 126.0951 118.8697 118.88 122.2492 119.0704 117.6769 123.2523 115.1414 122.4715 122.383 112.2426 111.9013 105.6008 108.6851 109.2373 109.0793 111.7729 111.7901 105.6174 108.5908 109.4922 109.522 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 3 3 4 4 15 15 3 3 4 4 11 11 29 29 26 26 26 30 30 27 27 27 15 18 9 9 18 18 9 9 15 15 8 8 22 22 18 18 2 2 48 48 25 25 40 40 24 24 40 40 26 26 25 25 27 27 25 25 2 2 8 8 9 9 9 20 20 20 9 9 17 17 16 16 16 31 31 31 32 32 32 8 8 10 10 17 17 17 33 33 33 34 34 34 16 16 35 35 6 6 13 13 7 7 14 14 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 26 26 26 26 27 27 27 27 11 11 11 11 11 11 15 15 15 15 15 15 26 26 29 29 29 27 27 30 30 30 9 9 15 15 15 15 18 18 18 18 16 16 18 18 22 22 24 24 24 24 24 24 24 24 25 25 25 25 25 25 26 26 25 25 27 27 22 22 22 22 17 17 17 17 17 17 20 20 20 20 19 19 19 19 19 19 19 19 19 21 21 21 21 23 23 23 23 23 23 23 23 23 21 21 21 21 28 28 28 28 28 28 28 28 24 48 24 48 24 48 8 22 8 22 8 22 13 28 42 43 44 14 28 45 46 47 16 16 2 22 2 22 10 21 10 21 17 20 8 21 1 15 5 12 5 12 5 11 5 11 13 14 13 14 12 14 6 28 12 13 7 28 1 10 1 10 19 31 32 19 31 32 21 35 21 35 23 33 34 23 33 34 23 33 34 20 36 20 36 37 38 39 37 38 39 37 38 39 18 36 18 36 27 41 27 41 26 41 26 41 169.5031 3.7447 -58.3153 135.9263 55.7219 -110.0365 -53.3102 125.9385 172.5981 -8.1532 55.6485 -125.1028 -1.2332 179.1406 60.9491 -61.5616 179.8814 0.6247 -179.6048 60.677 -61.2873 179.6722 -179.0277 -1.1656 -2.7443 177.8256 179.0439 -0.3861 -178.2271 1.7902 -0.026 179.9914 179.1794 -0.2696 0.4444 -179.5764 179.7178 -0.709 5.9459 -173.4521 171.6266 -7.7714 -172.8902 6.5342 2.7846 -177.791 -2.6235 176.8364 -178.2634 1.1965 178.6319 -0.7623 -179.3527 0.2603 -178.986 0.429 -179.83 0.4131 0.8853 -178.6567 -179.7658 0.6923 -115.5417 6.8056 122.8442 63.9224 -173.7302 -57.6917 0.9844 -179.1012 -178.4492 1.4652 64.7156 -58.6213 -173.5666 -56.955 179.7081 64.7628 -174.0372 62.6259 -52.3194 -0.9235 179.0464 179.0982 -0.932 -179.038 -58.7958 61.6015 -55.7217 64.5205 -175.0822 60.0205 -179.7373 -59.34 -0.3138 179.7176 179.7732 -0.1954 -179.9204 -0.6447 0.4667 179.7423 179.415 0.1387 -0.8249 179.8987 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 814 A 784 A 1255 814 3591.8696637085 48 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=131 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= 784 RedAO= T EigKep= 1.04D-06 NBF= 784 NBsUse= 782 1.00D-06 EigRej= 9.91D-07 NBFU= 782 Berny optimization. local minimum Step number 17 out of a maximum of 250 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00218 0.00412 0.00438 0.00543 0.01256 0.01389 0.01436 0.01487 0.01632 0.01793 0.01924 0.01991 0.02087 0.02163 0.02230 0.02238 0.02249 0.02283 0.02313 0.02404 0.02415 0.02472 0.02510 0.02582 0.02677 0.02738 0.02745 0.02841 0.03317 0.03544 0.03961 0.04576 0.04855 0.05077 0.05447 0.05545 0.05665 0.07192 0.08473 0.09224 0.09817 0.10221 0.10285 0.10770 0.10793 0.10910 0.12314 0.12365 0.13438 0.14063 0.14502 0.15140 0.15950 0.15960 0.15993 0.16000 0.16002 0.16006 0.16008 0.16025 0.16028 0.16145 0.16258 0.16741 0.19978 0.21956 0.22202 0.22584 0.23357 0.23490 0.23708 0.24277 0.24649 0.24802 0.24952 0.24996 0.24998 0.25023 0.25052 0.25145 0.25521 0.26141 0.26727 0.27929 0.28649 0.29474 0.30552 0.31577 0.32171 0.32930 0.34247 0.34416 0.34457 0.34606 0.34697 0.34756 0.34785 0.34819 0.34897 0.34939 0.35058 0.35177 0.35243 0.35838 0.35943 0.36013 0.36193 0.37212 0.38653 0.40275 0.42454 0.43034 0.43724 0.43937 0.44401 0.45545 0.46152 0.46847 0.46934 0.49532 0.50194 0.51293 0.54083 0.56624 0.57194 0.57829 0.58719 0.60410 0.61156 0.62297 0.63604 0.64010 0.65320 0.92702 0.96441 1.01959 1.04819 2.52271 -2.09089334e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 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 3.24055 2.75554 2.73168 3.19119 3.33077 2.28642 2.52287 2.73496 2.52757 2.72015 2.54546 2.60869 2.63427 2.48907 2.51822 2.53751 2.61387 1.94572 2.65767 2.62042 1.91016 2.51988 2.52708 2.52124 2.52446 2.64064 2.85072 2.69863 2.91285 2.06236 2.07116 2.65591 2.89087 2.07001 2.06815 2.58639 2.04508 2.04472 2.06490 2.06683 2.06130 2.62762 2.63939 2.03864 2.06117 2.06194 2.05478 2.06206 2.06240 2.05590 2.12436 1.78668 1.90930 1.93448 1.87620 1.80748 2.06286 2.06341 2.21310 2.20894 1.86050 2.01518 1.84286 2.17891 1.99603 2.01395 2.28913 1.97611 2.00929 2.04162 2.01753 2.13448 2.32212 1.82552 2.03270 2.14566 2.10480 1.98208 1.89032 1.89216 1.91670 1.90788 1.87135 1.94103 2.03999 2.30213 1.97507 1.91608 1.88356 1.91841 1.91492 1.85143 2.10111 2.07599 2.10608 2.05467 2.07805 2.15046 2.11057 2.21776 1.95484 1.93937 1.94842 1.93055 1.88116 1.88079 1.88089 2.19033 2.10536 1.98746 2.06650 2.01166 2.20483 2.07302 2.07694 2.13315 2.07990 2.04756 2.15567 2.01309 2.13712 2.13296 1.94637 1.92958 1.82884 1.90747 1.92835 1.92234 1.93322 1.93255 1.83093 1.90739 1.92935 1.92969 2.87518 0.20971 -1.11726 2.50046 0.89001 -1.77545 -0.92984 2.15398 3.01360 -0.18577 0.96513 -2.23424 -0.07219 3.08292 1.03735 -1.08864 3.12385 0.00355 3.13452 1.05650 -1.06248 3.13857 -3.13428 -0.03644 -0.08395 3.10126 3.09432 -0.00366 -3.10525 0.04454 -0.00021 -3.13362 3.13645 0.00276 0.00417 3.13594 3.13744 -0.00669 0.23877 -2.91255 2.89992 -0.25140 -2.91456 0.23623 0.07654 -3.05585 -0.06620 3.05564 -3.05503 0.06682 3.08619 -0.03324 -3.10435 0.02326 -3.10374 0.01630 3.14124 0.01097 0.05427 -3.08459 -3.13777 0.00655 -2.10841 0.02562 2.05068 1.02548 -3.12368 -1.09862 0.02042 -3.12604 -3.11295 0.02377 1.08315 -1.06720 -3.07769 -1.03620 3.09663 1.08614 -3.08472 1.04811 -0.96237 -0.01747 3.12222 3.13438 -0.00911 -3.14093 -1.04028 1.05402 -0.99186 1.10878 -3.08010 1.03763 3.13827 -1.05061 -0.01161 3.13197 3.13494 -0.00467 3.12796 -0.01898 0.00038 3.13662 3.13425 -0.00201 -0.01846 3.12846 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00003 -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 0.00001 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 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00001 -0.00001 -0.00004 -0.00001 0.00000 -0.00002 0.00004 -0.00001 0.00004 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 -0.00002 -0.00003 0.00001 0.00002 -0.00002 -0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00003 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00003 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00000 0.00003 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00002 -0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00002 -0.00001 0.00004 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00007 -0.00003 0.00008 -0.00003 0.00007 -0.00003 -0.00021 0.00028 -0.00024 0.00025 -0.00022 0.00027 -0.00012 -0.00009 0.00012 0.00009 0.00010 -0.00000 0.00004 -0.00002 -0.00003 -0.00002 -0.00006 0.00001 0.00034 -0.00003 0.00029 -0.00009 -0.00000 0.00001 0.00005 0.00007 -0.00000 -0.00002 0.00001 -0.00001 0.00003 -0.00007 -0.00009 -0.00007 0.00002 0.00005 0.00001 -0.00002 0.00000 -0.00003 -0.00001 -0.00003 0.00000 -0.00003 0.00001 0.00004 0.00001 -0.00002 0.00001 -0.00002 0.00002 -0.00002 -0.00044 -0.00033 -0.00001 0.00010 -0.00020 -0.00020 -0.00020 -0.00018 -0.00018 -0.00019 0.00001 0.00003 -0.00001 0.00001 -0.00012 -0.00013 -0.00012 -0.00013 -0.00014 -0.00013 -0.00011 -0.00012 -0.00011 -0.00002 0.00001 0.00000 0.00003 0.00001 -0.00000 0.00002 0.00002 0.00001 0.00003 0.00001 -0.00000 0.00002 0.00001 -0.00002 -0.00001 -0.00004 -0.00004 -0.00003 -0.00001 0.00000 -0.00001 -0.00002 0.00003 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00002 0.00000 0.00005 0.00002 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00004 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00002 -0.00002 -0.00001 -0.00002 0.00004 -0.00000 -0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00008 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00002 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00012 0.00008 -0.00011 0.00009 -0.00012 0.00008 -0.00004 -0.00004 -0.00001 -0.00001 -0.00001 -0.00001 0.00014 0.00012 -0.00009 -0.00008 -0.00008 0.00002 -0.00005 0.00001 0.00001 0.00001 0.00007 0.00003 0.00009 0.00009 0.00012 0.00012 -0.00003 -0.00005 -0.00006 -0.00008 -0.00001 0.00001 -0.00002 -0.00000 -0.00004 0.00011 0.00005 0.00001 -0.00013 -0.00017 0.00004 0.00008 0.00001 0.00005 0.00003 0.00007 0.00006 0.00011 0.00003 -0.00002 -0.00002 -0.00000 -0.00003 0.00002 -0.00006 0.00001 0.00001 -0.00014 0.00001 -0.00014 -0.00008 -0.00008 -0.00009 -0.00009 -0.00009 -0.00010 -0.00003 -0.00005 -0.00001 -0.00003 0.00002 0.00003 0.00003 0.00002 0.00003 0.00004 0.00002 0.00003 0.00004 0.00002 0.00001 -0.00000 -0.00001 0.00013 0.00013 0.00013 0.00013 0.00012 0.00012 0.00012 0.00012 0.00012 0.00001 0.00002 0.00003 0.00004 0.00005 0.00002 0.00003 0.00001 0.00004 0.00006 -0.00003 -0.00001 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 0.00001 -0.00004 0.00004 -0.00003 0.00002 -0.00002 -0.00001 -0.00001 -0.00002 0.00001 -0.00002 0.00002 0.00002 0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00006 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00001 -0.00002 -0.00000 -0.00002 0.00000 0.00002 0.00001 0.00000 0.00000 0.00004 -0.00008 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 0.00004 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00001 -0.00005 0.00005 -0.00004 0.00006 -0.00005 0.00005 -0.00026 0.00024 -0.00026 0.00024 -0.00023 0.00026 0.00002 0.00003 0.00003 0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00002 -0.00001 0.00001 0.00004 0.00043 0.00005 0.00041 0.00003 -0.00003 -0.00004 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00004 -0.00004 -0.00005 -0.00011 -0.00013 0.00005 0.00007 0.00001 0.00003 0.00002 0.00004 0.00006 0.00008 0.00004 0.00002 -0.00001 -0.00003 -0.00002 0.00000 -0.00004 -0.00001 -0.00043 -0.00048 0.00000 -0.00004 -0.00028 -0.00027 -0.00029 -0.00028 -0.00027 -0.00029 -0.00002 -0.00002 -0.00002 -0.00002 -0.00010 -0.00011 -0.00009 -0.00010 -0.00011 -0.00009 -0.00009 -0.00009 -0.00008 0.00001 0.00002 0.00000 0.00002 0.00014 0.00012 0.00015 0.00015 0.00013 0.00015 0.00013 0.00012 0.00014 0.00002 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00002 0.00001 0.00003 0.00004 -0.00000 0.00001 3.24052 2.75552 2.73165 3.19116 3.33075 2.28643 2.52283 2.73500 2.52754 2.72017 2.54544 2.60867 2.63426 2.48906 2.51824 2.53749 2.61389 1.94574 2.65769 2.62041 1.91016 2.51988 2.52708 2.52123 2.52444 2.64070 2.85072 2.69865 2.91284 2.06237 2.07116 2.65590 2.89086 2.07001 2.06816 2.58640 2.04508 2.04471 2.06491 2.06683 2.06129 2.62763 2.63941 2.03864 2.06117 2.06193 2.05478 2.06206 2.06240 2.05590 2.12437 1.78670 1.90929 1.93446 1.87619 1.80748 2.06284 2.06340 2.21308 2.20895 1.86052 2.01519 1.84286 2.17891 1.99607 2.01388 2.28912 1.97610 2.00930 2.04163 2.01754 2.13450 2.32214 1.82550 2.03269 2.14566 2.10481 1.98211 1.89031 1.89216 1.91670 1.90788 1.87134 1.94103 2.04000 2.30212 1.97508 1.91609 1.88356 1.91840 1.91492 1.85142 2.10110 2.07600 2.10607 2.05467 2.07805 2.15046 2.11059 2.21775 1.95484 1.93936 1.94844 1.93057 1.88114 1.88078 1.88088 2.19035 2.10534 1.98746 2.06650 2.01167 2.20483 2.07302 2.07695 2.13314 2.07990 2.04757 2.15566 2.01310 2.13712 2.13296 1.94635 1.92955 1.82882 1.90751 1.92835 1.92235 1.93320 1.93254 1.83092 1.90741 1.92935 1.92970 2.87513 0.20976 -1.11730 2.50052 0.88997 -1.77540 -0.93010 2.15422 3.01334 -0.18553 0.96489 -2.23397 -0.07217 3.08295 1.03738 -1.08863 3.12387 0.00357 3.13451 1.05649 -1.06250 3.13856 -3.13426 -0.03641 -0.08352 3.10131 3.09472 -0.00363 -3.10528 0.04450 -0.00023 -3.13363 3.13645 0.00276 0.00415 3.13594 3.13744 -0.00665 0.23873 -2.91261 2.89981 -0.25153 -2.91451 0.23630 0.07655 -3.05582 -0.06619 3.05568 -3.05497 0.06690 3.08623 -0.03322 -3.10437 0.02324 -3.10376 0.01630 3.14120 0.01096 0.05384 -3.08507 -3.13777 0.00650 -2.10869 0.02535 2.05039 1.02520 -3.12395 -1.09891 0.02040 -3.12606 -3.11297 0.02375 1.08305 -1.06731 -3.07778 -1.03631 3.09652 1.08605 -3.08481 1.04802 -0.96245 -0.01746 3.12224 3.13438 -0.00910 -3.14079 -1.04016 1.05417 -0.99172 1.10892 -3.07994 1.03776 3.13839 -1.05047 -0.01159 3.13197 3.13496 -0.00467 3.12797 -0.01898 0.00040 3.13663 3.13428 -0.00196 -0.01847 3.12847 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000004 0.001392 0.000216 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.045453e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 2 2 2 2 5 6 6 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 14 14 15 16 16 17 17 17 18 19 19 19 20 20 21 23 23 23 26 27 28 29 29 29 30 30 30 22 3 4 11 15 24 26 29 27 30 9 15 18 16 18 22 24 48 24 25 40 25 26 25 27 22 17 20 19 31 32 21 23 33 34 21 35 36 37 38 39 28 28 41 42 43 44 45 46 47 1.7148 1.4582 1.4455 1.6887 1.7626 1.2099 1.335 1.4473 1.3375 1.4394 1.347 1.3805 1.394 1.3172 1.3326 1.3428 1.3832 1.0296 1.4064 1.3867 1.0108 1.3335 1.3373 1.3342 1.3359 1.3974 1.5085 1.4281 1.5414 1.0914 1.096 1.4054 1.5298 1.0954 1.0944 1.3687 1.0822 1.082 1.0927 1.0937 1.0908 1.3905 1.3967 1.0788 1.0907 1.0911 1.0873 1.0912 1.0914 1.0879 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 3 3 3 4 4 11 26 27 9 9 15 8 18 2 2 24 24 24 25 25 25 2 2 8 9 9 17 16 16 16 19 19 31 8 8 10 17 17 17 23 23 33 16 16 21 18 18 20 1 1 10 19 19 19 37 37 38 5 5 11 12 12 13 6 6 13 7 7 14 26 26 27 6 6 6 42 42 43 7 7 7 45 45 46 2 2 2 2 2 2 6 7 8 8 8 9 10 11 11 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 4 11 15 11 15 15 29 30 15 18 18 16 22 24 48 48 25 40 40 26 27 8 22 22 17 20 20 19 31 32 31 32 32 10 21 21 23 33 34 33 34 34 21 35 35 20 36 36 10 15 15 37 38 39 38 39 39 11 12 12 13 14 14 13 28 28 14 28 28 27 41 41 42 43 44 43 44 44 45 46 47 46 47 47 121.7169 102.369 109.3948 110.8374 107.4983 103.5609 118.193 118.2245 126.8011 126.5632 106.599 115.4615 105.5879 124.8423 114.3639 115.3911 131.1575 113.2226 115.124 116.9763 115.5958 122.2966 133.0478 104.5946 116.4649 122.9373 120.5962 113.5649 108.3073 108.4128 109.819 109.3137 107.2202 111.2128 116.883 131.902 113.163 109.7835 107.9199 109.9166 109.7167 106.079 120.3846 118.9452 120.6696 117.7241 119.0633 123.2125 120.927 127.0686 112.0042 111.1178 111.6365 110.6125 107.7824 107.7616 107.7669 125.4967 120.6281 113.8728 118.4017 115.2598 126.3275 118.7751 118.9997 122.2204 119.1693 117.3168 123.5108 115.3417 122.4479 122.2096 111.5189 110.5568 104.7847 109.2898 110.4862 110.1418 110.7651 110.7269 104.9048 109.2856 110.5434 110.5633 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 3 3 4 4 15 15 3 3 4 4 11 11 29 29 26 26 26 30 30 27 27 27 15 18 9 9 18 18 9 9 15 15 8 8 22 22 18 18 2 2 48 48 25 25 40 40 24 24 40 40 26 26 25 25 27 27 25 25 2 2 8 8 9 9 9 20 20 20 9 9 17 17 16 16 16 31 31 31 32 32 32 8 8 10 10 17 17 17 33 33 33 34 34 34 16 16 35 35 6 6 13 13 7 7 14 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 26 26 26 26 27 27 27 11 11 11 11 11 11 15 15 15 15 15 15 26 26 29 29 29 27 27 30 30 30 9 9 15 15 15 15 18 18 18 18 16 16 18 18 22 22 24 24 24 24 24 24 24 24 25 25 25 25 25 25 26 26 25 25 27 27 22 22 22 22 17 17 17 17 17 17 20 20 20 20 19 19 19 19 19 19 19 19 19 21 21 21 21 23 23 23 23 23 23 23 23 23 21 21 21 21 28 28 28 28 28 28 28 24 48 24 48 24 48 8 22 8 22 8 22 13 28 42 43 44 14 28 45 46 47 16 16 2 22 2 22 10 21 10 21 17 20 8 21 1 15 5 12 5 12 5 11 5 11 13 14 13 14 12 14 6 28 12 13 7 28 1 10 1 10 19 31 32 19 31 32 21 35 21 35 23 33 34 23 33 34 23 33 34 20 36 20 36 37 38 39 37 38 39 37 38 39 18 36 18 36 27 41 27 41 26 41 26 164.7355 12.0158 -64.0143 143.266 50.994 -101.7257 -53.276 123.4142 172.6663 -10.6436 55.2976 -128.0122 -4.1362 176.6384 59.4358 -62.3747 178.9836 0.2036 179.595 60.5332 -60.8759 179.8267 -179.5808 -2.0881 -4.8099 177.6889 177.2913 -0.2099 -177.9176 2.5518 -0.0123 -179.5429 179.7054 0.1584 0.2389 179.6764 179.7623 -0.3831 13.6804 -166.877 166.1532 -14.4042 -166.9922 13.5352 4.3853 -175.0873 -3.7932 175.0755 -175.0402 3.8285 176.8256 -1.9044 -177.8663 1.3329 -177.8309 0.9339 179.9799 0.6284 3.1095 -176.7341 -179.7812 0.3752 -120.8029 1.468 117.4952 58.7554 -178.9736 -62.9464 1.1699 -179.1091 -178.359 1.362 62.0599 -61.1462 -176.3386 -59.3701 177.4238 62.2314 -176.7415 60.0524 -55.14 -1.0011 178.8901 179.5867 -0.522 -179.9622 -59.6039 60.3909 -56.8297 63.5287 -176.4765 59.4516 179.8099 -60.1953 -0.6651 179.4485 179.6188 -0.2676 179.2191 -1.0872 0.0216 179.7153 179.5795 -0.1149 -1.0578 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0624815637 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.9856,-.2995,1.4572;-2.0437,-1.5778,-.1402;-1.8082,-1.888,-1.5314;-2.8521,-2.415,.6994;-1.0434,-.6453,2.5503;3.0166,-1.7355,-2.11;5.6474,-.3737,1.4699;-2.0567,1.1265,-.5563;-.9018,1.1275,-1.2083;-3.9086,1.8743,.426;-.5035,-1.4235,.4759;1.1383,-.7551,1.9753;2.0656,-1.2756,-.0899;3.3913,-.5722,1.7302;-2.6748,.0387,-.0044;-.4883,2.2869,-1.635;.8234,2.3225,-2.359;-2.8413,2.2179,-.2695;1.8936,3.1282,-1.6172;-1.2222,3.4894,-1.4278;-2.3966,3.4617,-.7435;-3.8093,.5569,.5984;2.2887,2.5184,-.2812;-.2203,-.929,1.7211;2.2374,-.8804,1.1617;3.1495,-1.3576,-.8527;4.4644,-.6649,.96;4.4139,-1.0525,-.3758;1.7187,-2.066,-2.5913;5.7198,.0153,2.833;1.1676,1.2982,-2.5116;.6655,2.7557,-3.3509;1.5491,4.1556,-1.4698;2.773,3.2004,-2.2607;-.832,4.4185,-1.8198;-2.9907,4.344,-.5542;3.038,3.1292,.2212;1.4373,2.4228,.3941;2.7156,1.5252,-.4194;1.338,-.424,2.9072;5.2975,-1.1218,-.9913;1.0279,-1.2236,-2.5284;1.2884,-2.9115,-2.0533;1.8546,-2.3403,-3.6335;5.3552,-.7686,3.4972;5.1513,.9257,3.0248;6.7729,.1966,3.0299;.2722,-1.5037,-.1892; 0.000000 3.583335 0.000000 4.642285 1.444708 0.000000 3.098635 1.434969 2.518673 0.000000 4.105516 3.018056 4.334647 3.135092 0.000000 8.878180 5.432489 4.861761 6.541838 6.276177 0.000000 10.633252 7.949555 8.178434 8.775041 6.782899 4.646661 0.000000 3.829619 2.736169 3.178009 3.840762 3.717111 6.028546 8.106129 0.000000 5.081187 3.124684 3.165330 4.471249 4.158091 4.935964 7.233143 1.326230 0.000000 2.636036 3.964249 4.732626 4.425935 4.366954 8.210960 9.872183 2.225651 3.502745 0.000000 4.723902 1.666001 2.438670 2.559070 2.280374 4.378969 6.318522 3.159098 3.082584 4.740458 0.000000 6.162674 3.908648 4.718305 4.506273 2.258906 4.602043 4.553289 4.489739 4.223936 5.897929 2.321773 0.000000 7.284580 4.120697 4.178404 5.109252 4.127164 2.279657 4.009466 4.793799 3.978790 6.773340 2.634800 2.322863 0.000000 8.385756 5.835143 6.277268 6.590756 4.510467 4.030022 2.279729 6.147688 5.473034 7.808590 4.179413 2.273609 2.359047 0.000000 2.755062 1.740693 2.606744 2.558828 3.107379 6.322476 8.461847 1.367416 2.403810 2.253131 2.661425 4.369160 4.919954 6.338735 0.000000 6.039624 4.426101 4.379872 5.757180 5.140315 5.356310 7.373349 2.229390 1.302842 4.014506 4.268841 4.993428 4.647690 5.877936 3.534705 0.000000 7.428487 5.325024 5.033721 6.731003 6.032744 4.619454 6.723207 3.602094 2.393407 5.508954 4.881513 5.325151 4.431459 5.629824 4.795519 1.498657 0.000000 3.730581 3.880814 4.417971 4.733193 4.402491 7.302859 9.044325 1.374438 2.414928 1.319465 4.390950 5.451208 6.026106 7.115357 2.201573 2.721351 4.219785 0.000000 8.277904 6.311130 6.234797 7.656011 6.342954 5.015934 5.990412 4.553780 3.461789 6.277873 5.553764 5.343834 4.664256 5.209696 5.745939 2.526101 1.531273 5.006331 0.000000 6.069757 5.292421 5.410249 6.484084 5.740480 6.762601 8.397162 2.653165 2.393631 3.641651 5.317579 5.930383 5.941765 6.910416 4.005391 1.423899 2.532478 2.362098 3.142369 0.000000 5.068793 5.087747 5.439311 6.068348 5.435791 7.627613 9.182340 2.367216 2.810470 2.484700 5.379135 6.137525 6.540607 7.476009 3.512863 2.411687 3.778328 1.403316 4.390881 1.359446 0.000000 1.689544 2.867004 3.810227 3.123866 3.592417 7.693079 9.542274 2.174718 3.470347 1.332346 3.855513 5.300618 6.192403 7.375933 1.385242 4.360084 5.772821 2.109397 6.636511 4.404341 3.497781 0.000000 7.992335 5.963942 6.145238 7.192162 5.397134 4.687251 4.765692 4.571151 3.601837 6.270635 4.889542 4.138956 3.805338 3.848770 5.555311 3.098043 2.550095 5.138741 1.520828 3.818900 4.801578 6.465810 0.000000 4.813945 2.685158 3.744280 3.190347 1.202328 5.079862 5.899240 3.575451 3.643450 4.810319 1.369381 1.393098 2.936808 3.629163 3.152533 4.655885 5.320570 4.553602 5.663316 5.517390 5.485311 4.043440 4.710460 0.000000 7.252283 4.528666 4.963320 5.335807 3.570249 3.470256 3.461234 5.041640 4.416207 6.775109 2.877081 1.373107 1.323715 1.322787 5.131666 5.028211 4.965231 6.118877 4.889739 6.145704 6.630019 6.240617 3.692778 2.520945 0.000000 8.522588 5.246470 5.031943 6.288528 5.446824 1.319573 3.549963 5.776053 4.766019 7.867413 3.887646 3.522117 1.327950 2.710512 6.049107 5.208456 4.606799 7.000971 4.720598 6.552554 7.348203 7.361767 4.011368 4.261841 2.262219 0.000000 9.470151 6.663324 6.859225 7.527423 5.732865 3.559125 1.320677 6.930609 6.058913 8.765835 5.048796 3.478785 2.688822 1.324201 7.238368 6.322706 5.761716 7.949568 5.257242 7.436242 8.185598 8.371285 4.050642 4.753484 2.246573 2.344113 0.000000 9.606119 6.483254 6.383438 7.470413 6.205643 2.329501 2.321380 6.830025 5.805344 8.858472 5.004409 4.042953 2.376182 2.389921 7.181831 6.063726 5.311803 7.958924 5.036965 7.314458 8.178966 8.435668 4.156519 5.088012 2.670397 1.385418 1.391788 0.000000 8.028544 4.516823 3.686967 5.642849 6.006900 1.423200 5.898484 5.346622 4.356360 7.503024 3.841654 4.786314 2.646130 4.868726 5.515832 4.973256 4.484871 6.673499 5.287626 6.392573 7.134738 6.900129 5.165102 4.862976 3.969845 2.360440 4.702545 3.633191 0.000000 10.798004 8.464606 8.907344 9.161616 6.801254 5.899632 1.419330 8.555442 7.836706 10.097262 6.808477 4.724276 4.854155 2.642559 8.861174 7.978915 7.500309 9.368491 6.643343 8.855224 9.515475 9.802572 5.266488 6.116570 3.965192 4.698472 2.355128 3.625133 7.054314 0.000000 7.494332 4.920107 4.468545 6.344729 5.855606 3.575429 6.222287 3.774708 2.451517 5.893064 4.373188 4.934494 3.646277 5.141610 4.757727 2.118451 1.091248 4.684372 2.162369 3.418619 4.528752 5.915289 2.778589 4.980151 4.402742 3.705837 5.174456 4.541601 3.409981 7.136736 0.000000 8.024124 6.035555 5.567187 7.450771 7.022216 5.219057 7.606175 4.227816 3.114200 5.996979 5.785853 6.396747 5.370821 6.657549 5.453296 2.120225 1.093858 4.699082 2.157071 2.792883 4.083265 6.360459 3.480625 6.331409 6.004694 5.415777 6.687054 6.115917 4.993482 8.443749 1.755232 0.000000 8.433132 6.895567 6.913824 8.200542 6.777267 6.104832 6.778878 4.797088 3.904468 6.211666 6.254999 6.012740 5.627506 5.998817 6.077631 2.769511 2.162849 4.946776 1.093631 2.850589 4.071539 6.777986 2.154142 6.258265 5.723676 5.773886 6.135174 6.043856 6.324174 7.283594 3.065253 2.505892 0.000000 9.288007 7.108340 6.885561 8.481494 7.245665 4.944221 5.912215 5.525551 4.348370 7.322549 6.293174 6.021778 5.024643 5.526469 6.690675 3.444071 2.140403 6.037339 1.092075 4.091298 5.393899 7.647802 2.148983 6.470383 5.352842 4.785351 5.307937 4.932784 5.381068 6.691332 2.501731 2.414149 1.742351 0.000000 7.088801 6.343960 6.388174 7.558060 6.692156 7.264152 8.704610 3.732827 3.348092 4.580639 6.285435 6.712053 6.618992 7.439454 5.086677 2.167003 2.724785 3.359047 3.022343 1.081312 2.126480 5.442850 3.964373 6.442671 6.810954 7.081727 7.849850 7.715967 7.010706 9.163083 3.770020 2.711420 2.420971 3.830630 0.000000 5.439416 6.011336 6.418043 6.875658 6.190546 8.687268 10.048408 3.350337 3.890659 2.811172 6.364781 7.031940 7.573697 8.373568 4.351693 3.414917 4.678816 2.150218 5.144338 2.149664 1.080429 4.042379 5.592765 6.376235 7.587571 8.384452 9.108262 9.164157 8.210716 10.299642 5.513558 4.869517 4.635041 6.118802 2.503496 0.000000 8.812613 6.936216 7.192373 8.103109 6.027437 5.394524 4.543033 5.529163 4.644614 7.062005 5.773586 4.666265 4.521599 4.012783 6.499108 4.073033 3.494718 5.969682 2.165514 4.582407 5.529554 7.324291 1.089499 5.416225 4.195609 4.614928 4.120185 4.442544 6.053209 4.869286 3.784103 4.304520 2.475837 2.497005 4.561206 6.198549 0.000000 7.056530 5.329883 5.729175 6.472707 4.496270 5.104481 5.167472 3.845986 3.117140 5.374042 4.308924 3.562126 3.782407 3.817455 4.769886 2.800592 2.822485 4.334564 2.179659 3.395579 4.131845 5.572285 1.090823 3.967735 3.484312 4.333256 4.360887 4.640045 5.398179 5.484870 3.127318 3.838185 2.547405 3.071856 3.746173 4.919088 1.758193 0.000000 8.133855 5.688396 5.775061 6.912000 5.259299 3.685222 3.971230 4.790900 3.723730 6.687038 4.456306 3.663621 2.894008 3.078332 5.606995 3.510409 2.824617 5.601904 2.163372 4.514610 5.476284 6.674445 1.089905 4.384521 2.918141 2.947270 3.123676 3.087117 4.313650 4.677878 2.612535 3.783046 3.063242 2.489993 4.787278 6.365997 1.757084 1.761086 0.000000 6.488937 4.696178 5.634116 5.137669 2.418196 5.450694 4.542995 5.091559 4.935691 6.242226 3.209613 1.008945 3.199550 2.371299 4.979402 5.596065 5.961621 5.876891 5.778976 6.376648 6.509494 5.726077 4.441503 2.022457 2.015879 4.276665 3.691075 4.542471 5.751028 4.404331 5.688425 7.051734 6.338407 6.473180 7.106562 7.311117 4.767584 3.798638 4.094267 0.000000 10.602532 7.404481 7.167310 8.422991 7.278529 2.613613 2.596028 7.702502 6.598328 9.784543 5.991299 5.121896 3.358823 3.367827 8.116584 6.746064 5.809604 8.826922 5.480951 7.997539 8.959276 9.395715 4.775797 6.151437 3.749445 2.165407 2.170286 1.079065 4.032374 4.011978 5.022391 6.485280 6.490808 5.163911 8.303737 9.937818 4.964532 5.420707 3.741600 5.600220 0.000000 7.273316 3.906924 3.078807 5.185779 5.515217 2.095694 6.168329 4.350500 3.315737 6.534072 3.377991 4.529336 2.650591 4.913807 4.655559 3.926952 3.555981 5.649534 4.529629 5.337300 6.071622 6.028727 4.543346 4.438768 3.898387 2.706812 4.928544 4.015957 1.091203 7.231363 2.525715 4.079522 5.507110 4.763250 5.982876 7.144568 5.527013 4.690856 3.853817 5.502830 4.539023 0.000000 7.649136 4.067172 3.302865 4.996732 5.636129 2.091146 6.152587 5.453097 4.671701 7.487284 3.438326 4.571899 2.671198 4.920337 5.348755 5.509612 5.263496 6.822577 6.085603 6.904092 7.477455 6.711776 5.798722 4.522434 3.919478 2.705493 4.920828 4.004876 1.090619 7.216591 4.236334 5.847147 7.096001 6.293065 7.634153 8.555745 6.687712 5.870809 4.938721 5.549502 4.517119 1.772766 0.000000 8.767476 5.289787 4.247320 6.397846 7.036383 2.009229 6.655638 6.065170 5.050275 8.213201 4.825809 5.872359 3.706116 5.852958 6.272646 5.558317 4.942592 7.358359 5.828505 6.951097 7.751625 7.640856 5.918925 5.913413 5.027126 3.221050 5.542414 4.338345 1.086266 7.893271 3.869058 5.240517 6.853632 5.781656 7.495951 8.811325 6.795237 6.251580 5.100378 6.835202 4.507769 1.775328 1.773112 0.000000 10.550490 8.284236 8.823449 8.825931 6.469432 6.151763 2.085887 8.657802 8.055169 10.111072 6.624290 4.483066 4.893412 2.649058 8.797341 8.355893 8.024117 9.502033 7.302325 9.254597 9.796329 9.702964 5.872246 5.853710 3.897121 4.912574 2.690980 3.995781 7.209477 1.090193 7.610037 9.017224 7.962693 7.454740 9.667294 10.592680 5.594111 5.929879 5.250498 4.074818 4.502655 7.432313 7.206835 8.097561 0.000000 10.330274 8.249383 8.781215 8.978926 6.408381 6.164792 2.086169 8.051050 7.389124 9.472838 6.632643 4.475508 4.905937 2.648958 8.438614 7.441174 7.047485 8.740889 6.083720 8.186555 8.809185 9.290626 4.654090 5.830366 3.901782 4.924975 2.695348 4.002558 7.230002 1.090288 6.830821 8.007588 6.603749 6.226298 8.453944 9.528142 4.145083 4.791199 4.260756 4.046749 4.510185 7.242853 7.445314 8.115857 1.770631 0.000000 11.873613 9.535801 9.939169 10.241711 7.876178 6.652970 2.006418 9.575398 8.816489 11.121600 7.880007 5.810915 5.836084 3.703491 9.924314 8.880106 8.304057 10.363645 7.348350 9.728130 10.439344 10.863994 6.038441 7.203142 5.022124 5.533521 3.218066 4.327123 7.890690 1.086646 7.958785 9.195973 7.950469 7.281013 9.958872 11.197104 5.517166 6.353946 5.488596 5.471593 4.481600 8.118925 8.098132 8.661810 1.777613 1.778018 0.000000 5.639609 2.317646 2.505473 3.373611 3.157888 3.357817 5.737757 3.532194 3.056137 5.410000 1.024938 2.448564 1.810521 3.778929 3.331397 4.127662 4.432988 4.852910 5.110982 5.357092 5.664323 4.639510 4.500186 2.054713 2.464772 2.956380 4.427056 4.170378 2.859798 6.412224 3.747766 5.319163 5.941228 5.716048 6.241050 6.706350 5.411283 4.136969 3.898346 3.448082 5.103230 2.474153 2.547476 3.881666 6.321851 6.327431 7.450695 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9477,-1.512,-.952;1.9373,-1.5524,.9914;1.713,-1.1364,2.3566;2.6266,-2.7694,.6707;.9594,-1.9098,-1.8414;-3.0487,-.2094,2.679;-5.629,-.4397,-1.1785;2.2489,1.0053,.0707;1.1211,1.4404,.6162;4.1386,.9921,-1.1051;.404,-1.5449,.34;-1.2031,-1.4977,-1.3351;-2.1166,-.8706,.7065;-3.4155,-.9792,-1.2597;2.7314,-.2733,.1176;.8457,2.7001,.4299;-.4321,3.2164,1.0187;3.1353,1.7376,-.6823;-1.4333,3.6822,-.0422;1.696,3.5726,-.3072;2.8394,3.0968,-.8679;3.8953,-.2294,-.6321;-1.9313,2.5571,-.936;.1367,-1.6747,-.9968;-2.2838,-1.1022,-.586;-3.1792,-.463,1.3906;-4.4684,-.5786,-.5637;-4.4183,-.2873,.7963;-1.7788,-.4087,3.29;-5.7015,-.7403,-2.5637;-.8778,2.4316,1.6321;-.199,4.0493,1.6883;-.9868,4.4722,-.6526;-2.28,4.1458,.4684;1.4183,4.6122,-.4139;3.5174,3.7133,-1.4403;-2.6269,2.9321,-1.686;-1.1159,2.061,-1.4641;-2.4564,1.8014,-.3519;-1.395,-1.6302,-2.3167;-5.2851,.0398,1.3496;-1.0052,.2227,2.8501;-1.4571,-1.449,3.2295;-1.9111,-.1381,4.3337;-5.4422,-1.7797,-2.7661;-5.046,-.0977,-3.1522;-6.7351,-.5624,-2.848;-.3552,-1.2153,.9446; 0.2225870 0.0999238 0.0888161 -101.55941 -89.08857 -19.19038 -19.18967 -19.12834 -19.12802 -19.11353 -14.45272 -14.38438 -14.37856 -14.36255 -14.33810 -14.33228 -14.32755 -10.33298 -10.31611 -10.30470 -10.30254 -10.28020 -10.27147 -10.25334 -10.24698 -10.24050 -10.23809 -10.22975 -10.22007 -10.19973 -10.19343 -10.19333 -10.17579 -9.47484 -8.14890 -7.23977 -7.22970 -7.22866 -6.11215 -6.11086 -6.11047 -1.15114 -1.12788 -1.12284 -1.12052 -1.09225 -1.03998 -1.03302 -1.01117 -0.96398 -0.94111 -0.92097 -0.90569 -0.88551 -0.84042 -0.82768 -0.82315 -0.78478 -0.76769 -0.74167 -0.72762 -0.71984 -0.70492 -0.68563 -0.68047 -0.65334 -0.63879 -0.62843 -0.60573 -0.60105 -0.59433 -0.58218 -0.55940 -0.54774 -0.54084 -0.53480 -0.52877 -0.52099 -0.51911 -0.51217 -0.50325 -0.49969 -0.49733 -0.48305 -0.47934 -0.47261 -0.46656 -0.46296 -0.46114 -0.45127 -0.44684 -0.44366 -0.44020 -0.43125 -0.41762 -0.41182 -0.39241 -0.38902 -0.38428 -0.37987 -0.37919 -0.37384 -0.36982 -0.36745 -0.36281 -0.35863 -0.35266 -0.34552 -0.34194 -0.33797 -0.32524 -0.31623 -0.31305 -0.30876 -0.30637 -0.30291 -0.30117 -0.29760 -0.27654 -0.25950 -0.25492 -0.08484 -0.05207 -0.04512 -0.03428 -0.01756 -0.00899 -0.00397 0.00434 0.00602 0.01192 0.01442 0.01716 0.01930 0.02358 0.02720 0.02844 0.03470 0.03668 0.03716 0.04368 0.04580 0.05104 0.05393 0.05487 0.06121 0.06362 0.06803 0.06879 0.07042 0.07350 0.07551 0.07941 0.08064 0.08372 0.08979 0.09092 0.09630 0.09850 0.10062 0.10167 0.10471 0.10551 0.10816 0.11157 0.11479 0.11745 0.11831 0.12230 0.12441 0.12624 0.12781 0.13120 0.13454 0.13665 0.14121 0.14242 0.14391 0.14637 0.14838 0.15002 0.15126 0.15510 0.15607 0.16097 0.16364 0.16614 0.16812 0.17099 0.17259 0.17405 0.17713 0.17892 0.18280 0.18413 0.18891 0.19131 0.19328 0.19594 0.19975 0.20068 0.20279 0.20481 0.20618 0.20814 0.20923 0.21292 0.21521 0.21765 0.21933 0.22407 0.22679 0.22859 0.23236 0.23363 0.23531 0.23892 0.23957 0.24046 0.24544 0.24752 0.24885 0.25065 0.25523 0.25887 0.26131 0.26223 0.26534 0.26947 0.27035 0.27382 0.27448 0.28024 0.28446 0.28519 0.28792 0.29037 0.29290 0.29922 0.30284 0.30482 0.30612 0.30697 0.30978 0.31354 0.31503 0.31684 0.32020 0.32101 0.32450 0.32768 0.32989 0.33434 0.33722 0.33991 0.34472 0.34559 0.34730 0.34982 0.35241 0.35957 0.36296 0.36559 0.36988 0.37245 0.37399 0.37797 0.38176 0.38425 0.38791 0.39055 0.39405 0.39631 0.39820 0.40134 0.40473 0.40845 0.41327 0.41672 0.42459 0.42793 0.43043 0.43377 0.43743 0.44310 0.44832 0.44934 0.45692 0.46413 0.46710 0.47046 0.47444 0.47942 0.48340 0.48926 0.49671 0.50297 0.50357 0.50801 0.51289 0.51497 0.51931 0.52239 0.52659 0.53159 0.53610 0.54230 0.54899 0.55634 0.55708 0.56249 0.57172 0.57443 0.57904 0.58561 0.58844 0.59684 0.59875 0.60916 0.61237 0.62106 0.62233 0.63315 0.63405 0.64017 0.64198 0.64565 0.65172 0.65384 0.65946 0.66805 0.67259 0.67605 0.68638 0.68768 0.69200 0.69945 0.70617 0.71016 0.71468 0.71853 0.72896 0.73049 0.73814 0.73913 0.74248 0.74719 0.74967 0.75540 0.75874 0.76231 0.76428 0.76694 0.77094 0.77307 0.78404 0.78672 0.79433 0.80014 0.81690 0.82389 0.82689 0.83792 0.84992 0.85191 0.85620 0.86575 0.87169 0.87368 0.87805 0.88568 0.88801 0.89499 0.90203 0.90411 0.91134 0.91785 0.92083 0.92914 0.93215 0.93526 0.94270 0.94809 0.95523 0.95590 0.95841 0.96768 0.96985 0.98181 0.98582 0.98767 0.99602 0.99624 1.00482 1.01118 1.01434 1.01697 1.02029 1.02713 1.03394 1.03760 1.03961 1.04226 1.05232 1.05994 1.06189 1.06631 1.07664 1.07869 1.08950 1.09423 1.09903 1.10326 1.11346 1.12529 1.13443 1.14192 1.14677 1.15477 1.15961 1.16439 1.17346 1.18332 1.19148 1.19693 1.20183 1.20466 1.21436 1.21686 1.22053 1.23052 1.23244 1.24251 1.25019 1.25729 1.26370 1.27848 1.28042 1.28571 1.29108 1.29460 1.29735 1.31217 1.31628 1.32083 1.33154 1.33507 1.33932 1.34507 1.35190 1.35995 1.36760 1.37223 1.38062 1.39149 1.40992 1.42279 1.43224 1.43974 1.44394 1.46477 1.46817 1.48000 1.50187 1.50512 1.51431 1.51959 1.52726 1.53379 1.54016 1.54279 1.55325 1.55943 1.56883 1.57319 1.57970 1.58297 1.59179 1.59368 1.60538 1.61531 1.61931 1.62393 1.62752 1.63839 1.64245 1.64537 1.65794 1.66175 1.66822 1.67102 1.67699 1.68444 1.68538 1.69218 1.69716 1.70112 1.71376 1.71945 1.72260 1.72700 1.73037 1.73954 1.75128 1.75988 1.76444 1.76953 1.78014 1.78705 1.80015 1.80417 1.80962 1.81849 1.82194 1.82721 1.83946 1.84123 1.85577 1.87427 1.87977 1.90077 1.91395 1.91720 1.92555 1.93164 1.93498 1.94886 1.95813 1.96487 1.97627 1.98231 1.99025 1.99497 2.01779 2.01976 2.03134 2.04169 2.05306 2.07123 2.07655 2.08593 2.09375 2.09913 2.10625 2.11639 2.12519 2.13640 2.14115 2.14603 2.15490 2.16130 2.17791 2.17946 2.19135 2.20595 2.20927 2.21481 2.22811 2.23355 2.25075 2.26899 2.27257 2.28813 2.29959 2.31652 2.32610 2.34663 2.34841 2.35842 2.37060 2.37641 2.39315 2.40791 2.42493 2.42694 2.42988 2.43203 2.45123 2.45848 2.46120 2.47848 2.48777 2.50282 2.50638 2.51678 2.52097 2.52677 2.53517 2.54418 2.55113 2.55931 2.57071 2.57933 2.59425 2.59919 2.60391 2.61129 2.62001 2.63220 2.65359 2.67186 2.67418 2.68264 2.68411 2.69719 2.70205 2.70940 2.71884 2.72346 2.72736 2.74138 2.74672 2.76023 2.76264 2.76804 2.77630 2.78377 2.79456 2.80579 2.81146 2.81554 2.82510 2.82794 2.83960 2.84176 2.84927 2.85651 2.85862 2.86022 2.87025 2.87365 2.88338 2.89766 2.90228 2.90302 2.91065 2.91861 2.92616 2.93949 2.94703 2.95525 2.95972 2.96289 2.98454 2.99022 2.99730 3.00228 3.01755 3.02896 3.04494 3.05638 3.05825 3.07002 3.07284 3.08138 3.09729 3.13034 3.14102 3.14908 3.16056 3.18264 3.22024 3.22189 3.23476 3.24299 3.24932 3.29737 3.31592 3.32854 3.37217 3.37711 3.38974 3.41102 3.42674 3.43263 3.44352 3.45120 3.49246 3.51941 3.52838 3.55787 3.58630 3.59817 3.61920 3.62216 3.64273 3.70816 3.71880 3.73768 3.76192 3.77422 3.79080 3.79614 3.81455 3.82096 3.82852 3.83943 3.86750 3.89318 3.89733 3.91641 3.95138 3.95815 3.96335 3.96619 3.98770 3.99381 3.99472 4.02732 4.06947 4.08588 4.08988 4.10912 4.18606 4.19629 4.26947 4.30260 4.33449 4.38177 4.40703 4.45484 4.51370 4.59963 4.68620 4.71394 4.76166 4.84409 4.98756 5.01035 5.03198 5.06371 5.10115 5.10851 5.12142 5.14599 5.20814 5.21769 5.25643 5.29176 5.34049 5.37762 5.38359 5.42487 5.57181 5.79495 5.85929 5.86168 8.26331 9.83895 17.38919 17.48315 17.62754 23.67244 23.75802 23.76725 23.85117 23.88928 23.91125 23.92362 23.93422 23.94305 23.95382 23.97939 23.98880 24.00345 24.01281 24.10800 24.16690 25.89034 26.20844 26.80423 35.49291 35.55912 35.61195 35.62793 35.70861 35.72766 35.75014 49.89738 49.94834 49.95303 49.97928 50.05543 189.38286 215.83822 1-A. -7.0689 6.6956 -0.7623 9.7663 -196.0410 -179.4922 -187.4516 15.9074 8.9784 0.5427 -8.3794 8.1694 0.2100 15.9074 8.9784 0.5427 -125.2938 68.6803 2.8520 -8.0868 -1.8057 -40.0558 -66.8007 -5.1768 -7.6707 -9.2964 -10581.2342 -3753.2043 -2163.5752 -18.2420 428.2199 128.1011 -18.8040 86.9662 23.6344 -2384.2700 -2023.3071 -1034.6676 73.1211 -38.5895 39.7070 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; 0.000000 3.635753 0.000000 4.686839 1.458170 0.000000 3.167925 1.445541 2.536164 0.000000 4.301039 3.089331 4.400076 3.247781 0.000000 8.793661 5.369446 4.723099 6.584102 6.294077 0.000000 10.741216 7.978196 8.135527 8.915499 6.841033 4.680773 0.000000 3.877461 2.759052 3.200071 3.881551 3.760172 5.679196 7.901403 0.000000 5.150674 3.157812 3.204754 4.518270 4.151888 4.493628 6.909891 1.346997 0.000000 2.666567 4.005434 4.761142 4.489353 4.502276 7.920906 9.770380 2.250178 3.546120 0.000000 4.824463 1.688704 2.456200 2.584179 2.306658 4.401122 6.369742 3.203571 3.106737 4.828440 0.000000 6.309922 3.944167 4.721725 4.609370 2.275000 4.635030 4.603318 4.429575 4.082843 5.943651 2.337883 0.000000 7.303280 4.093625 4.098142 5.174896 4.139752 2.299882 4.041892 4.563329 3.647050 6.636229 2.647276 2.336662 0.000000 8.507193 5.863130 6.250128 6.713740 4.545447 4.068023 2.305495 5.993579 5.207936 7.764894 4.213550 2.298220 2.380340 0.000000 2.789627 1.762566 2.634358 2.593914 3.182907 6.114844 8.392458 1.380457 2.438822 2.271956 2.711860 4.374961 4.799400 6.294546 0.000000 6.108770 4.472267 4.425265 5.817725 5.147953 4.827537 6.951974 2.252731 1.317161 4.050966 4.319034 4.856425 4.294945 5.561812 3.574040 0.000000 7.506133 5.372915 5.085640 6.790030 6.010885 4.000421 6.163941 3.631088 2.404495 5.555029 4.917535 5.141818 4.025763 5.216690 4.841138 1.508537 0.000000 3.775646 3.921905 4.448341 4.795191 4.493320 6.934633 8.841648 1.393995 2.448419 1.332586 4.468503 5.436708 5.818331 6.985761 2.224488 2.744870 4.253190 0.000000 8.415534 6.456970 6.376252 7.814635 6.420410 4.620543 5.501362 4.632521 3.527956 6.352726 5.720683 5.301775 4.454449 4.917314 5.857488 2.551641 1.541413 5.060619 0.000000 6.127320 5.334480 5.441382 6.544744 5.781353 6.236614 7.993146 2.672765 2.412405 3.667727 5.383115 5.836668 5.624425 6.633258 4.036556 1.428053 2.551077 2.374501 3.136454 0.000000 5.115593 5.127986 5.465524 6.129733 5.510995 7.168611 8.878924 2.385428 2.837585 2.500539 5.455174 6.093856 6.279339 7.279144 3.537409 2.426883 3.806111 1.405445 4.407665 1.368660 0.000000 1.714824 2.902022 3.837398 3.178901 3.734878 7.492946 9.519087 2.197825 3.515044 1.342791 3.935658 5.368182 6.109761 7.386094 1.397367 4.403421 5.824460 2.130857 6.741118 4.437442 3.521468 0.000000 8.140204 6.197557 6.401011 7.432691 5.495506 4.665643 4.476169 4.651287 3.685891 6.310353 5.167489 4.200932 3.847423 3.708045 5.694407 3.099922 2.563441 5.151878 1.529780 3.738978 4.741163 6.571657 0.000000 4.955342 2.726528 3.772081 3.275507 1.209920 5.103784 5.956611 3.570396 3.588401 4.889516 1.383198 1.406380 2.949641 3.664209 3.184505 4.620978 5.260545 4.593729 5.731209 5.513804 5.511796 4.130632 4.856701 0.000000 7.347822 4.542016 4.928892 5.436792 3.592861 3.498881 3.492478 4.886085 4.158653 6.725121 2.899912 1.386667 1.333464 1.334180 5.075799 4.747187 4.618235 5.994464 4.699481 5.906186 6.454267 6.236164 3.679456 2.543167 0.000000 8.502491 5.207809 4.925862 6.354757 5.464197 1.335044 3.573181 5.477986 4.357227 7.652603 3.907512 3.545306 1.337274 2.733209 5.887191 4.727667 4.023582 6.702836 4.333869 6.096621 6.967269 7.225328 3.951740 4.282589 2.276890 0.000000 9.544751 6.668987 6.798564 7.640075 5.767840 3.584749 1.337531 6.706547 5.717445 8.643343 5.080451 3.508420 2.704466 1.335884 7.145489 5.897514 5.210909 7.732605 4.813533 7.037603 7.879071 8.322149 3.825909 4.788956 2.259338 2.355143 0.000000 9.612989 6.459441 6.289124 7.557018 6.229698 2.348552 2.335464 6.539260 5.399665 8.653193 5.029671 4.069489 2.388422 2.407408 7.034711 5.558137 4.670513 7.660458 4.532210 6.825208 7.780736 8.316957 3.967203 5.115362 2.683701 1.390476 1.396706 0.000000 7.903653 4.420776 3.513749 5.630753 6.011564 1.447277 5.949069 5.029245 3.990900 7.223102 3.844137 4.811702 2.665998 4.912686 5.301357 4.573143 4.081595 6.344041 5.107501 5.980942 6.750216 6.685901 5.296224 4.872426 3.999442 2.388020 4.740417 3.668115 0.000000 10.969097 8.525164 8.901284 9.329665 6.873189 5.952482 1.439440 8.416111 7.579450 10.073026 6.872786 4.781931 4.899780 2.671326 8.844639 7.638416 7.031668 9.243388 6.234053 8.540152 9.299858 9.844605 4.980254 6.186056 4.005244 4.738316 2.383700 3.656199 7.120971 0.000000 7.556765 4.950236 4.538287 6.379212 5.747681 2.919901 5.590392 3.787151 2.442693 5.926394 4.346084 4.644159 3.147584 4.622420 4.787015 2.121562 1.091356 4.706695 2.169731 3.431987 4.548231 5.951974 2.806577 4.833359 3.949664 3.034150 4.536171 3.827930 3.035980 6.581430 0.000000 8.067931 6.015056 5.525973 7.445867 6.986045 4.441050 6.988276 4.229713 3.092880 6.033613 5.760463 6.189141 4.900562 6.215313 5.458288 2.126355 1.096008 4.728142 2.166724 2.845026 4.133662 6.383365 3.497285 6.239838 5.622711 4.738180 6.083391 5.385787 4.418556 7.938210 1.760827 0.000000 8.612386 7.068569 7.050914 8.396731 6.956176 5.688752 6.378903 4.910632 3.997367 6.327092 6.474646 6.075748 5.466021 5.817133 6.223887 2.815203 2.172288 5.038102 1.095401 2.867057 4.120531 6.922610 2.163749 6.413725 5.624606 5.421377 5.783485 5.595001 6.090297 6.984073 3.072364 2.498386 0.000000 9.404762 7.207734 6.982630 8.592450 7.265952 4.472741 5.279462 5.584619 4.386845 7.393907 6.395235 5.906317 4.747838 5.137310 6.773871 3.467964 2.147512 6.091487 1.094418 4.114618 5.431735 7.734320 2.160471 6.474440 5.084362 4.310588 4.741957 4.299051 5.166240 6.151864 2.489288 2.437915 1.749775 0.000000 7.145219 6.387081 6.418701 7.619611 6.729916 6.698312 8.235995 3.753362 3.366084 4.605052 6.352676 6.611365 6.288453 7.130439 5.118698 2.169432 2.742381 3.370224 2.976819 1.082212 2.134356 5.475446 3.828336 6.438102 6.554848 6.591174 7.401569 7.171965 6.585241 8.788925 3.787731 2.793414 2.370689 3.841028 0.000000 5.479884 6.051597 6.440577 6.938801 6.283065 8.222788 9.750384 3.369348 3.919398 2.821432 6.447314 7.009010 7.324664 8.193341 4.374574 3.430646 4.707818 2.150230 5.146878 2.160165 1.082017 4.061965 5.498744 6.418150 7.429149 8.007986 8.810561 8.767293 7.819738 10.095630 5.535666 4.933695 4.666497 6.153206 2.513485 0.000000 8.998351 7.203899 7.468379 8.386913 6.191799 5.456999 4.351735 5.634836 4.745419 7.129808 6.098193 4.828294 4.661783 4.003966 6.668501 4.091518 3.512290 6.007726 2.176861 4.519813 5.487749 7.463348 1.092700 5.633581 4.300503 4.663222 4.023117 4.374196 6.241185 4.664631 3.806830 4.325181 2.495072 2.507854 4.430427 6.116415 0.000000 7.233906 5.638120 6.047903 6.789279 4.698347 5.165932 5.069588 3.950747 3.236523 5.408100 4.697551 3.777327 3.948155 3.856170 4.952939 2.794006 2.834134 4.333946 2.184097 3.261942 4.020877 5.702158 1.093717 4.239849 3.630177 4.394516 4.320186 4.606665 5.575953 5.386036 3.170997 3.840698 2.545464 3.080633 3.540846 4.760162 1.766405 0.000000 8.212710 5.866609 6.016585 7.086632 5.205699 3.805544 3.589764 4.807407 3.748730 6.666559 4.646713 3.559052 2.923437 2.764263 5.679715 3.476636 2.823450 5.561328 2.169089 4.416794 5.382432 6.713055 1.090791 4.393000 2.775247 2.945376 2.793106 2.910141 4.577645 4.255513 2.626926 3.799936 3.071170 2.504055 4.660031 6.246016 1.763808 1.764689 0.000000 6.662566 4.738552 5.645842 5.251238 2.425125 5.488839 4.607192 5.041338 4.800609 6.307937 3.224284 1.010811 3.217961 2.403926 4.995797 5.456999 5.767260 5.874671 5.706725 6.284424 6.475184 5.812767 4.426145 2.029955 2.033424 4.305933 3.732486 4.578218 5.780569 4.475746 5.381533 6.847834 6.392401 6.327682 7.004145 7.301385 4.860401 3.931324 3.881011 0.000000 10.581062 7.370582 7.058826 8.503964 7.299801 2.629216 2.600180 7.377781 6.164324 9.532330 6.015522 5.148031 3.370945 3.383352 7.944763 6.189262 5.104885 8.478694 4.892761 7.438032 8.495328 9.243058 4.542197 6.177385 3.762459 2.169534 2.172754 1.078800 4.069119 4.035818 4.282390 5.658250 5.930774 4.420169 7.672312 9.466013 4.834892 5.335101 3.577697 5.635868 0.000000 7.029948 3.720692 2.859300 5.056375 5.420354 2.107691 6.204018 3.981085 2.939580 6.181349 3.317193 4.485543 2.619427 4.918410 4.355644 3.574105 3.301143 5.274126 4.495802 4.963148 5.681377 5.719844 4.753029 4.362152 3.875906 2.709397 4.943625 4.038277 1.090725 7.273882 2.357457 3.684771 5.398780 4.746018 5.628831 6.749818 5.779258 4.894123 4.196728 5.457741 4.575868 0.000000 7.694013 4.082160 3.225224 5.101309 5.730007 2.096230 6.170928 5.290274 4.445853 7.386284 3.492048 4.633179 2.703938 4.957647 5.282634 5.252174 4.966145 6.665838 5.968297 6.649211 7.264716 6.665614 5.958984 4.599052 3.961522 2.714902 4.933308 4.004809 1.091131 7.259248 3.936828 5.394880 6.958321 6.101911 7.357102 8.342673 6.897156 6.124340 5.166614 5.617193 4.507135 1.779481 0.000000 8.590665 5.183833 4.066727 6.375710 7.035921 2.019925 6.700054 5.704579 4.661136 7.862566 4.830279 5.896403 3.723518 5.893673 6.023535 5.106559 4.495735 6.960048 5.592337 6.459111 7.282798 7.372635 6.013495 5.920848 5.054316 3.242207 5.575724 4.368154 1.087344 7.954927 3.515769 4.577678 6.526945 5.520717 6.977987 8.323715 6.939771 6.376626 5.362931 6.862463 4.540871 1.789455 1.786048 0.000000 10.782055 8.350834 8.812153 9.011055 6.560037 6.194914 2.091997 8.549816 7.814420 10.148115 6.667874 4.532775 4.922449 2.658499 8.810498 8.045033 7.574711 9.429538 6.929969 8.989059 9.639330 9.796024 5.621352 5.922940 3.921673 4.938415 2.700540 4.012106 7.257804 1.091197 7.051471 8.528477 7.716373 6.943116 9.348451 10.458358 5.431873 5.879298 4.834223 4.152592 4.515626 7.446130 7.232407 8.147017 0.000000 10.464923 8.293653 8.772823 9.114563 6.448661 6.189951 2.091665 7.911808 7.147188 9.434144 6.690709 4.515791 4.931816 2.659915 8.407955 7.125709 6.627311 8.612433 5.717360 7.892479 8.601715 9.311046 4.353148 5.878799 3.923943 4.940717 2.702370 4.009203 7.275303 1.091374 6.326134 7.572683 6.356188 5.759170 8.109683 9.331666 3.927641 4.656319 3.805310 4.093754 4.508609 7.265225 7.479762 8.150117 1.780018 0.000000 12.041700 9.591553 9.922823 10.410454 7.951255 6.695977 2.015241 9.421015 8.542596 11.082070 7.942449 5.869725 5.876693 3.731024 9.898434 8.513102 7.801990 10.218781 6.893150 9.380159 10.195643 10.896438 5.717877 7.273617 5.060065 5.565446 3.240869 4.350188 7.949918 1.087937 7.380176 8.647959 7.593961 6.685912 9.542461 10.961929 5.260817 6.216961 5.062016 5.547198 4.496639 8.160479 8.127496 8.715148 1.790949 1.791311 0.000000 5.686922 2.312233 2.485891 3.411822 3.162562 3.372632 5.755309 3.454110 2.943443 5.390507 1.029629 2.435668 1.797349 3.780278 3.294416 4.042135 4.346517 4.806015 5.178362 5.284370 5.605694 4.633872 4.729863 2.048105 2.454757 2.956768 4.427106 4.170936 2.871160 6.441094 3.613353 5.158517 6.038705 5.724655 6.170795 6.654884 5.689229 4.468024 4.089697 3.436206 5.105767 2.431779 2.602881 3.898598 6.327199 6.347870 7.476223 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1566,-1.0667,-.9688;2.0901,-1.5647,.9198;1.8083,-1.2159,2.3074;2.9207,-2.6962,.5743;1.0614,-1.9164,-1.9719;-2.7864,-.1962,2.7026;-5.5701,-.5134,-1.0471;2.0902,1.0629,.0785;.8801,1.3349,.6038;4.0219,1.3453,-1.0406;.5415,-1.735,.2681;-1.1153,-1.6251,-1.3777;-1.9527,-.9601,.6999;-3.3467,-1.0968,-1.2247;2.7384,-.1559,.0822;.4696,2.5789,.4661;-.8862,2.9069,1.0403;2.9111,1.9483,-.6183;-1.8864,3.4377,-.0056;1.241,3.5823,-.1954;2.4558,3.272,-.7441;3.9216,.0723,-.6252;-2.1949,2.426,-1.1108;.2526,-1.7689,-1.0842;-2.1799,-1.2162,-.5889;-2.9844,-.5053,1.419;-4.367,-.66,-.4813;-4.2499,-.3289,.8706;-1.4829,-.4559,3.2753;-5.7108,-.8405,-2.4418;-1.2859,2.0072,1.5112;-.7558,3.6558,1.8299;-1.5056,4.366,-.4451;-2.8096,3.7062,.5173;.8473,4.5884,-.259;3.0736,3.9933,-1.2625;-2.9052,2.836,-1.8328;-1.2922,2.1377,-1.6571;-2.6332,1.5198,-.6906;-1.3251,-1.7299,-2.3609;-5.0858,.0334,1.4484;-.6984,.0875,2.747;-1.26,-1.5238,3.2521;-1.558,-.1113,4.3038;-5.4665,-1.889,-2.6198;-5.0628,-.2105,-3.0535;-6.757,-.6481,-2.6701;-.2146,-1.3841,.8725; 0.2281879 0.1008202 0.0900336 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= 796 794 795 795 796 MxSgAt= 48 MxSgA2= 48. 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= 784 RedAO= T EigKep= 1.05D-06 NBF= 784 NBsUse= 783 1.00D-06 EigRej= 7.51D-07 NBFU= 783 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= 796 794 795 796 796 MxSgAt= 48 MxSgA2= 48. 1 -2.78110092e+00 2.63424698e+00 -2.99925481e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 17 16 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.010678982 -0.006750559 0.007765155 -0.001852139 0.005111871 0.000830655 0.003277810 -0.005039871 -0.014614811 -0.007124116 -0.010382456 0.007202464 -0.010256716 0.004708504 0.012113654 0.006850506 -0.001846661 -0.010912920 0.013155621 0.000978978 -0.002692586 0.001136117 -0.004674365 -0.000549999 0.011543412 -0.011369921 -0.003786153 -0.010795594 0.007950994 0.005357650 0.004133818 -0.005049946 -0.003327210 -0.000453517 0.001489377 0.006071995 -0.009667810 -0.002447502 -0.004363988 0.000822857 0.003577879 0.011437140 -0.001107825 -0.005188518 0.001244693 0.002649713 0.008991069 -0.004750147 0.001359187 -0.002254659 -0.003795961 0.000734250 0.015593489 -0.002735013 0.002601678 0.003094073 -0.001142577 0.004074521 0.003807633 -0.003023300 -0.005008775 0.002721791 0.002335776 -0.002394641 -0.002637533 0.001030297 0.001802266 -0.001390853 0.003218093 0.004596165 -0.000936778 -0.002719148 0.000362276 -0.000302090 -0.000401395 0.005618628 0.002435045 0.004912365 -0.003360997 -0.002315387 -0.007554188 0.004303799 -0.000421517 -0.002816158 -0.011145824 -0.002964943 -0.006207017 0.003166124 0.003728210 0.011869946 -0.000065730 -0.001135682 0.000444781 -0.000576897 0.000820747 -0.001088086 -0.000901084 0.001236794 0.000241045 0.001554872 -0.000039074 -0.001105254 0.000491462 0.000596838 -0.000436861 -0.000990457 0.000575446 0.000477112 0.001579420 0.001305763 0.001094686 -0.001821642 -0.000308319 0.000780165 0.000372728 -0.002418087 -0.000180168 -0.000649873 0.000627322 0.001666013 -0.000132156 0.000072762 0.000107391 0.000390422 0.001351315 0.001295901 0.000732477 -0.000590666 0.001713200 0.001222939 -0.000158587 -0.001229259 -0.001158484 -0.001715458 -0.000530998 -0.001467177 0.000921741 -0.001265398 0.001691309 -0.000005653 -0.000800934 0.001386056 0.000647441 -0.001180648 0.015593489 0.004804212 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2238.73919618449 -2238.73919782235 -0.000001637857 -2238.73919778821 0.000000034143 -2238.73919784562 -0.000000057416 -2238.73919784584 -0.000000000216 -2238.73919784618 -0.000000000341 -2238.73919784644 -0.000000000256 -2238.73919784609 0.000000000350 -2238.73919784622 -0.000000000131 -2238.73919785 9 2.231834340644e+03 -1.244888699050e+04 4.384604188735e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414237204 LenY= 1413573794 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) PT282307.900S Mon Sep 9 09:52:25 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.533839 0.611606 -0.192493 0.030019 -0.196430 -0.136586 -0.125167 0.548351 -0.112870 0.018918 -0.486409 -0.377776 -0.165418 -0.040282 -0.569152 0.195816 -0.223164 -0.257638 -0.355087 -0.394489 -0.293278 -0.231998 -0.431908 0.227003 -0.288234 0.371449 0.164043 -0.563930 -0.248282 -0.218775 0.150825 0.165116 0.129271 0.153591 0.140085 0.151065 0.147237 0.138975 0.131952 0.341615 0.138439 0.178644 0.173837 0.163796 0.162365 0.161243 0.162873 0.417392 -0.00000 -101.56341 -89.09290 -19.18972 -19.18964 -19.13243 -19.13204 -19.11749 -14.45625 -14.39001 -14.38085 -14.36492 -14.34165 -14.33705 -14.33435 -10.33705 -10.32058 -10.30804 -10.30630 -10.28773 -10.27786 -10.25902 -10.25648 -10.24295 -10.23761 -10.23479 -10.22463 -10.20281 -10.19749 -10.19577 -10.17752 -9.47808 -8.15248 -7.24318 -7.23290 -7.23195 -6.11574 -6.11443 -6.11417 -1.14512 -1.11754 -1.11216 -1.11043 -1.08785 -1.03450 -1.03005 -1.00471 -0.96011 -0.93609 -0.91774 -0.90282 -0.88220 -0.83974 -0.82516 -0.82070 -0.78312 -0.76230 -0.73881 -0.72490 -0.71832 -0.70351 -0.68193 -0.67862 -0.65311 -0.63760 -0.62655 -0.60432 -0.59681 -0.59010 -0.57797 -0.55731 -0.54429 -0.54083 -0.53202 -0.52450 -0.51834 -0.51532 -0.51031 -0.50277 -0.49715 -0.49549 -0.47951 -0.47825 -0.47219 -0.46806 -0.46386 -0.46020 -0.45220 -0.44536 -0.44442 -0.43909 -0.43018 -0.41636 -0.41157 -0.39197 -0.38828 -0.38530 -0.38049 -0.37933 -0.37405 -0.36998 -0.36766 -0.36284 -0.35934 -0.35370 -0.34572 -0.34231 -0.33944 -0.32649 -0.31852 -0.31490 -0.31002 -0.30849 -0.30510 -0.30132 -0.29878 -0.27915 -0.26110 -0.25763 -0.09075 -0.05693 -0.04886 -0.03924 -0.01798 -0.00944 -0.00528 0.00199 0.00446 0.01004 0.01281 0.01443 0.01533 0.02139 0.02494 0.02668 0.03125 0.03607 0.03711 0.04468 0.04555 0.04846 0.04964 0.05505 0.05709 0.06108 0.06600 0.06785 0.07057 0.07223 0.07324 0.07965 0.08086 0.08385 0.08646 0.08877 0.09480 0.09683 0.09799 0.09914 0.10162 0.10289 0.10571 0.11080 0.11206 0.11480 0.11824 0.12021 0.12128 0.12373 0.12664 0.13059 0.13149 0.13389 0.13668 0.13849 0.14157 0.14415 0.14597 0.14843 0.14971 0.15240 0.15425 0.15611 0.16279 0.16333 0.16613 0.16941 0.17093 0.17251 0.17465 0.17835 0.17897 0.18484 0.18587 0.18815 0.18959 0.19401 0.19639 0.19764 0.20007 0.20074 0.20250 0.20495 0.20929 0.21054 0.21229 0.21347 0.21421 0.22035 0.22260 0.22514 0.22928 0.23047 0.23472 0.23722 0.23949 0.24062 0.24132 0.24459 0.24526 0.24785 0.25238 0.25353 0.25812 0.25881 0.26355 0.26562 0.26806 0.27238 0.27323 0.27753 0.27957 0.28086 0.28490 0.28762 0.28887 0.29251 0.29607 0.29766 0.30048 0.30362 0.30635 0.30961 0.31094 0.31238 0.31732 0.31899 0.32213 0.32390 0.32779 0.32881 0.33189 0.33817 0.34013 0.34191 0.34684 0.34990 0.35244 0.35585 0.35964 0.36258 0.36524 0.36729 0.37145 0.37602 0.37968 0.38211 0.38453 0.38766 0.38982 0.39157 0.39347 0.40096 0.40216 0.40303 0.40864 0.41654 0.41915 0.42628 0.43031 0.43298 0.43653 0.44211 0.44476 0.44744 0.45424 0.45518 0.46314 0.46476 0.46766 0.47618 0.47765 0.48291 0.48862 0.49049 0.49840 0.50114 0.50310 0.50737 0.51589 0.51638 0.52174 0.52767 0.53336 0.53583 0.53726 0.54568 0.55043 0.55359 0.56097 0.56479 0.57659 0.57889 0.58657 0.59093 0.59415 0.60155 0.60867 0.61881 0.62013 0.62167 0.62749 0.63720 0.63986 0.64273 0.64597 0.65333 0.65467 0.66062 0.66894 0.67345 0.67713 0.68296 0.68587 0.68933 0.69995 0.70426 0.71063 0.71581 0.72416 0.72709 0.72994 0.73299 0.73619 0.74025 0.74117 0.74675 0.75263 0.75889 0.75999 0.76311 0.76810 0.77718 0.77862 0.78227 0.78650 0.78867 0.81527 0.81668 0.82039 0.82837 0.84100 0.84250 0.84791 0.85477 0.85727 0.86272 0.86476 0.87653 0.88540 0.89204 0.89566 0.89727 0.90365 0.90913 0.91490 0.92503 0.92923 0.93458 0.93710 0.93862 0.94685 0.95023 0.95497 0.95915 0.97311 0.97823 0.98053 0.98675 0.99448 0.99947 1.00389 1.00739 1.01230 1.01376 1.01633 1.01918 1.02597 1.03094 1.03408 1.04242 1.04732 1.05666 1.06046 1.06298 1.06952 1.08179 1.08610 1.09342 1.09581 1.10589 1.11108 1.11494 1.12781 1.13820 1.14547 1.15356 1.15542 1.16241 1.16955 1.17531 1.18446 1.18898 1.19405 1.19815 1.20904 1.21450 1.21832 1.22441 1.23210 1.24052 1.24484 1.25026 1.25466 1.26081 1.27693 1.28167 1.28767 1.28823 1.29559 1.30598 1.31516 1.31796 1.32123 1.32794 1.33593 1.34356 1.34872 1.35769 1.36255 1.36766 1.36966 1.38167 1.38722 1.40882 1.42441 1.42814 1.43476 1.44380 1.45800 1.46879 1.48214 1.49138 1.50220 1.51126 1.51673 1.51934 1.52900 1.53253 1.53627 1.54732 1.55836 1.56507 1.57210 1.57958 1.58036 1.58509 1.60024 1.60455 1.61810 1.61954 1.62452 1.63212 1.63357 1.64181 1.64490 1.65394 1.65908 1.66716 1.67115 1.67525 1.68275 1.68911 1.69073 1.69858 1.70340 1.71186 1.71478 1.71782 1.72443 1.72776 1.73526 1.74271 1.75352 1.76168 1.77307 1.77417 1.78406 1.79013 1.79381 1.79787 1.80412 1.81825 1.82322 1.82971 1.83478 1.85158 1.87074 1.87885 1.88683 1.89872 1.90747 1.91330 1.92554 1.93008 1.93755 1.94543 1.95652 1.96382 1.98016 1.98387 1.98682 2.00082 2.00836 2.01678 2.02529 2.04254 2.05753 2.06922 2.07693 2.08313 2.08987 2.09589 2.11508 2.11999 2.12311 2.12963 2.13131 2.14277 2.15093 2.16668 2.17525 2.17844 2.19177 2.20482 2.21234 2.22225 2.23702 2.24147 2.25253 2.26187 2.28075 2.30526 2.31728 2.32767 2.34258 2.34783 2.35773 2.36241 2.38271 2.39924 2.40483 2.41632 2.42256 2.42926 2.43162 2.44698 2.45045 2.46201 2.47831 2.48749 2.50453 2.51010 2.51279 2.51796 2.52717 2.52940 2.53157 2.54277 2.55547 2.56180 2.57183 2.57696 2.59047 2.59687 2.60341 2.61880 2.62086 2.65050 2.66036 2.66948 2.67095 2.67383 2.68452 2.69535 2.70230 2.71185 2.72041 2.72819 2.73565 2.74009 2.75618 2.76116 2.76526 2.77553 2.78377 2.78740 2.79615 2.80393 2.80647 2.81291 2.81759 2.82464 2.82823 2.84001 2.84618 2.84864 2.85311 2.86237 2.86643 2.87511 2.88102 2.88933 2.89714 2.90408 2.90916 2.91805 2.92815 2.93476 2.94387 2.95209 2.95931 2.97049 2.98389 2.98785 2.99912 3.00605 3.01549 3.02261 3.04125 3.04328 3.04618 3.05742 3.06393 3.07439 3.11905 3.12402 3.14045 3.14297 3.16872 3.19497 3.20897 3.21429 3.23051 3.23823 3.28250 3.29156 3.31061 3.34387 3.36568 3.37682 3.38048 3.40342 3.41244 3.41803 3.43099 3.46967 3.49749 3.50902 3.52678 3.55634 3.56548 3.59319 3.60502 3.62275 3.68861 3.69046 3.72256 3.75703 3.77503 3.78448 3.79730 3.81063 3.81344 3.81872 3.83462 3.86049 3.87997 3.88511 3.91932 3.94001 3.94547 3.95874 3.96496 3.97701 3.98870 3.99862 4.02228 4.06310 4.06884 4.07411 4.09253 4.16445 4.18223 4.24909 4.28151 4.31322 4.37181 4.38750 4.43519 4.50217 4.59783 4.67672 4.69009 4.73886 4.81667 4.96189 5.01850 5.04123 5.05190 5.09478 5.11113 5.12075 5.14756 5.18635 5.19652 5.23509 5.26856 5.31219 5.35475 5.36939 5.40891 5.51594 5.76232 5.82702 5.84101 8.23323 9.82102 17.36869 17.46594 17.59094 23.64785 23.73786 23.74602 23.83555 23.85551 23.89396 23.90192 23.91817 23.92480 23.93552 23.95717 23.96267 23.96922 24.00263 24.08603 24.13516 25.87640 26.18262 26.76895 35.47068 35.54207 35.58968 35.60592 35.68784 35.69555 35.72338 49.89032 49.94004 49.94858 49.96964 50.03317 189.34846 215.81804 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.581588 0.678846 -0.159474 0.047876 -0.205269 -0.134716 -0.119855 0.671526 -0.219390 0.083149 -0.380917 -0.343902 -0.170420 -0.025507 -0.075032 0.178163 -0.183304 -0.355986 -0.295340 -0.441300 -0.385498 -0.857908 -0.455911 0.203198 -0.275002 0.399574 0.113809 -0.614674 -0.257386 -0.209416 0.148534 0.166454 0.125133 0.154176 0.141558 0.153565 0.147917 0.142032 0.118941 0.334302 0.142971 0.186429 0.176120 0.164731 0.165158 0.164269 0.164749 0.411439 -0.00000 -2.98417298e+00 2.52797365e+00 -2.27527506e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.5850 6.4255 -0.5783 9.9576 -197.8403 -180.1146 -188.5254 13.9005 9.9397 1.1058 -9.0135 8.7121 0.3014 13.9005 9.9397 1.1058 -132.5865 68.0924 5.8571 -18.9436 -7.9955 -43.1009 -62.0906 -6.2692 -6.0210 -7.0893 -10410.6138 -3631.1230 -2146.5255 -44.4126 415.3186 121.1797 -25.5232 88.8153 24.3727 -2402.3920 -2015.4954 -1017.3268 98.6273 -23.5262 37.6964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2238.7391978 4.444E-9 7.764E-6 -7.5128765,5.0062937,2.5065828,-5.3277854,10.9814711,-3.5605186 C01 [X(C16H18Cl1N7O5S1)] 3.0944754 2.2301764 -0.8934446 0.000005579 0.000001766 -0.000004205 -0.000004801 -0.000010301 0.000002691 -0.000005200 0.000005266 0.000012123 0.000011135 0.000011268 -0.000008403 -0.000007371 0.000004972 0.000009382 0.000010394 -0.000001098 0.000021461 -0.000014259 -0.000002653 -0.000003493 0.000004472 0.000008569 0.000004615 -0.000007403 0.000002471 -0.000001885 -0.000008564 -0.000000896 0.000009527 -0.000022314 -0.000020114 -0.000019084 0.000002394 -0.000003157 0.000001783 -0.000007727 -0.000002623 -0.000000827 -0.000000850 -0.000002870 0.000003303 0.000023074 -0.000021577 -0.000022820 0.000005008 -0.000018882 -0.000000556 -0.000001199 0.000005899 0.000004480 0.000010596 -0.000000108 -0.000006896 -0.000000287 -0.000003614 0.000002899 -0.000001600 0.000011497 -0.000001894 -0.000002721 0.000000607 0.000003784 -0.000026232 0.000015414 0.000011023 -0.000001577 -0.000002508 -0.000008760 0.000014805 0.000010038 0.000010752 0.000005776 0.000005577 -0.000000903 -0.000004257 -0.000003501 -0.000024911 0.000014415 0.000001223 0.000007879 0.000003924 0.000004656 -0.000001083 -0.000012221 0.000000003 -0.000000919 0.000000391 -0.000001117 -0.000001066 0.000000048 -0.000002529 0.000000674 -0.000000566 -0.000000270 -0.000000718 0.000000882 0.000001456 -0.000000018 0.000001850 -0.000000077 -0.000002254 0.000000433 0.000000472 0.000002237 -0.000000724 -0.000000094 0.000000261 0.000001896 0.000002551 0.000001973 -0.000002183 -0.000001333 0.000002358 0.000002150 -0.000000243 0.000001934 -0.000001263 0.000000954 0.000000824 -0.000000413 -0.000001106 -0.000001131 0.000001289 0.000001168 0.000000168 0.000001750 0.000000441 -0.000000532 0.000000683 0.000000829 -0.000001134 -0.000000504 -0.000001976 -0.000000070 -0.000000904 0.000000554 -0.000000514 0.000000789 -0.000000756 -0.000000797 0.000011404 0.000005751 -0.000001260 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; Gaussian 16 GINC-DEPAZ12 ALCAMI Optimization CONF24 gas EM64L-G16RevC.01 138 C1[X(C16H18ClN7O5S)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; Optimization CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 35 32 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 2 2 2 2 5 6 6 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 14 14 15 16 16 17 17 17 18 19 19 19 20 20 21 23 23 23 26 27 28 29 29 29 30 30 30 22 3 4 11 15 24 26 29 27 30 9 15 18 16 18 22 24 48 24 25 40 25 26 25 27 22 17 20 19 31 32 21 23 33 34 21 35 36 37 38 39 28 28 41 42 43 44 45 46 47 1.7148 1.4582 1.4455 1.6887 1.7626 1.2099 1.335 1.4473 1.3375 1.4394 1.347 1.3805 1.394 1.3172 1.3326 1.3428 1.3832 1.0296 1.4064 1.3867 1.0108 1.3335 1.3373 1.3342 1.3359 1.3974 1.5085 1.4281 1.5414 1.0914 1.096 1.4054 1.5298 1.0954 1.0944 1.3687 1.0822 1.082 1.0927 1.0937 1.0908 1.3905 1.3967 1.0788 1.0907 1.0911 1.0873 1.0912 1.0914 1.0879 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 3 3 3 4 4 11 26 27 9 9 15 8 18 2 2 24 24 24 25 25 25 2 2 8 9 9 17 16 16 16 19 19 31 8 8 10 17 17 17 23 23 33 16 16 21 18 18 20 1 1 10 19 19 19 37 37 38 5 5 11 12 12 13 6 6 13 7 7 14 26 26 27 6 6 6 42 42 43 7 7 7 45 45 46 2 2 2 2 2 2 6 7 8 8 8 9 10 11 11 11 12 12 12 13 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 30 30 30 4 11 15 11 15 15 29 30 15 18 18 16 22 24 48 48 25 40 40 26 27 8 22 22 17 20 20 19 31 32 31 32 32 10 21 21 23 33 34 33 34 34 21 35 35 20 36 36 10 15 15 37 38 39 38 39 39 11 12 12 13 14 14 13 28 28 14 28 28 27 41 41 42 43 44 43 44 44 45 46 47 46 47 47 121.7169 102.369 109.3948 110.8374 107.4983 103.5609 118.193 118.2245 126.8011 126.5632 106.599 115.4615 105.5879 124.8423 114.3639 115.3911 131.1575 113.2226 115.124 116.9763 115.5958 122.2966 133.0478 104.5946 116.4649 122.9373 120.5962 113.5649 108.3073 108.4128 109.819 109.3137 107.2202 111.2128 116.883 131.902 113.163 109.7835 107.9199 109.9166 109.7167 106.079 120.3846 118.9452 120.6696 117.7241 119.0633 123.2125 120.927 127.0686 112.0042 111.1178 111.6365 110.6125 107.7824 107.7616 107.7669 125.4967 120.6281 113.8728 118.4017 115.2598 126.3275 118.7751 118.9997 122.2204 119.1693 117.3168 123.5108 115.3417 122.4479 122.2096 111.5189 110.5568 104.7847 109.2898 110.4862 110.1418 110.7651 110.7269 104.9048 109.2856 110.5434 110.5633 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 3 3 4 4 15 15 3 3 4 4 11 11 29 29 26 26 26 30 30 27 27 27 15 18 9 9 18 18 9 9 15 15 8 8 22 22 18 18 2 2 48 48 25 25 40 40 24 24 40 40 26 26 25 25 27 27 25 25 2 2 8 8 9 9 9 20 20 20 9 9 17 17 16 16 16 31 31 31 32 32 32 8 8 10 10 17 17 17 33 33 33 34 34 34 16 16 35 35 6 6 13 13 7 7 14 14 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 26 26 26 26 27 27 27 27 11 11 11 11 11 11 15 15 15 15 15 15 26 26 29 29 29 27 27 30 30 30 9 9 15 15 15 15 18 18 18 18 16 16 18 18 22 22 24 24 24 24 24 24 24 24 25 25 25 25 25 25 26 26 25 25 27 27 22 22 22 22 17 17 17 17 17 17 20 20 20 20 19 19 19 19 19 19 19 19 19 21 21 21 21 23 23 23 23 23 23 23 23 23 21 21 21 21 28 28 28 28 28 28 28 28 24 48 24 48 24 48 8 22 8 22 8 22 13 28 42 43 44 14 28 45 46 47 16 16 2 22 2 22 10 21 10 21 17 20 8 21 1 15 5 12 5 12 5 11 5 11 13 14 13 14 12 14 6 28 12 13 7 28 1 10 1 10 19 31 32 19 31 32 21 35 21 35 23 33 34 23 33 34 23 33 34 20 36 20 36 37 38 39 37 38 39 37 38 39 18 36 18 36 27 41 27 41 26 41 26 41 164.7355 12.0158 -64.0143 143.266 50.994 -101.7257 -53.276 123.4142 172.6663 -10.6436 55.2976 -128.0122 -4.1362 176.6384 59.4358 -62.3747 178.9836 0.2036 179.595 60.5332 -60.8759 179.8267 -179.5808 -2.0881 -4.8099 177.6889 177.2913 -0.2099 -177.9176 2.5518 -0.0123 -179.5429 179.7054 0.1584 0.2389 179.6764 179.7623 -0.3831 13.6804 -166.877 166.1532 -14.4042 -166.9922 13.5352 4.3853 -175.0873 -3.7932 175.0755 -175.0402 3.8285 176.8256 -1.9044 -177.8663 1.3329 -177.8309 0.9339 179.9799 0.6284 3.1095 -176.7341 -179.7812 0.3752 -120.8029 1.468 117.4952 58.7554 -178.9736 -62.9464 1.1699 -179.1091 -178.359 1.362 62.0599 -61.1462 -176.3386 -59.3701 177.4238 62.2314 -176.7415 60.0524 -55.14 -1.0011 178.8901 179.5867 -0.522 -179.9622 -59.6039 60.3909 -56.8297 63.5287 -176.4765 59.4516 179.8099 -60.1953 -0.6651 179.4485 179.6188 -0.2676 179.2191 -1.0872 0.0216 179.7153 179.5795 -0.1149 -1.0578 179.2477 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00121 0.00249 0.00304 0.00415 0.00446 0.00462 0.00484 0.00576 0.00800 0.00874 0.01112 0.01264 0.01446 0.01479 0.01588 0.01804 0.01821 0.01893 0.01983 0.02221 0.02286 0.02453 0.02529 0.02916 0.03269 0.03706 0.03914 0.03956 0.04211 0.04364 0.04407 0.04535 0.04558 0.04745 0.04936 0.04990 0.05465 0.07091 0.07268 0.07846 0.08349 0.08476 0.08481 0.08497 0.09852 0.10215 0.10461 0.10718 0.11008 0.11344 0.11717 0.11867 0.11983 0.12167 0.12575 0.12805 0.12868 0.14048 0.14955 0.15739 0.16005 0.17362 0.17695 0.18344 0.18638 0.18645 0.18733 0.18925 0.19282 0.19358 0.19986 0.20286 0.20734 0.20844 0.21017 0.21787 0.21880 0.22199 0.22710 0.23660 0.23694 0.24014 0.24482 0.24954 0.25622 0.27339 0.27728 0.28716 0.29161 0.29421 0.30357 0.31654 0.31837 0.32548 0.32854 0.33180 0.33223 0.33409 0.33591 0.33614 0.33646 0.33918 0.34226 0.34364 0.34405 0.34446 0.34771 0.35151 0.35395 0.35839 0.36059 0.36361 0.36603 0.37091 0.37264 0.37937 0.38039 0.39398 0.40392 0.41472 0.42581 0.42961 0.44530 0.45929 0.46735 0.49672 0.51011 0.52127 0.52807 0.55410 0.56102 0.58659 0.59355 0.62325 0.64012 0.84769 1.02246 1.57499 Angle between quadratic step and forces= 77.53 degrees. 1 2 0.00056834 0.00000021 0.00000008 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 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 3.24055 2.75554 2.73168 3.19119 3.33077 2.28642 2.52287 2.73496 2.52757 2.72015 2.54546 2.60869 2.63427 2.48907 2.51822 2.53751 2.61387 1.94572 2.65767 2.62042 1.91016 2.51988 2.52708 2.52124 2.52446 2.64064 2.85072 2.69863 2.91285 2.06236 2.07116 2.65591 2.89087 2.07001 2.06815 2.58639 2.04508 2.04472 2.06490 2.06683 2.06130 2.62762 2.63939 2.03864 2.06117 2.06194 2.05478 2.06206 2.06240 2.05590 2.12436 1.78668 1.90930 1.93448 1.87620 1.80748 2.06286 2.06341 2.21310 2.20894 1.86050 2.01518 1.84286 2.17891 1.99603 2.01395 2.28913 1.97611 2.00929 2.04162 2.01753 2.13448 2.32212 1.82552 2.03270 2.14566 2.10480 1.98208 1.89032 1.89216 1.91670 1.90788 1.87135 1.94103 2.03999 2.30213 1.97507 1.91608 1.88356 1.91841 1.91492 1.85143 2.10111 2.07599 2.10608 2.05467 2.07805 2.15046 2.11057 2.21776 1.95484 1.93937 1.94842 1.93055 1.88116 1.88079 1.88089 2.19033 2.10536 1.98746 2.06650 2.01166 2.20483 2.07302 2.07694 2.13315 2.07990 2.04756 2.15567 2.01309 2.13712 2.13296 1.94637 1.92958 1.82884 1.90747 1.92835 1.92234 1.93322 1.93255 1.83093 1.90739 1.92935 1.92969 2.87518 0.20971 -1.11726 2.50046 0.89001 -1.77545 -0.92984 2.15398 3.01360 -0.18577 0.96513 -2.23424 -0.07219 3.08292 1.03735 -1.08864 3.12385 0.00355 3.13452 1.05650 -1.06248 3.13857 -3.13428 -0.03644 -0.08395 3.10126 3.09432 -0.00366 -3.10525 0.04454 -0.00021 -3.13362 3.13645 0.00276 0.00417 3.13594 3.13744 -0.00669 0.23877 -2.91255 2.89992 -0.25140 -2.91456 0.23623 0.07654 -3.05585 -0.06620 3.05564 -3.05503 0.06682 3.08619 -0.03324 -3.10435 0.02326 -3.10374 0.01630 3.14124 0.01097 0.05427 -3.08459 -3.13777 0.00655 -2.10841 0.02562 2.05068 1.02548 -3.12368 -1.09862 0.02042 -3.12604 -3.11295 0.02377 1.08315 -1.06720 -3.07769 -1.03620 3.09663 1.08614 -3.08472 1.04811 -0.96237 -0.01747 3.12222 3.13438 -0.00911 -3.14093 -1.04028 1.05402 -0.99186 1.10878 -3.08010 1.03763 3.13827 -1.05061 -0.01161 3.13197 3.13494 -0.00467 3.12796 -0.01898 0.00038 3.13662 3.13425 -0.00201 -0.01846 3.12846 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00003 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00003 -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 0.00001 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 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00003 -0.00002 0.00001 -0.00003 0.00002 -0.00006 0.00004 -0.00004 -0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00003 -0.00002 0.00008 0.00003 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00001 0.00001 0.00008 0.00000 0.00003 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00003 0.00004 -0.00004 -0.00002 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00002 0.00001 -0.00001 -0.00003 0.00003 -0.00013 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00005 0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00006 -0.00003 -0.00003 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00003 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00034 -0.00001 -0.00034 -0.00002 -0.00039 -0.00006 -0.00049 0.00050 -0.00051 0.00049 -0.00045 0.00055 0.00034 0.00032 -0.00032 -0.00032 -0.00032 -0.00001 -0.00003 0.00001 0.00001 0.00001 -0.00004 0.00009 0.00082 0.00007 0.00071 -0.00004 -0.00009 -0.00011 0.00003 0.00000 0.00009 -0.00001 0.00000 0.00003 0.00002 -0.00003 0.00003 -0.00000 -0.00026 -0.00030 -0.00004 -0.00001 0.00009 0.00012 0.00027 0.00031 0.00015 0.00018 0.00008 0.00004 -0.00012 -0.00009 -0.00001 0.00003 -0.00007 -0.00005 -0.00088 -0.00082 -0.00001 0.00005 -0.00046 -0.00044 -0.00049 -0.00036 -0.00034 -0.00039 -0.00005 -0.00005 -0.00015 -0.00016 0.00023 0.00022 0.00024 0.00023 0.00021 0.00023 0.00024 0.00022 0.00024 0.00004 0.00003 0.00001 0.00000 0.00048 0.00047 0.00049 0.00049 0.00048 0.00050 0.00047 0.00046 0.00048 0.00003 0.00004 0.00003 0.00004 0.00010 0.00006 0.00007 0.00003 0.00002 0.00006 0.00000 0.00004 -0.00003 -0.00003 -0.00002 0.00001 -0.00003 0.00002 -0.00006 0.00004 -0.00004 -0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00003 -0.00002 0.00008 0.00003 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00001 0.00001 0.00008 0.00000 0.00003 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00003 0.00004 -0.00004 -0.00002 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00002 0.00001 -0.00001 -0.00003 0.00003 -0.00013 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00005 0.00000 -0.00002 -0.00000 -0.00001 0.00001 0.00006 -0.00003 -0.00003 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00002 -0.00003 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00002 -0.00001 0.00002 0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00034 -0.00001 -0.00034 -0.00002 -0.00039 -0.00006 -0.00049 0.00050 -0.00051 0.00049 -0.00045 0.00055 0.00034 0.00032 -0.00032 -0.00032 -0.00032 -0.00001 -0.00003 0.00001 0.00001 0.00001 -0.00004 0.00009 0.00082 0.00007 0.00071 -0.00004 -0.00009 -0.00011 0.00003 0.00000 0.00009 -0.00001 0.00000 0.00003 0.00002 -0.00003 0.00003 -0.00000 -0.00026 -0.00030 -0.00004 -0.00001 0.00009 0.00012 0.00027 0.00031 0.00015 0.00018 0.00008 0.00004 -0.00012 -0.00009 -0.00001 0.00003 -0.00007 -0.00005 -0.00088 -0.00082 -0.00001 0.00005 -0.00046 -0.00044 -0.00049 -0.00036 -0.00034 -0.00039 -0.00005 -0.00005 -0.00015 -0.00016 0.00023 0.00022 0.00024 0.00023 0.00021 0.00023 0.00024 0.00022 0.00024 0.00004 0.00003 0.00001 0.00000 0.00048 0.00047 0.00049 0.00049 0.00048 0.00050 0.00047 0.00046 0.00048 0.00003 0.00004 0.00003 0.00004 0.00010 0.00006 0.00007 0.00003 0.00002 0.00006 0.00000 0.00004 3.24052 2.75551 2.73165 3.19120 3.33074 2.28643 2.52281 2.73499 2.52753 2.72015 2.54544 2.60867 2.63426 2.48906 2.51825 2.53748 2.61395 1.94575 2.65766 2.62043 1.91016 2.51989 2.52710 2.52122 2.52447 2.64072 2.85072 2.69866 2.91283 2.06238 2.07116 2.65589 2.89085 2.07001 2.06816 2.58640 2.04508 2.04472 2.06492 2.06684 2.06130 2.62764 2.63940 2.03864 2.06117 2.06193 2.05478 2.06207 2.06240 2.05590 2.12436 1.78670 1.90934 1.93444 1.87618 1.80747 2.06286 2.06341 2.21308 2.20895 1.86052 2.01519 1.84285 2.17888 1.99606 2.01383 2.28914 1.97610 2.00931 2.04161 2.01752 2.13453 2.32213 1.82550 2.03269 2.14566 2.10481 1.98214 1.89029 1.89213 1.91671 1.90789 1.87133 1.94103 2.04000 2.30211 1.97506 1.91609 1.88356 1.91841 1.91492 1.85141 2.10110 2.07600 2.10608 2.05467 2.07804 2.15047 2.11059 2.21774 1.95485 1.93938 1.94843 1.93056 1.88114 1.88078 1.88089 2.19033 2.10536 1.98746 2.06648 2.01166 2.20485 2.07302 2.07695 2.13313 2.07989 2.04757 2.15567 2.01310 2.13710 2.13297 1.94636 1.92956 1.82882 1.90748 1.92836 1.92235 1.93321 1.93254 1.83093 1.90740 1.92935 1.92970 2.87484 0.20971 -1.11760 2.50045 0.88963 -1.77551 -0.93034 2.15449 3.01309 -0.18527 0.96468 -2.23369 -0.07185 3.08324 1.03703 -1.08896 3.12354 0.00354 3.13450 1.05651 -1.06247 3.13858 -3.13432 -0.03635 -0.08312 3.10133 3.09503 -0.00371 -3.10533 0.04443 -0.00019 -3.13361 3.13654 0.00275 0.00417 3.13598 3.13746 -0.00672 0.23880 -2.91256 2.89966 -0.25170 -2.91460 0.23622 0.07662 -3.05573 -0.06593 3.05595 -3.05488 0.06700 3.08627 -0.03320 -3.10447 0.02317 -3.10374 0.01633 3.14117 0.01092 0.05339 -3.08542 -3.13778 0.00660 -2.10887 0.02518 2.05019 1.02511 -3.12402 -1.09901 0.02037 -3.12609 -3.11311 0.02362 1.08338 -1.06698 -3.07745 -1.03598 3.09684 1.08638 -3.08449 1.04834 -0.96213 -0.01743 3.12225 3.13439 -0.00911 -3.14045 -1.03981 1.05451 -0.99137 1.10927 -3.07960 1.03810 3.13874 -1.05013 -0.01158 3.13200 3.13497 -0.00463 3.12806 -0.01892 0.00045 3.13665 3.13427 -0.00195 -0.01846 3.12851 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000004 0.002765 0.000568 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.151190e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 784 A 784 1255 814 118 118 3593.7743259369 48 48 48 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=131 Grimme-D3 -0.0650626604 0.000000 3.635753 0.000000 4.686839 1.458170 0.000000 3.167925 1.445541 2.536164 0.000000 4.301039 3.089331 4.400076 3.247781 0.000000 8.793661 5.369446 4.723099 6.584102 6.294077 0.000000 10.741216 7.978196 8.135527 8.915499 6.841033 4.680773 0.000000 3.877461 2.759052 3.200071 3.881551 3.760172 5.679196 7.901403 0.000000 5.150674 3.157812 3.204754 4.518270 4.151888 4.493628 6.909891 1.346997 0.000000 2.666567 4.005434 4.761142 4.489353 4.502276 7.920906 9.770380 2.250178 3.546120 0.000000 4.824463 1.688704 2.456200 2.584179 2.306658 4.401122 6.369742 3.203571 3.106737 4.828440 0.000000 6.309922 3.944167 4.721725 4.609370 2.275000 4.635030 4.603318 4.429575 4.082843 5.943651 2.337883 0.000000 7.303280 4.093625 4.098142 5.174896 4.139752 2.299882 4.041892 4.563329 3.647050 6.636229 2.647276 2.336662 0.000000 8.507193 5.863130 6.250128 6.713740 4.545447 4.068023 2.305495 5.993579 5.207936 7.764894 4.213550 2.298220 2.380340 0.000000 2.789627 1.762566 2.634358 2.593914 3.182907 6.114844 8.392458 1.380457 2.438822 2.271956 2.711860 4.374961 4.799400 6.294546 0.000000 6.108770 4.472267 4.425265 5.817725 5.147953 4.827537 6.951974 2.252731 1.317161 4.050966 4.319034 4.856425 4.294945 5.561812 3.574040 0.000000 7.506133 5.372915 5.085640 6.790030 6.010885 4.000421 6.163941 3.631088 2.404495 5.555029 4.917535 5.141818 4.025763 5.216690 4.841138 1.508537 0.000000 3.775646 3.921905 4.448341 4.795191 4.493320 6.934633 8.841648 1.393995 2.448419 1.332586 4.468503 5.436708 5.818331 6.985761 2.224488 2.744870 4.253190 0.000000 8.415534 6.456970 6.376252 7.814635 6.420410 4.620543 5.501362 4.632521 3.527956 6.352726 5.720683 5.301775 4.454449 4.917314 5.857488 2.551641 1.541413 5.060619 0.000000 6.127320 5.334480 5.441382 6.544744 5.781353 6.236614 7.993146 2.672765 2.412405 3.667727 5.383115 5.836668 5.624425 6.633258 4.036556 1.428053 2.551077 2.374501 3.136454 0.000000 5.115593 5.127986 5.465524 6.129733 5.510995 7.168611 8.878924 2.385428 2.837585 2.500539 5.455174 6.093856 6.279339 7.279144 3.537409 2.426883 3.806111 1.405445 4.407665 1.368660 0.000000 1.714824 2.902022 3.837398 3.178901 3.734878 7.492946 9.519087 2.197825 3.515044 1.342791 3.935658 5.368182 6.109761 7.386094 1.397367 4.403421 5.824460 2.130857 6.741118 4.437442 3.521468 0.000000 8.140204 6.197557 6.401011 7.432691 5.495506 4.665643 4.476169 4.651287 3.685891 6.310353 5.167489 4.200932 3.847423 3.708045 5.694407 3.099922 2.563441 5.151878 1.529780 3.738978 4.741163 6.571657 0.000000 4.955342 2.726528 3.772081 3.275507 1.209920 5.103784 5.956611 3.570396 3.588401 4.889516 1.383198 1.406380 2.949641 3.664209 3.184505 4.620978 5.260545 4.593729 5.731209 5.513804 5.511796 4.130632 4.856701 0.000000 7.347822 4.542016 4.928892 5.436792 3.592861 3.498881 3.492478 4.886085 4.158653 6.725121 2.899912 1.386667 1.333464 1.334180 5.075799 4.747187 4.618235 5.994464 4.699481 5.906186 6.454267 6.236164 3.679456 2.543167 0.000000 8.502491 5.207809 4.925862 6.354757 5.464197 1.335044 3.573181 5.477986 4.357227 7.652603 3.907512 3.545306 1.337274 2.733209 5.887191 4.727667 4.023582 6.702836 4.333869 6.096621 6.967269 7.225328 3.951740 4.282589 2.276890 0.000000 9.544751 6.668987 6.798564 7.640075 5.767840 3.584749 1.337531 6.706547 5.717445 8.643343 5.080451 3.508420 2.704466 1.335884 7.145489 5.897514 5.210909 7.732605 4.813533 7.037603 7.879071 8.322149 3.825909 4.788956 2.259338 2.355143 0.000000 9.612989 6.459441 6.289124 7.557018 6.229698 2.348552 2.335464 6.539260 5.399665 8.653193 5.029671 4.069489 2.388422 2.407408 7.034711 5.558137 4.670513 7.660458 4.532210 6.825208 7.780736 8.316957 3.967203 5.115362 2.683701 1.390476 1.396706 0.000000 7.903653 4.420776 3.513749 5.630753 6.011564 1.447277 5.949069 5.029245 3.990900 7.223102 3.844137 4.811702 2.665998 4.912686 5.301357 4.573143 4.081595 6.344041 5.107501 5.980942 6.750216 6.685901 5.296224 4.872426 3.999442 2.388020 4.740417 3.668115 0.000000 10.969097 8.525164 8.901284 9.329665 6.873189 5.952482 1.439440 8.416111 7.579450 10.073026 6.872786 4.781931 4.899780 2.671326 8.844639 7.638416 7.031668 9.243388 6.234053 8.540152 9.299858 9.844605 4.980254 6.186056 4.005244 4.738316 2.383700 3.656199 7.120971 0.000000 7.556765 4.950236 4.538287 6.379212 5.747681 2.919901 5.590392 3.787151 2.442693 5.926394 4.346084 4.644159 3.147584 4.622420 4.787015 2.121562 1.091356 4.706695 2.169731 3.431987 4.548231 5.951974 2.806577 4.833359 3.949664 3.034150 4.536171 3.827930 3.035980 6.581430 0.000000 8.067931 6.015056 5.525973 7.445867 6.986045 4.441050 6.988276 4.229713 3.092880 6.033613 5.760463 6.189141 4.900562 6.215313 5.458288 2.126355 1.096008 4.728142 2.166724 2.845026 4.133662 6.383365 3.497285 6.239838 5.622711 4.738180 6.083391 5.385787 4.418556 7.938210 1.760827 0.000000 8.612386 7.068569 7.050914 8.396731 6.956176 5.688752 6.378903 4.910632 3.997367 6.327092 6.474646 6.075748 5.466021 5.817133 6.223887 2.815203 2.172288 5.038102 1.095401 2.867057 4.120531 6.922610 2.163749 6.413725 5.624606 5.421377 5.783485 5.595001 6.090297 6.984073 3.072364 2.498386 0.000000 9.404762 7.207734 6.982630 8.592450 7.265952 4.472741 5.279462 5.584619 4.386845 7.393907 6.395235 5.906317 4.747838 5.137310 6.773871 3.467964 2.147512 6.091487 1.094418 4.114618 5.431735 7.734320 2.160471 6.474440 5.084362 4.310588 4.741957 4.299051 5.166240 6.151864 2.489288 2.437915 1.749775 0.000000 7.145219 6.387081 6.418701 7.619611 6.729916 6.698312 8.235995 3.753362 3.366084 4.605052 6.352676 6.611365 6.288453 7.130439 5.118698 2.169432 2.742381 3.370224 2.976819 1.082212 2.134356 5.475446 3.828336 6.438102 6.554848 6.591174 7.401569 7.171965 6.585241 8.788925 3.787731 2.793414 2.370689 3.841028 0.000000 5.479884 6.051597 6.440577 6.938801 6.283065 8.222788 9.750384 3.369348 3.919398 2.821432 6.447314 7.009010 7.324664 8.193341 4.374574 3.430646 4.707818 2.150230 5.146878 2.160165 1.082017 4.061965 5.498744 6.418150 7.429149 8.007986 8.810561 8.767293 7.819738 10.095630 5.535666 4.933695 4.666497 6.153206 2.513485 0.000000 8.998351 7.203899 7.468379 8.386913 6.191799 5.456999 4.351735 5.634836 4.745419 7.129808 6.098193 4.828294 4.661783 4.003966 6.668501 4.091518 3.512290 6.007726 2.176861 4.519813 5.487749 7.463348 1.092700 5.633581 4.300503 4.663222 4.023117 4.374196 6.241185 4.664631 3.806830 4.325181 2.495072 2.507854 4.430427 6.116415 0.000000 7.233906 5.638120 6.047903 6.789279 4.698347 5.165932 5.069588 3.950747 3.236523 5.408100 4.697551 3.777327 3.948155 3.856170 4.952939 2.794006 2.834134 4.333946 2.184097 3.261942 4.020877 5.702158 1.093717 4.239849 3.630177 4.394516 4.320186 4.606665 5.575953 5.386036 3.170997 3.840698 2.545464 3.080633 3.540846 4.760162 1.766405 0.000000 8.212710 5.866609 6.016585 7.086632 5.205699 3.805544 3.589764 4.807407 3.748730 6.666559 4.646713 3.559052 2.923437 2.764263 5.679715 3.476636 2.823450 5.561328 2.169089 4.416794 5.382432 6.713055 1.090791 4.393000 2.775247 2.945376 2.793106 2.910141 4.577645 4.255513 2.626926 3.799936 3.071170 2.504055 4.660031 6.246016 1.763808 1.764689 0.000000 6.662566 4.738552 5.645842 5.251238 2.425125 5.488839 4.607192 5.041338 4.800609 6.307937 3.224284 1.010811 3.217961 2.403926 4.995797 5.456999 5.767260 5.874671 5.706725 6.284424 6.475184 5.812767 4.426145 2.029955 2.033424 4.305933 3.732486 4.578218 5.780569 4.475746 5.381533 6.847834 6.392401 6.327682 7.004145 7.301385 4.860401 3.931324 3.881011 0.000000 10.581062 7.370582 7.058826 8.503964 7.299801 2.629216 2.600180 7.377781 6.164324 9.532330 6.015522 5.148031 3.370945 3.383352 7.944763 6.189262 5.104885 8.478694 4.892761 7.438032 8.495328 9.243058 4.542197 6.177385 3.762459 2.169534 2.172754 1.078800 4.069119 4.035818 4.282390 5.658250 5.930774 4.420169 7.672312 9.466013 4.834892 5.335101 3.577697 5.635868 0.000000 7.029948 3.720692 2.859300 5.056375 5.420354 2.107691 6.204018 3.981085 2.939580 6.181349 3.317193 4.485543 2.619427 4.918410 4.355644 3.574105 3.301143 5.274126 4.495802 4.963148 5.681377 5.719844 4.753029 4.362152 3.875906 2.709397 4.943625 4.038277 1.090725 7.273882 2.357457 3.684771 5.398780 4.746018 5.628831 6.749818 5.779258 4.894123 4.196728 5.457741 4.575868 0.000000 7.694013 4.082160 3.225224 5.101309 5.730007 2.096230 6.170928 5.290274 4.445853 7.386284 3.492048 4.633179 2.703938 4.957647 5.282634 5.252174 4.966145 6.665838 5.968297 6.649211 7.264716 6.665614 5.958984 4.599052 3.961522 2.714902 4.933308 4.004809 1.091131 7.259248 3.936828 5.394880 6.958321 6.101911 7.357102 8.342673 6.897156 6.124340 5.166614 5.617193 4.507135 1.779481 0.000000 8.590665 5.183833 4.066727 6.375710 7.035921 2.019925 6.700054 5.704579 4.661136 7.862566 4.830279 5.896403 3.723518 5.893673 6.023535 5.106559 4.495735 6.960048 5.592337 6.459111 7.282798 7.372635 6.013495 5.920848 5.054316 3.242207 5.575724 4.368154 1.087344 7.954927 3.515769 4.577678 6.526945 5.520717 6.977987 8.323715 6.939771 6.376626 5.362931 6.862463 4.540871 1.789455 1.786048 0.000000 10.782055 8.350834 8.812153 9.011055 6.560037 6.194914 2.091997 8.549816 7.814420 10.148115 6.667874 4.532775 4.922449 2.658499 8.810498 8.045033 7.574711 9.429538 6.929969 8.989059 9.639330 9.796024 5.621352 5.922940 3.921673 4.938415 2.700540 4.012106 7.257804 1.091197 7.051471 8.528477 7.716373 6.943116 9.348451 10.458358 5.431873 5.879298 4.834223 4.152592 4.515626 7.446130 7.232407 8.147017 0.000000 10.464923 8.293653 8.772823 9.114563 6.448661 6.189951 2.091665 7.911808 7.147188 9.434144 6.690709 4.515791 4.931816 2.659915 8.407955 7.125709 6.627311 8.612433 5.717360 7.892479 8.601715 9.311046 4.353148 5.878799 3.923943 4.940717 2.702370 4.009203 7.275303 1.091374 6.326134 7.572683 6.356188 5.759170 8.109683 9.331666 3.927641 4.656319 3.805310 4.093754 4.508609 7.265225 7.479762 8.150117 1.780018 0.000000 12.041700 9.591553 9.922823 10.410454 7.951255 6.695977 2.015241 9.421015 8.542596 11.082070 7.942449 5.869725 5.876693 3.731024 9.898434 8.513102 7.801990 10.218781 6.893150 9.380159 10.195643 10.896438 5.717877 7.273617 5.060065 5.565446 3.240869 4.350188 7.949918 1.087937 7.380176 8.647959 7.593961 6.685912 9.542461 10.961929 5.260817 6.216961 5.062016 5.547198 4.496639 8.160479 8.127496 8.715148 1.790949 1.791311 0.000000 5.686922 2.312233 2.485891 3.411822 3.162562 3.372632 5.755309 3.454110 2.943443 5.390507 1.029629 2.435668 1.797349 3.780278 3.294416 4.042135 4.346517 4.806015 5.178362 5.284370 5.605694 4.633872 4.729863 2.048105 2.454757 2.956768 4.427106 4.170936 2.871160 6.441094 3.613353 5.158517 6.038705 5.724655 6.170795 6.654884 5.689229 4.468024 4.089697 3.436206 5.105767 2.431779 2.602881 3.898598 6.327199 6.347870 7.476223 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1566,-1.0667,-.9688;2.0901,-1.5647,.9198;1.8083,-1.2159,2.3074;2.9207,-2.6962,.5743;1.0614,-1.9164,-1.9719;-2.7864,-.1962,2.7026;-5.5701,-.5134,-1.0471;2.0902,1.0629,.0785;.8801,1.3349,.6038;4.0219,1.3453,-1.0406;.5415,-1.735,.2681;-1.1153,-1.6251,-1.3777;-1.9527,-.9601,.6999;-3.3467,-1.0968,-1.2247;2.7384,-.1559,.0822;.4696,2.5789,.4661;-.8862,2.9069,1.0403;2.9111,1.9483,-.6183;-1.8864,3.4377,-.0056;1.241,3.5823,-.1954;2.4558,3.272,-.7441;3.9216,.0723,-.6252;-2.1949,2.426,-1.1108;.2526,-1.7689,-1.0842;-2.1799,-1.2162,-.5889;-2.9844,-.5053,1.419;-4.367,-.66,-.4813;-4.2499,-.3289,.8706;-1.4829,-.4559,3.2753;-5.7108,-.8405,-2.4418;-1.2859,2.0072,1.5112;-.7558,3.6558,1.8299;-1.5056,4.366,-.4451;-2.8096,3.7062,.5173;.8473,4.5884,-.259;3.0736,3.9933,-1.2625;-2.9052,2.836,-1.8328;-1.2922,2.1377,-1.6571;-2.6332,1.5198,-.6906;-1.3251,-1.7299,-2.3609;-5.0858,.0334,1.4484;-.6984,.0875,2.747;-1.26,-1.5238,3.2521;-1.558,-.1113,4.3038;-5.4665,-1.889,-2.6198;-5.0628,-.2105,-3.0535;-6.757,-.6481,-2.6701;-.2146,-1.3841,.8725; 0.2281879 0.1008202 0.0900336 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= 784 RedAO= T EigKep= 1.05D-06 NBF= 784 NBsUse= 783 1.00D-06 EigRej= 7.51D-07 NBFU= 783 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= 796 794 795 796 796 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2238.73919784657 -2238.73919784649 0.000000000077 -2238.73919785 2 2.231834340973e+03 -1.244888699181e+04 4.384604189709e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414237204 LenY= 1413573794 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= 48. Will process 49 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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. 14858 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 75.14% of shell-pairs survive, threshold= 0.20 IRatSp=75. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 7.85D-14 1.00D-09 XBig12= 3.74D+02 5.86D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 7.85D-14 1.00D-09 XBig12= 9.87D+01 2.26D+00. 144 vectors produced by pass 2 Test12= 7.85D-14 1.00D-09 XBig12= 1.14D+00 7.11D-02. 144 vectors produced by pass 3 Test12= 7.85D-14 1.00D-09 XBig12= 8.11D-03 7.18D-03. 144 vectors produced by pass 4 Test12= 7.85D-14 1.00D-09 XBig12= 2.87D-05 2.98D-04. 133 vectors produced by pass 5 Test12= 7.85D-14 1.00D-09 XBig12= 6.17D-08 1.23D-05. 66 vectors produced by pass 6 Test12= 7.85D-14 1.00D-09 XBig12= 9.37D-11 5.01D-07. 4 vectors produced by pass 7 Test12= 7.85D-14 1.00D-09 XBig12= 1.28D-13 2.51D-08. 1 vectors produced by pass 8 Test12= 7.85D-14 1.00D-09 XBig12= 1.75D-16 1.05D-09. InvSVY: IOpt=1 It= 1 EMax= 3.73D-14 Solved reduced A of dimension 924 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 293.01 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 361.300 -37.770 270.892 -11.365 4.759 246.849 514.858 -81.387 435.942 -48.018 12.133 414.968 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT221900.500S Mon Sep 9 17:42:41 2024 -101.56341 -89.09290 -19.18972 -19.18964 -19.13243 -19.13204 -19.11749 -14.45625 -14.39001 -14.38085 -14.36492 -14.34165 -14.33705 -14.33435 -10.33705 -10.32058 -10.30804 -10.30630 -10.28773 -10.27786 -10.25902 -10.25648 -10.24295 -10.23761 -10.23479 -10.22463 -10.20281 -10.19749 -10.19577 -10.17752 -9.47808 -8.15248 -7.24318 -7.23290 -7.23195 -6.11574 -6.11443 -6.11417 -1.14512 -1.11754 -1.11216 -1.11043 -1.08785 -1.03450 -1.03005 -1.00471 -0.96011 -0.93609 -0.91774 -0.90282 -0.88220 -0.83974 -0.82516 -0.82070 -0.78312 -0.76230 -0.73881 -0.72490 -0.71832 -0.70351 -0.68193 -0.67862 -0.65311 -0.63760 -0.62655 -0.60432 -0.59681 -0.59010 -0.57797 -0.55731 -0.54429 -0.54083 -0.53202 -0.52450 -0.51834 -0.51532 -0.51031 -0.50277 -0.49715 -0.49549 -0.47951 -0.47825 -0.47219 -0.46806 -0.46386 -0.46020 -0.45220 -0.44536 -0.44442 -0.43909 -0.43018 -0.41636 -0.41157 -0.39197 -0.38828 -0.38530 -0.38049 -0.37933 -0.37405 -0.36998 -0.36766 -0.36284 -0.35934 -0.35370 -0.34572 -0.34231 -0.33944 -0.32649 -0.31852 -0.31490 -0.31002 -0.30849 -0.30510 -0.30132 -0.29878 -0.27915 -0.26110 -0.25763 -0.09075 -0.05693 -0.04886 -0.03924 -0.01798 -0.00944 -0.00528 0.00199 0.00446 0.01004 0.01281 0.01443 0.01533 0.02139 0.02494 0.02668 0.03125 0.03607 0.03711 0.04468 0.04555 0.04846 0.04964 0.05505 0.05709 0.06108 0.06600 0.06785 0.07057 0.07223 0.07324 0.07965 0.08086 0.08385 0.08646 0.08877 0.09480 0.09683 0.09799 0.09914 0.10162 0.10289 0.10571 0.11080 0.11206 0.11480 0.11824 0.12021 0.12128 0.12373 0.12664 0.13059 0.13149 0.13389 0.13668 0.13849 0.14157 0.14415 0.14597 0.14843 0.14971 0.15240 0.15425 0.15611 0.16279 0.16333 0.16613 0.16941 0.17093 0.17251 0.17465 0.17835 0.17897 0.18484 0.18587 0.18815 0.18959 0.19401 0.19639 0.19764 0.20007 0.20074 0.20250 0.20495 0.20929 0.21054 0.21229 0.21347 0.21421 0.22035 0.22260 0.22514 0.22928 0.23047 0.23472 0.23722 0.23949 0.24062 0.24132 0.24459 0.24526 0.24785 0.25238 0.25353 0.25812 0.25881 0.26355 0.26562 0.26806 0.27238 0.27323 0.27753 0.27957 0.28086 0.28490 0.28762 0.28887 0.29251 0.29607 0.29766 0.30048 0.30362 0.30635 0.30961 0.31094 0.31238 0.31732 0.31899 0.32213 0.32390 0.32779 0.32881 0.33189 0.33817 0.34013 0.34191 0.34684 0.34990 0.35244 0.35585 0.35964 0.36258 0.36524 0.36729 0.37145 0.37602 0.37968 0.38211 0.38453 0.38766 0.38982 0.39157 0.39347 0.40096 0.40216 0.40303 0.40864 0.41654 0.41915 0.42628 0.43031 0.43298 0.43653 0.44211 0.44476 0.44744 0.45424 0.45518 0.46314 0.46476 0.46766 0.47618 0.47765 0.48291 0.48862 0.49049 0.49840 0.50114 0.50310 0.50737 0.51589 0.51638 0.52174 0.52767 0.53336 0.53583 0.53726 0.54568 0.55043 0.55359 0.56097 0.56479 0.57659 0.57889 0.58657 0.59093 0.59415 0.60155 0.60867 0.61881 0.62013 0.62167 0.62749 0.63720 0.63986 0.64273 0.64597 0.65333 0.65467 0.66062 0.66894 0.67345 0.67713 0.68296 0.68587 0.68933 0.69995 0.70426 0.71063 0.71581 0.72416 0.72709 0.72994 0.73299 0.73619 0.74025 0.74117 0.74675 0.75263 0.75889 0.75999 0.76311 0.76810 0.77718 0.77862 0.78227 0.78650 0.78867 0.81527 0.81668 0.82039 0.82837 0.84100 0.84250 0.84791 0.85477 0.85727 0.86272 0.86476 0.87653 0.88540 0.89204 0.89566 0.89727 0.90365 0.90913 0.91490 0.92503 0.92923 0.93458 0.93710 0.93862 0.94685 0.95023 0.95497 0.95915 0.97311 0.97823 0.98053 0.98675 0.99448 0.99947 1.00389 1.00739 1.01230 1.01376 1.01633 1.01918 1.02597 1.03094 1.03408 1.04242 1.04732 1.05666 1.06046 1.06298 1.06952 1.08179 1.08610 1.09342 1.09581 1.10589 1.11108 1.11494 1.12781 1.13820 1.14547 1.15356 1.15542 1.16241 1.16955 1.17531 1.18446 1.18898 1.19405 1.19815 1.20904 1.21450 1.21832 1.22441 1.23210 1.24052 1.24484 1.25026 1.25466 1.26081 1.27693 1.28167 1.28767 1.28823 1.29559 1.30598 1.31516 1.31796 1.32123 1.32794 1.33593 1.34356 1.34872 1.35769 1.36255 1.36766 1.36966 1.38167 1.38722 1.40882 1.42441 1.42814 1.43476 1.44380 1.45800 1.46879 1.48214 1.49138 1.50220 1.51126 1.51673 1.51934 1.52900 1.53253 1.53627 1.54732 1.55836 1.56507 1.57210 1.57958 1.58036 1.58509 1.60024 1.60455 1.61810 1.61954 1.62452 1.63212 1.63357 1.64181 1.64490 1.65394 1.65908 1.66716 1.67115 1.67525 1.68275 1.68911 1.69073 1.69858 1.70340 1.71186 1.71478 1.71782 1.72443 1.72776 1.73526 1.74271 1.75352 1.76168 1.77307 1.77417 1.78406 1.79013 1.79381 1.79787 1.80412 1.81825 1.82322 1.82971 1.83478 1.85158 1.87074 1.87885 1.88683 1.89872 1.90747 1.91330 1.92554 1.93008 1.93755 1.94543 1.95652 1.96382 1.98016 1.98387 1.98682 2.00082 2.00836 2.01678 2.02529 2.04254 2.05753 2.06922 2.07693 2.08313 2.08987 2.09589 2.11508 2.11999 2.12311 2.12963 2.13131 2.14277 2.15093 2.16668 2.17525 2.17844 2.19177 2.20482 2.21234 2.22225 2.23702 2.24147 2.25253 2.26187 2.28075 2.30526 2.31728 2.32767 2.34258 2.34783 2.35773 2.36241 2.38271 2.39924 2.40483 2.41632 2.42256 2.42926 2.43162 2.44698 2.45045 2.46201 2.47831 2.48749 2.50453 2.51010 2.51279 2.51796 2.52717 2.52940 2.53157 2.54277 2.55547 2.56180 2.57183 2.57696 2.59047 2.59687 2.60341 2.61880 2.62086 2.65050 2.66036 2.66948 2.67095 2.67383 2.68452 2.69535 2.70230 2.71185 2.72041 2.72819 2.73565 2.74009 2.75618 2.76116 2.76526 2.77553 2.78377 2.78740 2.79615 2.80393 2.80647 2.81291 2.81759 2.82464 2.82823 2.84001 2.84618 2.84864 2.85311 2.86237 2.86643 2.87511 2.88102 2.88933 2.89714 2.90408 2.90916 2.91805 2.92815 2.93476 2.94387 2.95209 2.95931 2.97049 2.98389 2.98785 2.99912 3.00605 3.01549 3.02261 3.04125 3.04328 3.04618 3.05742 3.06393 3.07439 3.11905 3.12402 3.14045 3.14297 3.16872 3.19497 3.20897 3.21429 3.23051 3.23823 3.28250 3.29156 3.31061 3.34387 3.36568 3.37682 3.38048 3.40342 3.41244 3.41803 3.43099 3.46967 3.49749 3.50902 3.52678 3.55634 3.56548 3.59319 3.60502 3.62275 3.68861 3.69046 3.72256 3.75703 3.77503 3.78448 3.79730 3.81063 3.81344 3.81872 3.83462 3.86049 3.87997 3.88511 3.91932 3.94001 3.94547 3.95874 3.96496 3.97701 3.98870 3.99862 4.02228 4.06310 4.06884 4.07411 4.09253 4.16445 4.18223 4.24909 4.28151 4.31322 4.37181 4.38750 4.43519 4.50217 4.59783 4.67672 4.69009 4.73886 4.81667 4.96189 5.01850 5.04123 5.05190 5.09478 5.11113 5.12075 5.14756 5.18635 5.19652 5.23509 5.26856 5.31219 5.35475 5.36939 5.40891 5.51594 5.76232 5.82702 5.84101 8.23323 9.82102 17.36869 17.46594 17.59094 23.64785 23.73786 23.74602 23.83555 23.85551 23.89396 23.90192 23.91817 23.92480 23.93552 23.95717 23.96267 23.96922 24.00263 24.08603 24.13516 25.87640 26.18262 26.76895 35.47068 35.54207 35.58968 35.60592 35.68784 35.69555 35.72338 49.89032 49.94004 49.94858 49.96964 50.03317 189.34846 215.81804 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.581588 0.678846 -0.159474 0.047876 -0.205269 -0.134716 -0.119855 0.671526 -0.219390 0.083149 -0.380917 -0.343902 -0.170420 -0.025507 -0.075032 0.178163 -0.183304 -0.355986 -0.295340 -0.441300 -0.385498 -0.857908 -0.455911 0.203198 -0.275002 0.399574 0.113809 -0.614674 -0.257386 -0.209416 0.148534 0.166454 0.125133 0.154176 0.141558 0.153565 0.147917 0.142032 0.118941 0.334302 0.142971 0.186429 0.176120 0.164731 0.165158 0.164269 0.164749 0.411439 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 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 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C 0.581588 0.678846 -0.159474 0.047876 -0.205269 -0.134716 -0.119855 0.671526 -0.219390 0.083149 0.030522 -0.009601 -0.170420 -0.025507 -0.075032 0.178163 0.131685 -0.355986 -0.016030 -0.299743 -0.231933 -0.857908 -0.047021 0.203198 -0.275002 0.399574 0.113809 -0.471702 0.269895 0.284759 -0.00000 -2.98417323e+00 2.52797357e+00 -2.27527814e-01 3.61300236e+02 -3.77704948e+01 2.70891914e+02 -1.13648014e+01 4.75897311e+00 2.46849188e+02 -2.5600 -0.0020 -0.0010 0.0011 1.2858 3.0608 19.6595 24.1389 31.0077 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.6509 24.1353 31.0049 43.8837 55.9094 63.0640 75.3073 82.7130 95.9534 97.2725 105.3647 121.0980 140.2997 148.6333 154.5831 166.6903 180.9507 186.7653 204.7743 208.3325 223.6749 226.9069 243.5322 251.2160 256.1853 266.5243 274.4854 307.5076 333.6114 348.9482 352.1019 362.8011 372.5214 388.0493 395.1180 427.7258 443.3041 471.5353 497.4291 520.5576 552.1259 575.5776 601.8922 614.7192 628.2030 631.3643 652.1361 665.5867 680.0076 696.1503 700.1730 708.1615 733.5182 748.6698 753.1024 759.8060 776.5981 794.2973 814.8456 828.9698 842.1628 850.6287 875.0029 878.6618 909.7489 933.8389 989.8058 995.7651 998.2313 1009.5931 1025.9286 1037.6689 1052.7038 1074.9221 1097.1515 1109.2961 1117.6029 1121.0656 1156.3664 1160.4632 1172.3914 1187.2507 1208.6043 1215.9355 1221.0709 1238.2507 1249.5415 1266.4967 1291.2207 1310.3819 1322.7102 1324.8315 1335.8314 1364.1947 1374.3143 1377.4326 1396.4251 1405.5158 1406.6048 1421.4616 1445.1629 1448.8020 1479.2770 1483.5699 1486.4285 1489.8375 1495.0849 1495.7156 1497.2977 1500.8001 1503.2251 1507.7028 1513.5779 1532.8706 1540.0513 1578.2200 1607.5860 1635.0895 1654.3467 1786.9781 3020.4850 3029.1689 3034.7452 3043.4147 3047.9524 3055.6591 3091.5979 3101.7124 3117.1078 3126.3797 3128.7060 3151.5928 3159.0164 3195.2176 3214.6109 3240.3664 3259.0491 3616.5682 5.3978 6.6706 6.6716 4.8210 6.5587 6.7474 4.0918 3.3537 4.5022 4.5205 5.9175 6.3150 3.2267 3.2636 5.7199 3.6666 1.5187 3.7412 2.9641 3.4526 2.2754 5.0267 2.8580 6.1712 5.8898 1.7998 3.1132 4.6704 4.7615 4.4752 7.7502 6.9911 5.5679 4.2732 4.1493 8.6986 5.5550 5.1026 9.9039 6.9613 5.0687 10.5430 3.3768 1.3460 6.2411 5.8517 5.4243 3.9268 9.9320 3.2680 4.7215 7.4679 1.7088 3.7336 7.4099 4.1183 4.7481 2.7245 1.6176 2.4784 1.8532 4.5939 2.3911 4.0266 1.6546 6.7900 1.2929 6.9671 3.3945 9.2242 7.1902 3.3702 2.9674 2.1193 1.7502 2.2052 3.0925 5.3558 1.4407 1.2706 1.2676 1.6784 3.4479 2.3552 1.7563 2.9882 1.4081 3.3425 1.2986 4.1437 7.5835 6.0876 14.0915 1.5562 2.3634 1.4187 2.9603 5.1824 2.5476 1.2775 2.0739 5.6808 1.1524 1.6699 1.0442 1.3831 1.1267 1.0525 1.0810 2.7339 1.0562 1.2042 1.2613 2.6230 1.9451 4.9745 8.4686 6.5168 7.8693 8.0314 1.0643 1.0645 1.0420 1.0298 1.0304 1.0989 1.1011 1.0944 1.1073 1.1078 1.0963 1.1062 1.1063 1.0891 1.0968 1.0941 1.0804 1.0771 0.0012 0.0023 0.0038 0.0055 0.0121 0.0158 0.0137 0.0135 0.0244 0.0252 0.0387 0.0546 0.0374 0.0425 0.0805 0.0600 0.0293 0.0769 0.0732 0.0883 0.0671 0.1525 0.0999 0.2295 0.2278 0.0753 0.1382 0.2602 0.3122 0.3211 0.5661 0.5422 0.4552 0.3791 0.3817 0.9376 0.6432 0.6684 1.4438 1.1114 0.9104 2.0579 0.7208 0.2997 1.4512 1.3743 1.3592 1.0249 2.7059 0.9331 1.3638 2.2065 0.5417 1.2330 2.4761 1.4008 1.6872 1.0127 0.6328 1.0035 0.7744 1.9584 1.0786 1.8316 0.8069 3.4887 0.7463 4.0702 1.9929 5.5395 4.4589 2.1381 1.9375 1.4428 1.2413 1.5988 2.2758 3.9658 1.1351 1.0082 1.0266 1.3939 2.9674 2.0516 1.5429 2.6994 1.2954 3.1589 1.2756 4.1922 7.8172 6.2953 14.8153 1.7064 2.6300 1.5859 3.4011 6.0319 2.9698 1.5209 2.5519 7.0255 1.4858 2.1655 1.3593 1.8087 1.4839 1.3873 1.4279 3.6282 1.4062 1.6128 1.7025 3.6313 2.7181 7.3002 12.8946 10.2652 12.6894 15.1106 5.7211 5.7550 5.6541 5.6199 5.6397 6.0452 6.2010 6.2036 6.3388 6.3796 6.3229 6.4735 6.5048 6.5514 6.6778 6.7686 6.7609 8.3003 0.1673 0.1436 0.1692 0.3020 0.4827 0.7133 0.1967 1.8966 0.6922 4.0318 0.1374 0.2731 0.6053 0.2363 2.0402 0.4798 0.6927 1.8485 2.8887 7.8154 0.4212 7.6056 0.7358 1.3180 2.3779 2.2596 3.5292 0.5594 4.7703 1.4787 0.9233 3.1941 1.3612 6.9750 6.9389 1.4358 3.0866 9.3827 103.4936 16.1749 0.1385 104.2414 33.9749 82.3900 31.5842 14.0703 7.3081 5.2980 2.1980 5.2694 15.5095 0.9511 62.1938 0.5230 52.3180 9.9697 20.2138 11.3338 9.7946 71.1034 16.3911 13.3323 1.9206 70.0879 0.6933 17.0977 0.2793 35.4734 7.3105 7.0865 33.9644 13.1758 14.9325 6.2737 1.7607 17.3085 38.2133 214.2479 25.8339 4.1330 0.4807 136.2957 65.1842 115.6551 53.1024 510.9356 3.3598 11.2890 1.5003 3.2895 27.2626 120.5723 345.8637 29.2656 76.2990 7.6996 36.7919 54.7096 459.4135 9.3579 25.1694 205.5485 10.6006 161.8991 10.1918 105.3840 7.4186 14.3504 8.9387 16.3924 4.9132 8.6932 37.6306 56.0573 338.1183 49.3277 411.5729 764.0796 16.5300 453.2062 14.7267 36.8018 5.7614 37.9861 17.1107 19.6733 38.9365 9.7400 19.1410 8.8849 16.2838 18.9313 17.4464 0.9354 0.2846 0.4799 681.9217 72.9747 -0.00 0.06 -0.02 0.03 -0.03 0.01 0.03 -0.02 0.01 0.06 -0.01 0.02 0.02 -0.14 0.03 0.08 0.08 -0.01 0.08 0.16 -0.03 -0.06 -0.03 -0.00 -0.07 -0.07 0.00 -0.08 0.02 -0.02 0.03 -0.08 0.03 0.02 -0.10 0.03 0.04 -0.01 0.01 0.05 0.03 0.00 -0.02 -0.02 -0.00 -0.10 -0.08 0.00 -0.11 -0.13 0.01 -0.09 -0.01 -0.01 -0.10 -0.04 0.06 -0.14 -0.06 0.00 -0.13 -0.02 -0.01 -0.04 0.02 -0.01 -0.01 0.10 -0.10 0.02 -0.11 0.03 0.04 -0.03 0.01 0.07 0.06 -0.01 0.07 0.10 -0.01 0.08 0.12 -0.02 0.05 0.01 0.01 0.08 0.15 -0.02 -0.12 -0.17 -0.07 -0.12 -0.20 0.08 -0.15 0.05 0.20 -0.14 -0.17 0.07 -0.17 -0.07 0.00 -0.16 -0.01 -0.01 -0.05 0.15 -0.04 0.02 0.27 -0.14 0.07 -0.00 -0.24 0.02 -0.11 0.03 0.10 0.19 -0.03 0.09 -0.05 0.00 -0.02 -0.00 0.03 0.06 0.04 -0.00 0.02 0.14 -0.01 0.12 0.11 -0.02 0.09 0.21 -0.04 0.03 -0.06 0.02 0.09 0.06 0.13 -0.01 -0.04 -0.08 0.00 -0.09 -0.07 -0.03 -0.03 -0.13 -0.08 0.01 -0.08 0.08 0.08 0.01 -0.05 -0.00 0.11 -0.00 -0.01 0.00 -0.04 -0.04 -0.06 0.08 0.06 0.16 -0.02 -0.01 -0.07 -0.06 -0.01 -0.02 0.01 0.03 -0.00 -0.06 -0.01 0.05 -0.00 -0.01 -0.02 -0.04 -0.04 -0.03 -0.08 -0.07 -0.11 0.04 0.03 0.11 -0.01 -0.06 -0.17 0.01 -0.00 0.07 0.05 0.03 0.14 0.05 0.03 0.08 0.06 -0.05 -0.21 -0.05 0.00 -0.06 -0.04 0.00 0.01 0.03 0.05 0.02 -0.03 0.01 0.07 0.02 0.05 0.06 0.10 0.07 -0.03 -0.11 -0.05 0.13 -0.10 -0.08 -0.16 -0.14 -0.08 -0.09 0.01 -0.05 -0.14 -0.05 -0.07 -0.23 0.00 0.00 0.09 0.08 0.06 0.22 0.12 -0.03 -0.26 0.10 -0.05 -0.14 0.02 -0.05 -0.25 -0.09 -0.01 -0.01 0.04 0.07 0.08 0.09 0.04 -0.07 0.08 0.06 -0.02 0.13 0.09 -0.03 -0.12 -0.05 0.16 -0.13 -0.07 0.08 -0.12 -0.05 0.16 -0.01 -0.00 -0.05 0.08 -0.00 0.14 0.01 -0.01 0.01 0.00 -0.04 0.02 0.00 -0.02 0.01 0.03 0.20 -0.01 -0.02 -0.18 0.08 0.01 0.05 0.05 -0.01 -0.03 -0.05 -0.01 -0.03 -0.06 0.00 -0.04 -0.03 0.01 0.01 -0.00 0.03 0.16 -0.01 0.01 -0.00 0.03 0.02 0.10 0.02 0.03 -0.01 0.03 -0.04 -0.05 -0.13 -0.03 -0.05 -0.09 -0.02 -0.05 -0.09 -0.05 0.00 -0.04 -0.07 -0.07 -0.19 -0.06 -0.07 -0.17 0.03 -0.02 0.04 -0.13 0.04 -0.05 0.02 0.13 -0.01 0.02 0.08 0.01 -0.01 -0.08 0.06 0.00 0.02 0.04 -0.01 -0.07 0.07 -0.00 -0.14 0.06 0.03 0.18 0.02 -0.03 -0.06 -0.11 0.00 -0.08 -0.07 -0.04 0.00 -0.04 -0.02 0.02 -0.00 -0.10 -0.09 -0.25 -0.08 -0.08 -0.21 -0.13 0.08 -0.02 -0.15 0.01 -0.08 -0.15 0.05 -0.05 0.03 0.22 -0.02 -0.02 -0.13 0.09 -0.04 -0.06 0.09 0.06 -0.13 -0.02 -0.02 -0.22 0.08 0.04 0.20 -0.08 0.02 0.25 0.08 0.02 0.19 0.02 0.01 -0.02 0.01 -0.03 0.01 -0.05 -0.00 0.04 0.00 0.01 0.08 -0.01 0.01 0.04 0.03 -0.03 -0.07 0.02 -0.04 -0.14 0.06 0.02 0.11 -0.00 0.00 0.04 -0.01 -0.00 0.04 -0.03 0.02 0.04 0.02 -0.00 -0.00 0.02 -0.03 -0.10 0.04 -0.03 -0.11 0.05 -0.01 -0.02 0.03 -0.02 0.03 -0.04 0.02 0.05 -0.01 -0.01 0.05 -0.07 0.03 0.04 0.02 0.03 -0.06 -0.16 0.05 0.06 0.05 0.06 0.06 0.06 -0.01 0.03 -0.02 0.09 -0.16 -0.08 -0.02 -0.06 0.03 -0.03 -0.08 0.04 -0.03 -0.10 0.05 -0.00 0.01 0.02 -0.01 -0.04 0.03 -0.03 -0.12 0.05 0.05 0.24 -0.04 0.00 0.07 -0.02 -0.06 0.11 -0.12 0.03 -0.09 -0.22 -0.00 -0.03 -0.22 0.07 0.07 0.07 0.08 0.06 0.09 0.12 -0.24 -0.15 0.12 -0.20 -0.01 0.09 -0.13 -0.02 -0.03 -0.09 0.04 -0.01 -0.01 0.03 -0.05 -0.08 0.06 0.00 -0.11 0.01 -0.04 -0.16 0.06 -0.01 0.24 -0.12 0.11 0.25 0.04 0.07 0.33 -0.06 -0.01 -0.03 0.03 -0.11 -0.06 -0.17 0.01 -0.02 0.05 0.00 -0.03 0.05 0.01 -0.01 0.05 0.08 0.26 0.03 -0.01 0.00 0.02 0.01 -0.04 0.01 0.00 -0.01 0.08 -0.01 -0.03 0.06 -0.05 -0.02 -0.01 0.01 -0.01 0.04 0.06 0.14 0.00 0.02 0.05 0.02 0.03 0.04 0.01 0.00 -0.01 0.06 -0.03 -0.04 0.04 -0.08 -0.08 -0.05 -0.02 -0.01 0.05 -0.00 -0.08 -0.14 -0.03 -0.03 0.07 -0.03 -0.01 0.07 -0.04 -0.02 -0.02 0.17 -0.04 -0.23 0.05 0.14 0.02 0.04 0.07 0.01 0.01 0.02 0.01 0.02 0.00 0.01 0.01 0.01 0.01 -0.02 0.01 0.03 0.02 -0.08 0.01 -0.10 -0.10 -0.11 -0.17 -0.10 -0.03 -0.00 -0.04 -0.04 -0.07 -0.16 -0.22 -0.04 -0.03 0.07 -0.03 -0.01 0.07 0.24 -0.03 -0.29 0.25 0.03 -0.14 0.16 -0.08 -0.33 0.08 0.20 -0.01 -0.01 -0.02 0.01 -0.01 0.02 0.04 -0.01 0.01 0.03 -0.03 0.00 0.03 0.07 -0.07 0.04 -0.01 -0.07 -0.00 0.01 -0.13 0.01 0.01 -0.03 0.04 -0.10 -0.05 0.04 -0.08 0.01 0.04 -0.21 0.04 0.01 0.00 0.04 0.15 0.06 0.04 -0.08 0.21 -0.04 -0.04 0.03 0.01 0.08 -0.05 0.02 0.03 -0.05 0.05 0.03 -0.05 -0.03 0.02 -0.01 -0.07 -0.08 0.03 -0.01 -0.10 0.09 -0.05 -0.08 0.02 -0.00 -0.03 -0.07 0.01 0.05 -0.02 0.06 0.01 -0.02 0.11 -0.01 -0.04 -0.01 0.02 -0.01 0.04 -0.04 0.00 0.03 -0.00 -0.01 0.00 0.00 -0.07 -0.02 0.04 -0.04 -0.05 0.05 0.04 -0.01 -0.09 0.05 -0.03 -0.08 0.13 -0.04 -0.03 0.06 -0.02 0.02 0.11 -0.04 0.03 0.27 0.00 -0.14 -0.03 0.06 0.07 -0.03 0.14 0.06 -0.01 0.16 -0.06 0.01 -0.01 -0.13 0.00 0.12 -0.06 0.02 0.04 -0.01 0.01 -0.02 -0.01 -0.03 -0.09 0.01 -0.06 -0.12 0.07 -0.07 0.01 0.13 0.03 0.01 -0.11 0.13 -0.04 0.06 0.21 -0.01 -0.22 0.28 0.00 -0.12 0.34 0.03 -0.14 -0.04 0.07 0.02 -0.05 0.08 0.07 -0.04 0.08 0.13 -0.06 -0.11 -0.11 -0.01 -0.02 -0.02 -0.02 0.02 0.01 -0.03 0.10 -0.01 0.00 0.02 0.08 -0.01 -0.15 0.01 -0.01 -0.12 0.03 -0.01 -0.03 0.03 -0.00 0.00 -0.03 -0.02 -0.00 -0.07 0.03 0.01 0.03 -0.01 -0.02 0.00 0.01 0.04 -0.02 0.01 0.02 -0.01 0.01 0.05 -0.01 -0.02 -0.01 -0.05 0.00 0.01 -0.03 -0.01 -0.01 -0.04 0.03 0.01 0.02 0.03 0.14 -0.00 0.04 0.02 0.03 0.05 0.02 0.06 0.00 -0.00 -0.01 0.02 0.28 -0.12 -0.00 -0.05 0.00 0.01 0.04 -0.01 0.00 -0.03 0.01 0.01 0.01 0.01 0.01 -0.02 0.02 -0.02 -0.17 0.03 -0.04 -0.12 0.05 -0.04 -0.05 -0.15 -0.00 -0.10 0.05 0.06 0.18 0.11 0.03 0.11 0.01 0.06 0.03 0.06 0.08 0.04 0.10 0.02 0.37 -0.07 0.01 0.34 -0.16 0.01 0.22 -0.24 0.01 0.02 -0.01 -0.01 -0.07 0.03 -0.01 -0.11 0.10 -0.01 -0.17 -0.07 -0.04 -0.27 0.06 -0.01 -0.12 0.11 -0.08 -0.14 -0.01 -0.05 -0.17 0.07 -0.01 0.02 -0.02 0.02 0.01 0.06 -0.02 0.02 0.00 -0.04 0.00 0.00 -0.02 0.02 0.00 -0.02 0.07 -0.03 0.02 -0.02 -0.01 -0.00 0.08 -0.00 0.01 0.02 0.01 0.04 0.04 0.06 -0.03 -0.01 -0.06 -0.01 0.04 -0.03 -0.03 -0.08 -0.00 -0.02 -0.06 -0.01 -0.03 -0.02 -0.00 0.01 0.02 0.03 0.03 0.03 0.03 0.04 0.02 0.07 -0.02 -0.00 -0.06 0.01 -0.05 0.06 -0.02 0.00 -0.05 -0.04 -0.01 -0.10 -0.00 0.01 -0.00 0.22 -0.01 -0.03 -0.02 0.02 -0.02 -0.03 -0.06 -0.01 0.01 0.01 -0.01 -0.00 0.05 -0.01 0.02 0.10 -0.03 -0.02 -0.15 0.01 -0.07 -0.10 0.05 0.08 0.03 0.11 0.04 0.05 0.04 -0.10 0.04 0.15 -0.05 -0.22 0.04 -0.03 -0.00 -0.09 -0.07 -0.03 -0.17 0.13 -0.09 0.01 0.27 0.23 -0.06 0.41 -0.14 -0.12 -0.03 -0.06 -0.01 0.04 0.16 -0.03 0.04 -0.18 0.05 -0.10 -0.17 -0.05 -0.01 -0.20 0.02 -0.14 -0.14 0.19 -0.05 -0.23 -0.06 -0.07 -0.07 0.06 -0.02 -0.02 -0.02 -0.00 -0.02 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.21 -0.01 -0.01 0.02 -0.01 -0.01 -0.06 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.03 0.00 -0.04 -0.16 0.04 -0.04 -0.13 0.03 -0.03 -0.13 0.03 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.02 0.01 0.00 0.01 -0.00 0.00 0.02 0.11 0.05 0.02 0.01 0.00 0.02 0.00 0.01 0.00 -0.01 -0.00 0.06 0.23 -0.07 -0.01 0.02 0.01 -0.04 -0.15 0.04 -0.02 -0.07 0.01 -0.03 -0.10 0.02 -0.02 -0.08 0.01 0.03 0.15 -0.03 0.03 0.10 -0.04 -0.01 -0.02 -0.06 0.04 -0.05 0.06 0.00 0.17 0.16 0.01 0.03 0.08 0.03 0.01 0.01 0.03 0.00 0.02 -0.01 0.27 0.02 0.06 0.39 -0.15 0.15 0.12 -0.19 -0.03 -0.11 0.03 -0.01 -0.03 -0.00 -0.02 0.12 -0.14 0.08 0.16 0.11 0.06 0.29 -0.08 0.02 0.12 -0.16 0.08 0.16 0.06 0.05 0.16 -0.06 -0.02 -0.12 0.04 0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.00 0.09 -0.02 0.04 0.01 0.08 0.02 0.22 -0.00 0.01 0.04 -0.01 0.04 0.13 -0.04 -0.01 -0.03 -0.07 -0.03 -0.05 -0.11 0.05 0.00 0.05 0.00 -0.08 0.01 -0.01 -0.09 0.03 -0.01 -0.07 0.03 0.00 -0.02 0.01 -0.02 -0.03 -0.08 -0.01 -0.03 -0.05 -0.01 -0.04 -0.04 0.03 -0.00 0.02 -0.02 -0.00 -0.01 0.04 -0.00 0.05 0.06 0.01 0.09 0.02 -0.01 -0.01 -0.19 -0.04 0.08 0.00 0.03 0.01 -0.01 -0.06 0.02 0.01 0.03 -0.01 0.02 0.08 -0.02 0.04 0.14 -0.04 -0.04 -0.09 0.03 -0.01 -0.13 0.02 -0.01 -0.04 -0.04 0.02 -0.05 -0.03 0.04 -0.07 -0.09 0.04 0.12 0.04 0.06 0.01 0.11 0.10 0.04 0.17 -0.18 -0.01 0.09 -0.25 -0.19 0.05 -0.28 0.04 0.17 -0.00 -0.01 0.02 0.06 0.23 -0.06 0.03 -0.17 0.06 -0.15 -0.11 0.05 -0.04 -0.08 0.03 -0.13 -0.19 0.23 0.04 -0.32 -0.11 0.00 -0.06 0.00 -0.01 -0.14 0.04 0.08 0.01 0.01 -0.03 0.06 0.01 -0.08 0.26 -0.05 -0.02 0.01 0.21 -0.01 0.01 -0.02 0.00 0.05 -0.02 -0.06 -0.08 0.04 0.01 -0.05 -0.11 0.01 -0.10 -0.09 0.03 -0.00 -0.04 -0.02 -0.00 -0.02 -0.01 0.08 -0.03 -0.01 0.06 -0.03 -0.03 0.01 -0.01 0.01 -0.04 -0.12 0.02 -0.09 0.03 0.02 -0.17 0.08 0.01 -0.02 -0.05 -0.02 -0.17 0.13 0.02 -0.04 0.09 0.01 -0.01 0.04 0.04 -0.01 -0.06 0.10 -0.09 0.02 -0.01 0.03 -0.02 -0.02 0.05 -0.03 -0.01 0.02 -0.01 -0.04 -0.04 0.01 -0.03 -0.05 0.01 0.01 0.05 -0.03 -0.04 0.11 -0.01 0.08 -0.21 0.04 0.01 -0.20 0.11 -0.12 -0.08 0.23 -0.06 -0.32 0.15 0.02 -0.04 0.18 0.00 0.03 0.10 0.06 -0.09 0.06 0.13 0.08 -0.01 0.20 -0.18 -0.08 -0.01 0.07 -0.03 -0.04 -0.09 0.03 0.02 0.01 -0.05 -0.02 0.05 0.02 0.02 0.10 -0.04 0.04 0.15 -0.17 -0.09 0.25 0.08 -0.05 0.06 0.02 -0.02 0.04 -0.04 0.01 0.04 0.12 0.00 -0.05 -0.04 0.05 -0.02 -0.04 0.07 -0.01 -0.04 0.02 0.04 0.02 -0.04 -0.04 0.04 0.04 -0.00 -0.03 -0.15 -0.05 -0.15 -0.12 -0.01 -0.09 -0.13 -0.04 -0.12 -0.01 -0.18 0.03 0.03 0.08 0.01 0.01 0.00 0.04 0.05 0.07 0.01 -0.13 -0.04 -0.13 -0.01 0.04 0.07 0.01 0.13 0.06 -0.13 -0.04 -0.13 0.08 0.07 -0.04 0.05 0.06 0.16 -0.02 0.00 0.03 -0.11 -0.03 -0.09 0.15 -0.02 0.02 0.01 -0.02 0.02 0.03 0.05 0.02 -0.00 -0.02 0.03 0.03 0.02 0.00 0.00 -0.02 0.01 -0.01 0.08 0.04 0.08 -0.07 -0.01 -0.03 0.18 0.12 0.02 0.19 -0.01 0.13 0.02 -0.09 0.05 0.12 -0.13 0.15 0.11 0.33 0.02 0.01 0.08 0.23 -0.07 -0.08 0.19 -0.10 0.13 0.09 0.03 0.07 0.03 0.14 0.00 -0.01 -0.05 0.01 -0.06 0.10 -0.02 0.06 0.09 0.10 -0.02 0.14 0.01 0.12 -0.07 0.04 0.06 -0.07 -0.03 0.07 -0.13 -0.04 0.00 -0.16 0.04 0.02 0.01 -0.03 0.00 0.00 0.01 0.00 0.02 0.01 -0.01 -0.01 0.02 -0.00 -0.03 0.02 -0.05 -0.17 0.03 0.02 0.17 -0.04 0.02 -0.01 0.01 0.02 -0.01 0.01 0.02 0.01 0.02 -0.00 0.02 0.01 0.00 0.03 -0.01 -0.03 -0.06 0.01 0.00 0.07 -0.03 0.02 -0.01 0.01 0.00 -0.02 -0.00 0.00 -0.03 0.00 0.01 -0.00 0.02 -0.01 -0.03 0.02 -0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.02 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.04 -0.10 0.02 -0.00 0.06 -0.02 -0.03 -0.05 0.01 0.07 0.20 -0.08 -0.06 -0.09 0.03 0.01 -0.04 -0.01 0.00 -0.04 0.02 -0.04 -0.01 0.04 -0.02 -0.06 0.04 -0.03 -0.03 -0.03 -0.01 -0.01 -0.01 -0.04 -0.03 0.03 0.00 0.05 -0.03 0.06 -0.04 -0.01 0.02 0.05 -0.01 -0.03 -0.07 0.01 -0.12 0.34 -0.22 0.34 0.26 0.01 0.10 0.29 -0.11 -0.27 -0.18 0.26 0.05 -0.36 -0.13 -0.03 0.06 0.00 -0.00 -0.00 0.01 -0.08 -0.07 0.03 -0.02 0.00 -0.05 -0.04 -0.00 -0.05 0.00 0.02 -0.04 -0.02 -0.02 -0.07 -0.02 0.00 0.05 0.05 -0.01 -0.02 -0.01 0.03 -0.03 -0.02 0.03 -0.06 0.06 0.02 0.09 -0.00 -0.03 -0.05 0.01 0.04 -0.00 0.03 0.01 0.05 0.04 0.02 0.04 -0.04 0.01 -0.03 -0.01 0.04 -0.07 0.01 0.02 0.00 0.05 0.03 0.04 -0.11 -0.07 0.08 -0.00 0.03 -0.07 0.04 0.03 0.00 0.00 0.01 0.04 0.02 -0.03 0.01 0.00 -0.01 -0.05 0.03 0.02 0.04 0.01 0.00 0.04 0.03 0.01 0.03 0.01 -0.00 0.03 -0.03 0.05 0.09 0.15 -0.05 -0.03 0.09 0.01 0.06 0.04 0.05 -0.03 -0.29 0.03 0.14 -0.14 -0.28 0.15 -0.02 0.02 -0.12 0.05 0.03 0.03 -0.22 -0.16 0.17 0.02 0.30 -0.16 0.36 -0.21 -0.03 -0.04 0.06 0.01 0.01 -0.01 0.03 -0.03 0.03 0.07 -0.01 0.05 0.14 -0.06 0.10 0.07 0.20 -0.05 0.02 0.18 -0.05 -0.00 0.16 -0.09 -0.10 0.00 -0.03 -0.04 -0.08 -0.08 0.06 0.02 0.02 -0.00 0.25 0.04 0.04 -0.10 -0.03 -0.13 0.09 0.03 0.20 0.07 -0.03 -0.05 -0.03 -0.01 0.01 -0.03 0.01 -0.07 -0.04 0.01 -0.09 0.02 0.01 0.03 -0.04 0.08 0.14 0.03 -0.00 0.01 -0.01 0.02 -0.06 -0.02 -0.01 -0.05 -0.05 0.01 -0.07 -0.02 0.03 -0.04 -0.01 0.01 0.00 0.01 0.02 -0.00 -0.09 -0.05 0.06 0.02 0.04 0.02 0.03 0.03 0.04 -0.02 0.00 -0.01 -0.00 -0.02 0.00 0.01 0.04 0.13 -0.01 0.00 -0.05 0.01 0.01 -0.04 -0.01 -0.01 -0.03 0.00 0.00 -0.03 0.11 -0.08 -0.15 -0.10 0.04 0.01 0.05 0.00 0.04 0.01 0.02 -0.02 -0.21 0.02 0.10 -0.11 -0.20 0.10 0.04 0.05 0.05 0.06 0.05 0.10 -0.18 -0.11 0.12 -0.00 0.22 -0.13 0.24 -0.15 -0.03 0.12 -0.02 -0.01 0.00 -0.01 -0.03 0.07 0.02 -0.12 0.14 -0.07 -0.30 0.17 -0.21 -0.10 -0.08 0.05 -0.04 -0.15 0.07 -0.00 -0.11 0.02 0.08 -0.04 0.14 0.11 -0.01 -0.03 0.04 -0.05 0.04 -0.02 -0.00 0.05 -0.01 -0.18 -0.04 -0.05 -0.02 -0.01 -0.02 0.05 -0.01 0.03 0.06 0.02 -0.05 0.01 -0.00 -0.00 0.02 -0.02 0.01 -0.04 -0.01 -0.09 -0.03 0.20 -0.03 -0.02 -0.02 0.00 0.02 0.03 0.02 0.01 -0.06 0.05 0.02 0.01 0.01 0.00 -0.03 0.05 -0.03 -0.07 0.01 -0.02 -0.01 -0.05 0.03 -0.00 -0.02 0.01 -0.00 0.09 -0.02 0.00 0.02 -0.01 -0.00 -0.04 -0.03 0.02 -0.02 -0.01 0.05 -0.02 0.01 -0.02 0.03 0.02 0.00 0.03 0.02 -0.02 0.03 0.01 -0.01 0.03 0.07 -0.02 -0.01 0.19 -0.05 -0.05 -0.05 -0.11 -0.08 -0.08 -0.13 0.06 0.12 -0.04 -0.01 0.04 0.08 -0.04 0.02 0.01 0.15 -0.04 0.02 0.03 0.12 0.13 -0.11 -0.03 -0.16 0.08 -0.25 0.11 -0.04 -0.05 -0.06 0.02 0.01 0.00 0.03 0.04 0.05 0.03 0.10 -0.01 -0.09 0.07 -0.10 0.02 -0.04 -0.13 0.08 0.44 -0.27 -0.00 0.27 0.18 -0.22 -0.04 0.21 -0.05 0.02 0.02 -0.02 -0.02 -0.00 0.00 -0.01 0.01 0.00 -0.05 -0.02 -0.00 -0.02 0.01 0.01 0.01 -0.03 0.02 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.02 0.02 0.01 -0.02 -0.04 0.02 -0.02 -0.05 0.02 0.01 0.06 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.05 -0.00 0.00 0.05 0.00 0.05 0.00 -0.04 0.07 -0.04 -0.02 -0.00 0.01 0.01 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.02 -0.02 -0.01 0.01 0.01 0.07 -0.00 0.01 0.04 -0.07 0.09 0.01 -0.05 0.08 -0.01 -0.03 0.61 0.10 -0.10 -0.30 0.34 -0.03 -0.04 -0.57 0.06 -0.03 -0.00 0.01 0.08 0.11 -0.10 -0.05 -0.05 0.02 -0.03 -0.02 0.02 -0.08 -0.08 0.04 0.00 0.02 0.07 0.04 0.02 0.01 -0.00 -0.03 -0.02 -0.04 -0.04 -0.01 -0.04 -0.00 -0.03 0.02 0.01 0.10 -0.06 -0.06 0.05 -0.01 0.05 0.01 -0.01 0.06 -0.01 -0.02 -0.04 0.03 -0.03 -0.05 -0.02 -0.01 0.01 -0.05 0.04 0.11 -0.00 -0.00 -0.02 0.05 0.00 0.04 -0.00 -0.01 -0.01 -0.08 0.01 -0.03 -0.01 0.01 -0.01 0.04 0.06 -0.00 0.03 -0.03 0.00 0.04 -0.02 0.02 0.01 -0.01 0.03 0.01 -0.02 -0.02 0.02 -0.02 -0.01 0.02 0.06 -0.07 -0.06 0.10 -0.01 -0.04 0.02 0.17 0.10 0.11 0.17 -0.08 -0.05 0.05 -0.03 -0.01 0.00 0.00 -0.02 -0.02 -0.13 0.04 -0.05 -0.01 -0.09 -0.12 0.10 0.05 0.15 -0.06 0.25 -0.08 0.07 -0.00 0.04 0.00 -0.02 -0.01 0.03 0.05 -0.02 -0.03 0.04 -0.07 -0.19 0.10 -0.18 -0.02 -0.22 -0.10 0.03 0.41 -0.26 0.04 0.20 0.33 -0.20 -0.05 0.00 0.03 -0.05 -0.04 0.03 0.04 0.02 -0.03 0.05 0.07 -0.04 0.10 0.06 -0.00 -0.06 0.02 -0.01 0.02 -0.00 0.01 -0.03 -0.01 -0.03 0.00 0.01 0.00 0.02 -0.01 0.04 0.05 0.04 0.08 0.00 -0.10 0.02 -0.04 -0.01 0.03 -0.03 0.05 -0.00 -0.03 0.03 0.02 -0.02 0.01 -0.05 -0.02 -0.03 0.01 -0.00 -0.03 0.05 0.02 0.03 0.05 0.06 0.01 0.02 -0.08 -0.04 -0.08 -0.05 -0.01 -0.05 0.01 0.02 0.02 0.07 -0.00 0.03 -0.04 -0.02 0.02 -0.04 0.03 0.01 -0.03 0.02 0.01 -0.04 0.01 0.01 -0.05 0.00 0.02 0.07 -0.04 -0.10 0.07 -0.03 -0.04 -0.02 -0.04 0.01 0.01 -0.06 0.07 0.12 -0.02 0.02 0.04 0.07 -0.03 -0.14 -0.07 -0.17 -0.09 -0.00 -0.09 0.40 0.14 -0.22 0.14 -0.31 0.31 -0.31 0.16 -0.01 -0.04 0.00 0.03 -0.06 -0.03 0.03 0.02 0.02 -0.10 0.08 -0.03 -0.22 0.13 -0.14 -0.06 0.02 -0.04 -0.00 0.16 -0.07 0.00 0.10 0.03 -0.13 0.03 -0.08 0.03 0.02 -0.01 0.01 0.04 0.00 0.03 -0.04 -0.10 0.04 0.14 0.08 0.03 -0.08 0.00 -0.03 0.00 -0.03 0.02 -0.04 -0.02 -0.03 0.03 0.02 0.02 0.03 0.02 -0.00 -0.04 -0.05 -0.12 0.02 -0.04 0.00 -0.05 0.00 0.04 -0.04 0.08 0.00 -0.05 -0.01 0.03 0.03 0.02 0.06 0.03 0.03 0.01 -0.00 -0.02 -0.04 -0.00 -0.01 -0.05 -0.06 -0.05 -0.01 0.08 0.04 0.09 0.05 0.02 0.04 -0.01 -0.02 -0.03 -0.09 -0.00 -0.04 -0.03 -0.00 0.01 -0.05 0.03 0.02 -0.04 0.05 0.01 -0.05 0.02 0.02 -0.05 0.05 0.01 0.07 -0.04 -0.13 0.07 -0.02 -0.05 0.03 -0.05 -0.06 -0.05 -0.03 -0.03 -0.12 -0.01 0.01 -0.04 -0.11 0.05 0.13 0.07 0.17 0.07 0.02 0.06 -0.32 -0.06 0.15 -0.15 0.23 -0.26 0.17 -0.12 -0.04 -0.05 -0.02 0.04 -0.05 0.05 0.01 -0.02 0.17 -0.06 0.19 -0.00 -0.40 0.11 -0.30 -0.04 0.08 -0.02 -0.03 0.12 -0.02 0.01 0.09 -0.01 -0.13 0.05 -0.04 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.01 0.02 0.04 -0.02 -0.06 -0.10 0.03 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.12 0.01 0.07 0.17 -0.04 0.01 -0.09 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.02 -0.01 0.02 0.01 -0.02 -0.01 0.03 0.01 -0.01 0.03 0.05 -0.02 0.03 -0.01 -0.01 0.03 0.02 -0.02 -0.03 0.06 0.04 -0.04 0.02 0.02 -0.01 0.02 0.02 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.05 -0.01 -0.01 0.03 -0.03 0.05 -0.00 0.01 0.02 -0.02 -0.16 0.02 0.02 -0.02 -0.02 -0.16 0.49 0.31 0.30 0.14 -0.36 -0.23 -0.37 0.17 0.03 0.05 -0.02 -0.13 0.09 -0.01 -0.07 -0.05 0.09 0.02 0.07 -0.03 -0.01 -0.01 0.00 0.02 -0.00 -0.00 0.02 0.01 -0.01 0.02 -0.01 0.02 0.01 -0.07 -0.02 -0.05 -0.12 0.04 -0.03 -0.12 0.03 -0.02 -0.01 -0.01 -0.02 -0.02 -0.01 0.01 0.01 0.03 0.02 0.04 -0.02 0.05 0.23 -0.04 -0.04 -0.16 0.05 -0.04 -0.19 0.05 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.01 0.01 0.00 0.02 0.02 0.04 -0.02 -0.02 -0.07 0.02 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.08 0.35 -0.10 0.01 0.05 -0.02 -0.01 0.04 -0.01 -0.02 0.03 0.02 0.02 0.02 0.01 0.03 0.01 -0.01 0.01 0.05 -0.01 -0.03 -0.02 -0.01 -0.02 -0.00 0.00 0.05 0.01 -0.02 0.02 -0.04 0.06 -0.03 0.03 0.03 0.03 0.19 -0.03 0.14 0.61 -0.17 -0.10 0.22 -0.01 0.20 0.09 -0.10 -0.02 -0.04 0.01 -0.10 0.04 -0.12 0.07 0.06 0.09 0.02 0.16 -0.03 0.02 0.01 -0.01 -0.01 -0.02 0.02 0.07 -0.01 -0.02 0.12 0.14 -0.05 -0.00 -0.08 0.06 -0.05 0.00 -0.09 -0.00 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.03 0.06 -0.01 -0.03 0.10 -0.03 0.01 0.01 0.05 0.03 -0.04 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.01 -0.03 -0.02 -0.03 -0.04 0.06 -0.03 0.08 -0.01 -0.03 -0.02 0.05 0.04 0.07 -0.08 -0.05 -0.05 0.02 -0.05 -0.03 0.02 -0.01 -0.00 -0.02 -0.02 -0.00 0.00 0.00 0.01 -0.04 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.03 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.12 0.15 0.05 0.00 0.13 -0.07 0.10 0.01 -0.16 0.05 0.17 -0.11 -0.07 -0.06 -0.02 -0.07 -0.04 -0.00 -0.41 -0.22 0.26 -0.12 0.30 -0.32 0.42 -0.15 0.14 -0.03 -0.00 0.00 -0.02 -0.04 0.01 0.00 -0.01 0.00 -0.02 -0.02 -0.04 0.00 -0.04 -0.00 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.03 -0.01 0.06 0.03 -0.03 -0.03 -0.02 -0.04 0.05 0.01 0.05 -0.00 -0.12 0.08 0.09 0.03 0.06 -0.03 -0.05 -0.07 0.03 0.11 -0.03 0.03 0.20 -0.06 -0.08 -0.05 -0.12 -0.12 -0.08 -0.18 0.02 0.02 0.08 0.07 0.20 -0.05 0.02 0.11 -0.00 -0.02 0.01 0.01 -0.05 -0.17 0.05 0.03 0.01 0.05 -0.05 -0.04 -0.07 0.01 0.04 0.02 -0.05 -0.03 -0.04 0.02 0.06 0.03 -0.01 -0.02 0.03 -0.02 -0.02 0.01 0.05 0.03 0.10 0.10 0.00 0.06 0.03 0.08 -0.04 -0.03 -0.06 0.03 -0.03 -0.03 0.01 -0.03 -0.06 0.02 -0.06 -0.13 0.04 0.01 -0.04 -0.04 -0.01 -0.01 -0.01 -0.03 0.09 0.07 0.12 0.06 -0.01 0.04 0.04 0.01 0.01 0.07 -0.01 0.03 0.00 0.13 0.02 0.01 0.09 0.17 -0.04 -0.03 0.15 -0.04 0.16 0.06 0.03 0.08 -0.01 0.03 0.01 -0.05 -0.09 0.02 0.04 -0.01 0.03 -0.05 -0.04 -0.17 0.02 -0.16 -0.00 0.30 0.04 0.08 -0.27 0.12 -0.14 -0.09 -0.36 0.08 0.07 0.17 -0.04 -0.02 -0.02 -0.03 0.03 0.02 0.04 0.00 -0.07 0.06 0.02 0.02 0.03 -0.05 0.01 -0.07 -0.01 -0.01 0.00 -0.05 -0.22 0.06 -0.05 -0.04 -0.08 -0.09 -0.07 -0.13 0.01 0.02 0.04 0.06 0.18 -0.04 -0.04 -0.19 0.04 -0.02 -0.10 0.03 0.08 0.31 -0.08 0.04 0.01 0.05 -0.04 -0.05 -0.04 -0.00 0.02 0.01 -0.04 -0.02 -0.04 0.02 0.04 0.01 -0.01 -0.02 0.03 -0.02 -0.01 0.01 0.04 0.02 0.07 0.06 -0.02 0.05 0.01 0.01 -0.02 0.02 0.06 -0.01 0.00 0.01 -0.01 0.02 0.08 -0.02 0.02 0.07 -0.02 -0.00 0.02 -0.00 -0.00 0.01 0.00 -0.04 0.05 0.04 0.08 0.03 -0.01 0.05 0.01 -0.02 0.01 0.06 -0.02 0.02 -0.01 0.12 -0.00 0.01 0.07 0.04 -0.10 0.03 0.07 -0.01 0.07 0.11 -0.02 0.11 -0.03 -0.17 0.04 -0.00 -0.01 0.00 -0.04 0.13 0.05 0.08 0.04 -0.10 -0.04 -0.09 0.03 -0.37 -0.07 -0.08 0.30 -0.17 0.14 0.09 0.41 -0.10 0.02 0.04 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.02 -0.01 0.02 0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.12 0.03 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.02 0.00 0.00 0.01 0.01 0.03 -0.00 -0.02 -0.05 0.01 0.03 0.14 -0.04 -0.02 -0.06 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.03 -0.01 0.01 0.04 -0.01 -0.01 0.01 -0.00 0.01 0.06 -0.01 0.01 -0.02 -0.00 0.01 0.00 -0.01 0.00 0.03 0.02 0.02 0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.02 0.01 -0.00 0.02 0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.02 -0.11 0.02 0.00 0.03 -0.01 0.04 -0.41 -0.36 -0.17 -0.07 0.51 0.20 0.51 -0.17 0.02 0.01 -0.02 0.00 0.02 0.01 0.01 -0.01 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.05 0.07 -0.02 -0.10 -0.02 -0.01 0.05 0.17 -0.13 0.05 -0.00 0.09 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.02 0.00 -0.08 -0.00 0.02 0.00 0.03 -0.05 -0.01 0.04 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.02 0.00 -0.00 0.02 -0.00 -0.01 -0.09 0.03 0.01 -0.07 0.00 0.00 -0.00 -0.01 0.15 0.05 -0.06 -0.04 -0.08 0.02 -0.04 -0.02 -0.01 0.02 -0.00 0.02 0.02 -0.02 0.05 -0.01 -0.00 0.04 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.10 -0.08 -0.10 0.01 -0.14 0.07 0.31 -0.05 -0.13 0.17 0.25 -0.11 -0.07 -0.09 0.03 -0.09 0.01 -0.02 -0.32 -0.20 0.28 -0.09 0.19 -0.25 0.39 -0.12 0.21 0.02 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.04 -0.00 0.03 0.00 0.01 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.05 0.02 0.02 0.11 -0.05 -0.04 -0.01 0.08 -0.02 0.01 0.09 -0.02 0.09 0.18 -0.12 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.04 -0.06 0.06 -0.06 -0.03 0.09 -0.03 -0.13 0.03 -0.01 0.09 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.04 -0.05 -0.00 -0.05 -0.02 0.02 -0.04 0.16 0.02 -0.01 -0.11 0.06 -0.16 -0.00 0.01 0.01 -0.07 0.01 0.03 -0.10 0.07 -0.02 -0.13 -0.01 -0.03 0.02 -0.05 -0.00 0.02 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.03 0.01 -0.00 0.01 -0.03 0.30 0.28 0.06 0.36 -0.18 -0.31 0.08 0.05 -0.19 -0.17 0.05 0.04 -0.06 -0.03 0.07 -0.12 0.10 0.18 0.11 -0.20 0.07 -0.07 0.15 -0.22 0.06 -0.16 -0.00 -0.03 -0.01 0.01 -0.01 0.01 0.00 0.02 0.05 0.01 0.01 0.02 -0.04 -0.01 0.03 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.02 0.06 -0.00 -0.01 0.02 -0.00 0.01 0.01 0.05 0.14 -0.02 0.08 0.05 0.03 0.05 -0.07 0.01 0.01 0.09 -0.05 -0.09 -0.08 0.04 0.05 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.05 -0.01 0.03 -0.08 0.02 -0.13 0.02 -0.04 -0.16 -0.14 0.00 -0.05 -0.03 -0.00 0.00 0.02 0.01 -0.00 0.01 -0.04 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.00 0.02 0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 0.02 -0.00 -0.00 0.00 -0.08 0.01 0.00 -0.09 -0.02 -0.16 0.10 -0.05 -0.08 -0.08 0.03 0.04 0.05 0.00 0.02 -0.03 0.06 0.20 0.16 -0.03 0.03 0.03 -0.07 -0.06 -0.02 -0.08 0.04 0.05 -0.02 0.00 0.04 0.01 0.00 0.02 0.01 -0.01 0.02 -0.01 -0.02 -0.03 0.00 0.03 -0.02 0.01 -0.03 0.01 -0.01 0.01 0.03 0.01 -0.16 0.13 0.02 0.12 0.04 0.16 0.39 0.09 0.09 0.24 -0.32 0.04 0.18 0.25 -0.02 0.12 0.24 -0.03 0.12 0.19 -0.09 -0.16 -0.06 0.01 0.01 0.01 0.02 0.04 0.00 -0.00 0.00 -0.02 -0.04 0.01 0.02 0.00 0.03 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 0.03 0.10 0.00 -0.01 -0.01 -0.08 -0.03 -0.14 0.00 0.05 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.04 -0.09 -0.06 -0.19 -0.04 -0.04 -0.08 0.05 0.03 0.10 -0.02 0.12 0.03 -0.08 -0.04 -0.15 0.11 0.06 0.20 -0.10 -0.05 -0.18 0.12 -0.02 0.13 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.08 -0.10 -0.22 0.08 -0.21 0.06 -0.01 0.11 0.02 -0.03 0.10 0.02 -0.13 -0.07 -0.24 0.19 0.11 0.38 0.15 -0.22 -0.01 0.20 -0.03 0.27 0.18 0.01 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.02 0.01 0.01 -0.06 0.02 0.06 -0.06 -0.10 -0.19 -0.09 -0.15 0.11 -0.10 0.13 0.25 -0.02 0.22 -0.06 -0.00 -0.04 -0.08 0.04 0.11 0.02 -0.00 -0.04 0.03 -0.00 0.05 0.04 0.09 -0.03 0.02 0.15 -0.03 0.01 -0.08 -0.05 -0.05 -0.00 -0.06 -0.09 0.04 0.03 0.06 -0.00 -0.10 -0.02 -0.01 0.06 -0.02 0.10 0.03 0.01 0.05 -0.01 -0.05 0.00 -0.02 -0.07 -0.01 0.02 -0.06 0.04 0.02 0.06 0.06 -0.07 -0.03 0.01 -0.04 0.05 0.02 0.03 -0.05 -0.01 -0.06 -0.04 0.00 -0.04 -0.07 0.04 0.08 -0.06 0.03 0.06 -0.07 0.01 -0.06 0.15 -0.01 0.11 -0.05 0.21 0.21 0.02 0.25 -0.11 -0.09 0.02 -0.03 -0.06 -0.02 -0.03 -0.10 -0.02 0.02 -0.09 0.08 0.03 0.01 0.05 -0.05 -0.02 0.01 -0.02 -0.06 0.01 -0.08 0.05 -0.12 -0.06 -0.03 0.02 0.11 -0.08 -0.00 -0.07 -0.07 0.01 -0.05 -0.06 0.02 -0.06 0.24 -0.00 0.19 0.24 -0.01 0.20 0.18 -0.07 -0.09 0.07 0.09 0.05 0.05 -0.08 -0.03 0.01 0.01 0.01 0.01 0.14 -0.02 -0.12 -0.05 -0.12 0.04 0.00 -0.01 -0.04 -0.00 -0.04 -0.03 0.03 0.06 0.09 0.06 0.11 -0.07 -0.05 -0.15 -0.00 0.01 -0.10 0.00 -0.24 0.01 0.01 0.01 -0.04 -0.01 -0.00 -0.04 -0.04 -0.00 0.01 0.20 0.11 0.27 -0.09 -0.04 -0.06 -0.09 0.06 -0.05 -0.01 0.02 -0.07 -0.11 0.12 0.01 -0.01 0.02 0.12 -0.07 0.02 -0.02 0.13 0.05 0.09 0.08 -0.01 0.09 0.02 -0.08 -0.02 -0.02 -0.01 -0.03 -0.01 -0.01 -0.03 -0.03 0.01 0.04 -0.02 0.01 0.02 -0.05 0.00 -0.04 0.08 -0.00 0.07 -0.16 0.08 -0.05 0.03 0.01 -0.02 -0.15 0.14 0.01 -0.14 0.06 0.00 0.05 0.05 0.27 -0.12 0.05 -0.04 0.14 -0.20 -0.08 0.19 -0.00 0.27 0.13 0.01 0.18 0.04 0.07 -0.05 0.00 0.02 0.05 -0.05 0.00 -0.04 -0.05 0.00 -0.04 -0.05 -0.00 -0.04 0.13 0.00 0.11 0.12 -0.00 0.11 0.10 -0.03 -0.04 0.03 -0.09 -0.05 0.06 -0.10 -0.01 0.01 -0.02 -0.03 -0.09 -0.07 -0.03 0.01 -0.05 0.06 -0.10 0.02 0.07 0.16 -0.02 0.06 -0.01 -0.04 -0.16 0.04 0.04 -0.03 0.02 -0.00 0.00 0.05 0.07 -0.05 -0.03 -0.01 0.06 -0.05 0.04 0.04 0.02 0.00 0.01 -0.01 -0.01 -0.03 0.08 0.03 -0.03 -0.05 -0.02 0.04 -0.07 0.08 0.02 0.02 0.06 -0.04 -0.07 0.06 -0.02 -0.08 0.01 0.05 -0.07 0.06 0.02 0.09 0.05 -0.05 0.01 0.00 0.01 -0.09 0.02 0.08 -0.03 0.02 0.01 0.06 -0.00 0.04 -0.02 -0.01 -0.07 0.04 -0.01 -0.02 0.14 0.01 0.21 -0.14 -0.01 -0.18 -0.13 0.15 0.11 -0.02 0.15 -0.05 -0.08 0.05 -0.04 -0.09 0.04 -0.05 -0.10 -0.00 0.07 -0.13 0.12 0.03 0.02 -0.07 -0.05 0.05 0.02 0.06 0.03 0.00 0.03 -0.01 0.05 0.03 0.04 -0.01 -0.02 0.18 0.05 0.31 0.18 0.02 0.24 -0.02 0.01 0.20 -0.19 -0.02 -0.23 -0.19 -0.01 -0.23 -0.16 0.02 -0.06 0.02 0.03 0.10 0.13 -0.11 -0.04 -0.03 0.01 0.02 0.05 -0.07 0.06 -0.01 0.01 0.05 -0.02 -0.00 -0.04 -0.05 0.01 -0.02 0.03 0.00 0.04 -0.04 0.04 -0.07 0.01 0.14 0.05 0.05 -0.02 0.06 -0.01 0.02 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.02 -0.01 0.00 -0.08 -0.02 -0.12 -0.04 0.14 0.09 -0.17 -0.07 0.02 0.01 0.02 -0.01 -0.05 0.09 -0.02 -0.04 0.10 0.01 -0.06 0.03 -0.04 0.02 -0.06 -0.02 0.03 -0.02 0.06 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.04 -0.01 -0.07 0.03 0.01 0.05 -0.17 -0.26 -0.36 -0.38 -0.32 0.29 0.05 0.04 -0.02 -0.08 0.15 -0.10 -0.01 0.11 -0.07 -0.10 0.02 -0.10 -0.02 -0.20 0.01 0.07 0.02 0.09 0.15 -0.02 0.17 -0.01 -0.01 0.00 -0.00 -0.00 -0.02 -0.05 -0.02 -0.10 -0.06 -0.01 -0.07 0.02 0.00 -0.06 0.03 0.01 0.05 0.03 0.01 0.05 0.03 0.01 0.05 -0.04 -0.03 -0.01 0.02 -0.04 0.01 -0.05 0.04 0.07 0.04 -0.10 0.13 -0.08 0.04 0.01 -0.08 0.01 -0.08 -0.05 0.00 -0.03 0.04 0.01 0.06 0.04 0.02 -0.09 0.07 -0.07 0.04 0.05 0.08 -0.06 -0.03 -0.09 0.02 0.01 0.02 -0.00 0.02 -0.01 -0.00 0.03 -0.01 -0.01 0.02 0.03 -0.09 -0.03 -0.11 0.02 0.05 0.10 0.06 0.05 0.08 -0.03 0.02 -0.04 -0.02 -0.11 -0.08 -0.02 -0.02 0.08 0.09 0.03 0.05 -0.09 -0.04 0.02 -0.06 -0.01 -0.02 -0.01 0.02 -0.00 -0.00 0.00 -0.01 -0.03 0.05 -0.01 0.00 0.02 -0.01 -0.02 -0.06 -0.00 -0.08 0.04 0.01 0.08 -0.00 0.31 0.41 0.20 0.37 -0.22 0.00 -0.05 -0.04 0.03 -0.03 -0.02 -0.19 -0.12 -0.00 -0.05 0.20 0.22 -0.02 0.14 -0.01 -0.07 0.01 -0.12 -0.10 0.01 -0.14 0.01 0.04 -0.01 0.02 -0.01 -0.03 -0.07 -0.01 -0.10 -0.06 -0.00 -0.09 -0.01 -0.01 -0.07 0.04 0.01 0.07 0.04 0.01 0.07 0.04 0.01 0.07 -0.06 -0.07 -0.03 0.03 -0.02 -0.01 -0.03 0.05 0.07 0.11 -0.02 0.11 -0.10 0.04 -0.03 0.34 -0.04 -0.09 0.07 0.01 0.10 -0.17 0.01 -0.11 -0.05 -0.00 -0.11 0.04 0.03 0.08 0.01 -0.01 0.00 0.05 -0.10 -0.13 0.06 -0.08 -0.07 -0.08 0.02 0.02 -0.10 0.05 0.11 -0.03 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.01 -0.05 0.03 -0.02 -0.00 -0.05 -0.01 -0.06 0.03 0.04 0.08 0.00 -0.01 0.02 -0.01 0.00 -0.02 0.21 -0.09 -0.19 -0.03 -0.00 0.00 -0.07 0.04 0.08 -0.18 0.06 0.06 -0.14 0.06 0.10 0.10 0.00 0.13 -0.08 -0.02 -0.16 0.00 0.01 0.06 -0.01 0.03 0.01 0.07 -0.04 -0.01 0.03 0.03 -0.03 -0.06 -0.02 -0.06 0.10 0.11 0.25 -0.02 0.04 0.02 -0.03 0.00 -0.06 -0.01 -0.01 -0.03 -0.04 -0.10 -0.05 -0.11 0.07 0.15 0.10 0.02 0.15 0.11 0.01 0.11 0.06 -0.02 0.13 -0.05 -0.02 -0.13 -0.05 -0.02 -0.13 -0.07 -0.04 -0.22 -0.06 -0.14 -0.23 -0.02 0.00 -0.02 0.03 -0.02 -0.01 -0.06 0.07 -0.05 0.00 -0.03 -0.05 -0.06 0.01 0.03 -0.01 -0.01 -0.02 0.02 0.00 0.02 -0.13 -0.08 -0.22 0.11 0.09 0.24 -0.01 -0.01 -0.01 0.01 -0.02 0.03 -0.01 0.02 0.02 0.02 -0.00 -0.01 0.01 -0.01 -0.02 0.06 0.03 0.11 -0.02 0.01 -0.06 -0.02 -0.03 -0.02 -0.12 -0.07 -0.20 -0.01 0.02 -0.00 -0.04 -0.01 -0.12 0.11 0.03 0.18 0.09 0.05 0.18 0.01 -0.00 0.01 -0.04 -0.00 0.05 -0.00 0.00 -0.00 0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.02 0.01 0.00 0.02 -0.01 -0.09 -0.12 -0.06 -0.11 0.06 0.01 0.01 0.00 -0.01 0.02 -0.01 0.04 0.02 -0.03 0.37 0.14 0.64 0.01 -0.04 -0.01 0.02 -0.00 0.03 0.03 0.00 0.04 0.03 0.04 0.01 0.02 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 -0.02 0.02 0.00 0.02 0.02 0.00 0.02 0.02 0.00 0.02 0.05 -0.01 0.06 0.10 -0.10 -0.02 0.04 -0.02 0.01 -0.06 0.06 -0.02 -0.00 -0.04 -0.06 -0.03 0.00 0.00 0.01 -0.01 -0.02 -0.02 0.01 0.01 -0.06 0.02 0.07 -0.12 0.07 -0.11 -0.14 0.00 0.00 0.05 0.01 0.01 0.01 0.01 0.03 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.02 0.08 -0.03 0.09 -0.07 0.10 -0.04 0.11 -0.10 0.04 0.10 0.20 -0.15 0.03 -0.11 0.15 -0.10 -0.05 0.09 0.09 -0.03 -0.02 -0.02 -0.02 -0.00 -0.06 0.01 0.01 0.03 -0.01 0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.22 -0.04 0.21 0.10 0.06 0.02 0.35 -0.23 0.00 0.21 0.05 -0.05 -0.13 0.14 -0.15 0.04 0.04 0.13 -0.09 0.27 0.16 -0.17 -0.02 -0.30 -0.10 -0.02 -0.18 0.04 -0.00 0.02 0.02 -0.00 0.01 0.00 0.01 0.02 0.01 0.01 0.01 -0.03 0.00 0.00 0.02 0.00 0.01 0.02 -0.00 0.01 0.01 -0.01 -0.02 0.06 0.01 0.03 0.04 -0.04 -0.02 -0.16 -0.02 -0.15 0.31 -0.07 -0.07 0.13 0.08 0.26 0.09 -0.00 0.09 -0.05 0.05 0.11 0.15 -0.04 -0.01 0.01 0.03 0.06 -0.02 0.00 -0.01 -0.07 -0.03 -0.05 -0.26 0.02 -0.08 -0.10 -0.03 -0.17 -0.05 0.01 0.04 0.06 -0.01 -0.02 0.06 0.07 0.18 -0.03 -0.02 -0.08 0.05 -0.02 0.00 -0.06 0.01 -0.06 0.06 -0.04 0.02 -0.04 0.03 -0.01 -0.01 0.05 0.04 0.05 0.02 0.15 0.00 0.00 -0.01 -0.14 -0.01 -0.12 0.01 -0.01 0.01 -0.05 0.04 0.09 0.11 -0.03 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.02 0.01 0.01 0.07 0.03 0.10 0.14 0.05 -0.07 0.09 -0.06 0.01 0.07 0.00 0.01 -0.01 0.04 0.11 0.05 0.09 0.17 -0.00 0.08 0.04 -0.03 -0.01 -0.06 -0.03 -0.00 -0.04 -0.23 0.10 -0.15 -0.08 -0.01 -0.11 -0.03 -0.02 -0.09 -0.03 -0.02 -0.08 0.15 -0.04 0.00 -0.09 0.00 -0.06 -0.09 0.01 -0.06 -0.04 0.06 0.17 -0.23 0.10 -0.06 0.00 -0.00 -0.00 -0.04 0.01 -0.03 0.04 -0.02 -0.01 0.00 0.02 0.05 -0.01 0.00 0.05 -0.04 -0.04 -0.17 -0.10 0.00 -0.09 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.02 0.00 -0.03 0.00 -0.02 0.31 -0.05 0.08 0.01 0.08 0.31 -0.00 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 0.00 -0.04 0.01 0.01 0.09 0.01 0.10 0.19 -0.07 -0.13 -0.13 0.06 0.12 0.09 0.00 0.08 -0.14 0.00 -0.14 -0.10 -0.02 -0.16 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 0.02 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.08 0.06 -0.02 0.35 0.02 0.44 -0.11 -0.01 -0.12 -0.12 0.01 -0.10 -0.16 0.03 -0.16 -0.11 -0.02 -0.15 -0.10 -0.01 -0.15 -0.10 -0.01 -0.13 -0.00 -0.00 0.04 -0.03 0.07 -0.00 0.02 -0.01 -0.03 0.00 0.01 -0.04 0.00 -0.04 0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.11 -0.05 -0.02 0.05 -0.13 0.12 -0.18 -0.07 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.06 0.10 -0.12 0.04 0.10 -0.18 0.02 0.24 0.21 0.00 -0.06 0.02 -0.04 0.00 -0.03 -0.10 -0.06 0.08 -0.03 0.04 -0.05 -0.12 0.06 -0.01 -0.01 -0.04 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.17 0.06 0.32 -0.22 0.13 0.15 0.34 -0.20 -0.06 -0.04 0.29 -0.26 0.04 -0.08 -0.21 -0.04 0.11 0.09 -0.06 0.08 0.05 -0.05 0.06 -0.14 0.00 -0.05 -0.12 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.04 0.01 0.02 0.01 -0.01 -0.00 0.07 0.30 -0.19 0.03 -0.28 -0.08 -0.25 -0.01 0.23 -0.02 0.01 0.03 0.03 -0.02 -0.04 -0.06 0.03 0.02 -0.09 0.01 0.06 -0.14 -0.02 0.06 -0.06 -0.00 0.01 0.11 -0.15 0.00 0.05 0.07 0.11 -0.00 0.00 0.01 -0.01 -0.01 -0.05 0.02 0.11 -0.01 -0.01 0.02 -0.00 0.00 -0.02 0.01 -0.07 -0.08 0.06 0.02 -0.02 0.01 0.10 -0.07 -0.04 0.10 -0.11 -0.01 0.04 0.03 -0.00 0.00 -0.00 -0.00 0.02 -0.04 0.08 -0.01 0.02 0.02 0.00 -0.00 -0.02 -0.02 -0.01 -0.04 0.00 -0.01 -0.05 0.02 0.00 0.02 0.02 0.00 0.03 0.05 -0.08 -0.07 -0.04 -0.08 0.07 0.04 -0.02 0.02 0.02 -0.02 0.01 0.16 -0.05 -0.09 0.19 -0.20 -0.03 -0.01 0.04 0.03 -0.02 -0.01 -0.04 -0.01 -0.01 -0.02 0.01 -0.35 0.17 -0.01 -0.02 -0.07 0.04 0.01 0.05 0.04 0.01 0.04 -0.05 0.01 0.01 0.07 0.01 0.07 0.06 -0.00 0.07 0.04 -0.03 -0.07 0.11 -0.34 0.08 -0.02 0.00 0.01 0.06 0.04 0.04 -0.03 -0.01 0.04 -0.02 -0.00 -0.03 0.01 0.01 0.03 -0.03 0.02 0.05 0.09 -0.04 -0.03 -0.04 -0.08 -0.02 -0.06 0.01 -0.03 0.02 0.09 -0.05 -0.04 -0.02 -0.01 -0.06 -0.05 -0.13 -0.01 0.01 -0.02 -0.01 0.00 0.03 0.11 -0.01 -0.00 0.02 0.08 0.07 -0.05 0.01 0.06 -0.01 -0.06 0.09 -0.01 -0.00 -0.00 0.04 -0.01 -0.07 0.05 -0.11 0.04 0.07 0.08 -0.11 -0.01 -0.01 -0.01 -0.07 -0.05 -0.03 -0.01 -0.02 -0.03 0.00 -0.00 0.03 0.04 0.02 0.05 0.00 0.02 0.06 -0.02 0.00 -0.02 -0.02 -0.00 -0.03 -0.01 -0.06 -0.04 -0.17 -0.04 0.13 0.04 -0.03 -0.01 -0.03 0.05 -0.06 0.07 -0.01 -0.27 0.12 -0.23 -0.05 -0.02 0.01 0.00 -0.01 0.01 -0.03 -0.01 -0.01 -0.02 0.07 0.68 -0.24 0.00 0.01 0.07 -0.04 -0.01 -0.06 -0.04 -0.00 -0.05 0.06 -0.01 -0.01 -0.08 -0.01 -0.09 -0.08 0.00 -0.08 -0.04 0.04 0.11 0.01 0.12 -0.04 0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.02 -0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.02 0.01 -0.01 -0.02 -0.02 -0.00 0.01 0.00 0.03 0.01 0.01 -0.01 0.02 -0.01 -0.03 0.02 0.02 0.02 0.01 0.02 -0.06 0.03 -0.00 0.02 -0.00 0.00 -0.01 0.01 -0.04 0.01 -0.01 -0.01 -0.03 -0.02 0.02 -0.01 -0.02 0.00 0.02 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.03 -0.02 -0.03 -0.03 0.03 0.00 0.00 0.00 0.02 -0.04 0.02 0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.00 0.02 -0.01 -0.02 0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.05 0.01 -0.04 -0.01 0.01 0.00 0.01 -0.02 0.02 -0.01 -0.00 0.09 -0.03 0.07 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.24 0.92 -0.12 -0.03 -0.02 -0.01 0.02 -0.00 0.02 0.01 0.00 0.03 -0.03 0.02 0.00 0.01 0.00 0.02 0.02 0.00 0.03 0.01 -0.00 -0.02 0.04 0.14 -0.03 0.03 -0.00 -0.01 0.15 0.07 0.03 -0.07 -0.01 0.00 -0.06 -0.08 -0.02 -0.01 0.01 0.07 -0.01 0.01 0.01 0.23 -0.07 -0.06 -0.02 0.11 0.01 0.01 -0.02 0.07 -0.01 -0.11 0.11 0.03 -0.02 -0.03 -0.08 0.01 -0.16 -0.06 -0.01 -0.07 -0.03 0.02 0.06 -0.13 0.05 -0.02 -0.03 -0.09 -0.07 0.04 -0.02 -0.06 0.02 0.07 -0.08 0.02 -0.00 0.01 0.01 -0.03 0.06 -0.01 0.12 -0.08 -0.12 -0.11 0.04 0.01 0.01 0.01 -0.08 -0.00 -0.00 -0.02 0.01 -0.09 -0.02 0.00 0.01 0.07 0.00 0.13 -0.05 0.05 0.15 -0.04 0.01 -0.02 -0.03 -0.00 -0.04 0.01 0.04 0.02 0.16 0.02 -0.11 -0.03 0.02 0.02 0.03 -0.05 0.06 -0.02 -0.03 0.28 -0.08 0.24 0.02 0.02 0.01 0.01 0.01 -0.01 0.02 0.00 0.01 0.02 -0.10 -0.26 -0.12 -0.03 0.08 0.17 -0.05 0.01 -0.02 -0.03 0.01 -0.03 -0.02 -0.01 -0.01 -0.17 -0.01 -0.18 -0.17 0.00 -0.19 -0.09 0.09 0.29 0.06 -0.24 0.09 0.01 -0.00 -0.00 0.06 0.02 0.02 -0.02 0.00 0.02 -0.02 -0.03 -0.02 0.03 -0.00 0.05 -0.15 0.11 0.27 -0.17 0.05 0.02 -0.01 0.03 -0.01 0.00 -0.01 0.02 -0.00 -0.03 0.04 0.02 -0.00 -0.04 -0.08 -0.01 -0.08 0.13 -0.03 0.05 -0.05 -0.02 -0.13 -0.04 0.02 -0.00 -0.01 -0.03 -0.01 0.02 -0.01 -0.02 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 0.04 -0.03 -0.05 -0.04 -0.00 0.00 0.00 0.00 -0.05 -0.02 -0.02 -0.05 -0.00 -0.02 0.16 0.02 0.12 -0.04 -0.02 -0.10 0.25 -0.09 -0.09 -0.01 -0.01 -0.04 0.01 -0.01 -0.05 0.00 0.01 -0.01 0.04 -0.00 -0.03 -0.02 0.01 0.01 0.01 -0.03 0.03 -0.02 -0.02 0.08 -0.03 0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.06 0.18 -0.11 0.27 -0.11 -0.05 -0.15 -0.04 -0.28 -0.12 -0.03 -0.25 0.42 -0.11 0.02 0.10 -0.01 0.05 0.10 -0.02 0.05 0.04 -0.07 -0.25 0.02 -0.12 0.01 0.05 -0.04 -0.01 -0.02 -0.06 0.01 0.01 0.04 -0.01 0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.15 0.05 -0.08 -0.18 -0.15 0.05 -0.09 0.04 -0.05 -0.01 0.01 0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 0.01 0.00 0.00 -0.02 0.13 0.10 0.11 -0.05 0.19 0.02 0.01 -0.03 0.06 0.16 0.06 -0.01 0.02 -0.02 0.12 -0.16 -0.07 0.21 0.18 -0.08 -0.06 0.05 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.08 -0.23 -0.16 -0.13 0.13 -0.19 0.12 0.03 -0.02 -0.17 0.08 -0.21 -0.31 -0.36 0.02 0.18 -0.30 -0.02 -0.05 -0.02 -0.02 -0.05 0.01 -0.02 0.03 0.06 -0.02 -0.04 0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.02 0.01 -0.00 0.02 -0.02 0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 0.11 -0.02 0.02 -0.03 -0.00 -0.02 -0.05 0.03 -0.01 0.02 0.02 0.03 -0.01 -0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.07 0.14 -0.11 0.00 0.12 0.05 0.12 0.02 -0.02 0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 0.04 -0.10 -0.13 -0.04 -0.15 -0.10 -0.03 0.09 -0.05 -0.01 -0.11 0.00 -0.05 0.05 0.15 -0.07 -0.02 0.12 -0.03 -0.13 0.02 0.10 -0.04 0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.21 0.03 0.04 -0.00 0.34 -0.22 -0.03 -0.01 0.29 -0.15 0.41 0.06 0.35 0.29 0.01 0.12 0.03 0.09 0.03 0.03 0.10 -0.02 0.02 -0.07 -0.14 -0.00 -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 0.00 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.05 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.03 -0.01 0.01 -0.01 0.00 -0.02 -0.03 0.00 -0.03 -0.04 0.03 0.06 0.04 -0.01 -0.02 0.06 0.03 0.12 -0.03 -0.02 -0.04 -0.17 -0.07 -0.31 0.04 0.02 0.04 0.04 -0.01 -0.01 -0.01 -0.02 -0.06 -0.04 0.00 -0.02 -0.19 -0.10 -0.36 0.02 0.00 0.04 -0.00 0.01 0.01 0.04 0.03 0.08 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.02 0.06 0.29 0.16 0.52 -0.00 -0.00 -0.00 0.05 0.00 0.04 -0.01 0.01 -0.08 0.04 0.01 0.02 -0.01 -0.02 0.06 0.03 0.01 0.08 -0.03 0.00 -0.02 -0.01 -0.01 -0.04 -0.01 0.00 -0.00 -0.02 -0.00 0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.11 -0.07 -0.23 -0.06 -0.03 -0.15 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.17 -0.01 -0.03 0.08 0.06 0.12 -0.06 -0.00 -0.07 -0.05 0.00 -0.07 0.09 -0.03 0.00 -0.04 -0.01 -0.06 -0.04 -0.01 -0.07 -0.03 0.01 0.04 -0.04 -0.18 0.05 -0.00 -0.00 -0.00 0.02 0.00 0.02 -0.00 0.01 0.02 -0.01 -0.01 -0.02 0.03 -0.00 0.05 0.04 0.02 -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.06 -0.08 -0.07 -0.01 0.02 0.02 0.05 0.03 -0.02 0.02 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.02 0.00 0.00 -0.00 -0.06 -0.01 -0.04 0.08 0.27 0.01 -0.08 -0.18 0.03 -0.03 -0.18 -0.01 -0.01 0.03 -0.08 0.02 -0.00 0.01 0.01 0.01 0.04 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.13 0.16 -0.03 0.11 0.66 -0.31 0.06 0.00 0.07 0.02 -0.00 0.02 -0.07 -0.02 0.01 0.04 0.01 0.08 0.02 -0.00 0.03 0.01 -0.03 -0.02 -0.05 -0.42 0.10 -0.00 0.00 -0.00 0.08 0.02 0.05 -0.02 0.01 0.05 -0.01 -0.03 -0.04 0.07 -0.00 0.08 0.05 -0.06 -0.10 -0.05 -0.01 0.03 0.01 0.01 0.01 0.00 0.00 -0.00 -0.02 -0.03 -0.04 -0.04 -0.01 -0.10 -0.14 0.06 -0.06 0.03 0.03 0.11 0.08 -0.01 0.04 -0.04 -0.02 -0.08 -0.01 -0.00 -0.01 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 0.01 0.00 0.04 0.01 0.08 -0.00 0.00 0.00 -0.13 -0.01 -0.10 -0.00 -0.13 0.18 -0.04 0.11 -0.07 0.05 0.11 -0.14 -0.06 -0.05 -0.14 0.05 -0.01 0.03 0.02 0.01 0.08 0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.41 0.09 -0.01 -0.27 -0.55 -0.12 0.10 0.01 0.11 0.11 0.00 0.12 -0.15 0.05 -0.00 0.05 0.02 0.09 0.07 0.02 0.13 0.04 -0.00 -0.04 0.02 -0.16 0.02 0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.02 -0.02 -0.12 0.01 0.04 0.10 -0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.03 0.02 -0.03 -0.01 -0.02 0.02 -0.05 -0.13 0.03 0.03 0.12 -0.03 0.01 0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.01 0.00 0.12 0.49 -0.14 -0.10 -0.44 0.12 -0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.00 0.00 -0.01 -0.02 0.07 0.36 -0.04 -0.05 -0.11 0.01 -0.03 0.02 -0.00 0.07 0.00 0.06 -0.03 0.03 -0.00 0.01 0.01 0.06 -0.03 -0.01 -0.05 -0.01 -0.03 0.03 -0.07 -0.49 0.13 -0.00 0.00 -0.00 0.05 0.02 0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.00 -0.01 0.02 -0.03 -0.00 -0.00 0.01 -0.04 0.03 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.02 0.00 -0.09 -0.04 0.06 0.02 -0.00 -0.06 0.01 -0.00 0.02 0.05 0.06 0.02 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 -0.03 -0.01 0.05 -0.04 0.01 -0.02 0.00 -0.00 -0.03 -0.10 0.01 -0.02 0.01 -0.03 0.02 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.05 -0.18 -0.03 0.02 0.24 -0.11 0.02 -0.02 0.00 0.01 -0.01 0.02 0.02 0.03 -0.00 0.03 0.00 0.04 0.02 -0.01 0.02 0.01 -0.02 -0.05 0.09 0.88 -0.21 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.08 -0.07 -0.18 0.08 0.02 0.08 -0.09 -0.02 -0.07 0.01 0.01 0.00 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.01 0.06 -0.05 -0.05 -0.14 -0.05 -0.05 0.01 0.11 0.08 0.26 -0.06 -0.02 0.03 0.08 0.07 0.09 -0.01 0.02 -0.10 0.01 -0.00 0.02 -0.01 0.01 0.02 -0.01 -0.06 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 0.06 0.26 0.14 0.11 -0.18 0.32 -0.24 -0.12 0.00 0.43 -0.09 0.05 0.06 0.06 -0.07 -0.08 -0.30 0.08 -0.00 -0.08 0.14 0.22 0.14 0.08 -0.12 -0.17 0.01 -0.03 0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.05 -0.19 0.04 0.01 -0.01 -0.03 0.06 -0.02 -0.01 -0.02 -0.01 -0.04 0.01 0.02 0.03 -0.01 -0.01 -0.02 0.01 -0.21 -0.03 -0.10 -0.13 0.12 -0.00 0.02 -0.01 -0.04 0.04 -0.05 -0.01 0.01 -0.01 -0.02 0.00 -0.04 0.00 -0.01 -0.02 0.03 0.01 0.06 0.00 -0.01 0.01 0.01 0.01 0.03 -0.02 -0.02 -0.01 0.01 0.00 0.01 0.00 0.00 0.01 0.05 0.60 -0.10 -0.11 -0.03 0.05 0.03 -0.04 0.01 0.00 -0.02 0.01 0.06 -0.00 0.00 -0.03 0.00 -0.02 0.01 -0.00 -0.00 0.01 0.01 0.02 0.04 0.01 -0.04 0.03 -0.03 -0.01 0.01 0.03 0.00 0.02 0.01 0.02 -0.03 -0.04 -0.04 0.01 0.02 0.00 0.01 0.02 0.01 0.00 -0.01 -0.02 -0.08 0.30 0.07 0.12 0.11 0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.00 -0.04 0.03 -0.03 -0.03 -0.01 -0.03 -0.03 -0.00 -0.04 -0.01 0.03 0.09 0.24 0.46 -0.15 -0.01 0.00 0.00 0.01 0.03 -0.01 0.00 -0.02 -0.00 -0.02 0.02 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.11 -0.07 0.06 0.10 -0.10 -0.09 -0.13 -0.01 0.12 0.01 -0.02 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.06 -0.12 -0.03 0.12 -0.05 0.09 -0.07 -0.02 0.11 -0.15 0.01 -0.08 -0.13 0.04 -0.01 0.02 0.08 -0.12 0.09 0.19 -0.04 -0.00 -0.05 0.01 -0.04 -0.01 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 0.04 0.22 -0.06 0.06 0.03 0.22 -0.18 -0.17 -0.08 0.47 -0.14 -0.11 0.04 -0.06 0.23 0.10 -0.01 0.06 -0.13 -0.19 0.16 0.23 0.17 0.11 -0.13 -0.16 -0.02 0.02 0.01 0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.04 0.06 -0.02 -0.00 0.00 0.00 0.03 0.01 -0.01 -0.02 -0.00 -0.02 0.00 -0.02 0.00 -0.11 -0.06 -0.02 -0.03 0.03 0.06 -0.11 0.02 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.08 -0.03 0.09 0.12 -0.12 -0.18 -0.00 -0.09 0.02 0.09 -0.11 0.12 0.02 0.00 0.02 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.22 0.04 0.22 0.10 -0.10 -0.05 0.06 -0.02 0.01 0.08 -0.04 -0.11 0.03 -0.01 0.06 -0.01 0.04 -0.01 0.00 0.00 -0.00 0.01 0.02 0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.03 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 0.26 -0.10 -0.22 -0.29 -0.47 0.05 0.02 -0.00 -0.01 0.04 -0.01 -0.01 0.11 -0.03 0.05 0.06 0.01 0.06 0.06 0.01 0.08 0.01 -0.04 -0.16 -0.13 -0.37 0.22 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.04 0.02 -0.01 0.02 -0.01 -0.03 0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.03 -0.02 -0.00 -0.05 -0.02 0.08 -0.04 -0.13 0.04 -0.07 -0.11 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.06 -0.02 -0.01 0.28 -0.03 0.04 0.04 -0.01 0.01 0.03 -0.01 0.06 0.03 -0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.03 -0.01 0.01 0.01 0.03 0.02 0.01 0.01 -0.02 -0.01 0.02 -0.01 -0.02 -0.02 -0.01 0.02 0.03 -0.11 0.01 0.09 -0.10 -0.67 0.20 -0.02 0.01 -0.00 0.00 0.01 0.01 -0.05 0.03 -0.03 -0.02 -0.00 -0.03 -0.02 0.01 -0.02 -0.00 0.01 0.05 0.06 0.53 -0.19 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.04 -0.01 0.01 -0.02 0.01 -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.04 -0.04 -0.00 -0.02 -0.02 -0.02 -0.03 0.04 0.10 0.03 0.03 0.08 0.04 0.04 -0.03 -0.01 0.02 -0.06 -0.01 0.04 -0.10 0.02 -0.02 0.00 0.01 -0.02 -0.05 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.10 -0.02 -0.07 -0.07 -0.08 0.21 -0.19 0.22 0.16 -0.10 -0.32 -0.07 0.22 0.15 0.47 0.21 0.13 0.28 -0.12 -0.04 0.06 -0.16 -0.27 -0.19 -0.07 0.13 0.20 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.03 0.00 -0.00 -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 -0.01 -0.01 0.01 -0.02 -0.06 0.02 -0.02 -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.08 -0.01 0.04 0.16 -0.04 0.04 0.16 -0.04 -0.05 -0.22 0.06 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.03 0.01 0.01 0.02 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.23 0.87 -0.23 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.09 -0.03 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.04 -0.00 0.03 0.02 -0.05 -0.02 0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.05 0.01 0.07 0.03 0.08 0.08 0.01 -0.03 0.02 0.01 0.06 -0.06 0.02 0.01 -0.06 -0.10 -0.07 -0.06 -0.09 -0.03 -0.04 0.03 0.01 -0.04 -0.02 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 -0.06 -0.11 -0.00 -0.07 0.06 0.06 -0.13 -0.19 0.06 0.25 0.09 0.25 0.06 0.49 0.16 0.06 0.46 0.09 -0.06 -0.15 0.14 0.22 0.16 0.06 -0.15 -0.20 -0.00 -0.01 -0.00 -0.01 -0.04 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 -0.00 0.04 -0.04 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.10 -0.05 0.26 0.10 -0.14 -0.17 0.10 0.07 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.09 0.07 0.03 -0.03 -0.05 -0.04 -0.04 -0.03 0.10 -0.11 -0.00 0.04 0.01 0.06 -0.03 0.09 -0.16 0.06 0.05 -0.13 0.04 -0.11 0.09 0.03 0.01 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.10 0.05 0.21 0.09 0.05 -0.00 -0.09 0.21 0.23 -0.12 -0.21 -0.11 0.08 -0.19 -0.24 0.02 -0.27 -0.17 -0.13 -0.16 -0.01 -0.12 -0.27 -0.12 -0.01 0.16 0.28 -0.00 -0.00 -0.01 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.07 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 0.03 0.03 -0.01 -0.01 -0.04 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.02 -0.02 -0.10 0.14 0.06 0.15 0.01 -0.00 -0.03 -0.05 0.13 0.03 0.01 0.01 0.06 -0.01 0.00 0.04 0.00 -0.00 -0.00 -0.06 -0.11 -0.14 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.15 -0.16 -0.25 0.26 -0.33 0.50 -0.05 0.05 -0.12 -0.05 0.20 -0.01 -0.15 -0.07 -0.15 -0.17 -0.02 -0.18 -0.02 -0.19 -0.23 0.01 -0.04 -0.06 -0.00 -0.15 -0.18 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.07 -0.04 0.00 0.00 -0.00 -0.00 -0.09 -0.03 -0.01 0.03 0.00 0.01 -0.04 0.06 0.01 -0.05 0.03 0.11 -0.05 0.02 0.03 0.02 -0.01 -0.02 0.00 -0.02 0.01 -0.01 -0.01 0.02 0.02 0.02 -0.01 0.35 -0.04 -0.04 -0.03 -0.01 -0.11 0.05 -0.04 -0.01 0.00 0.00 0.05 -0.02 -0.02 -0.00 -0.01 0.00 -0.03 0.02 0.01 0.02 0.01 0.00 -0.02 -0.00 0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.08 -0.01 0.01 0.01 0.02 -0.03 -0.03 0.01 -0.03 -0.02 0.00 -0.02 -0.08 0.01 -0.04 0.07 -0.01 0.04 0.01 0.01 0.05 0.02 -0.03 -0.05 0.03 -0.06 0.09 -0.01 0.01 -0.02 -0.01 0.03 -0.01 -0.03 0.00 -0.04 -0.03 -0.01 -0.04 -0.00 -0.02 -0.03 -0.00 -0.01 -0.02 -0.01 -0.02 -0.03 0.03 -0.12 -0.12 -0.14 -0.02 -0.10 0.03 -0.01 -0.01 0.03 -0.02 -0.00 0.11 -0.00 0.04 -0.01 0.01 0.03 -0.01 0.01 0.03 0.01 0.01 0.06 0.64 0.51 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 0.05 0.02 -0.02 -0.05 0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.04 -0.00 -0.03 -0.01 -0.03 -0.04 0.15 -0.03 -0.02 0.02 0.00 0.03 -0.06 0.02 0.02 -0.07 0.03 0.01 0.02 -0.01 0.00 -0.01 0.00 0.03 -0.04 0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.13 -0.02 -0.42 -0.17 -0.15 0.27 -0.12 -0.14 -0.28 0.01 -0.02 -0.03 -0.04 -0.10 0.00 -0.06 0.06 -0.03 0.11 0.45 0.28 -0.04 0.14 -0.14 -0.15 -0.14 -0.34 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.01 -0.00 -0.02 0.01 -0.02 0.00 0.04 -0.01 -0.09 -0.20 0.07 0.01 0.14 -0.08 -0.17 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.10 0.03 0.10 -0.03 0.01 0.05 0.14 -0.03 -0.02 -0.16 0.08 0.15 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 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.12 -0.01 0.03 -0.11 0.01 -0.03 0.01 -0.05 -0.13 -0.15 0.03 -0.05 -0.04 -0.04 -0.20 0.23 -0.04 0.13 0.07 0.05 0.25 -0.01 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 0.05 0.03 0.03 0.03 -0.04 -0.11 0.13 -0.03 -0.01 0.11 -0.05 -0.01 0.30 -0.07 0.14 -0.09 0.04 0.06 -0.09 0.04 0.06 0.03 0.11 0.46 -0.28 -0.18 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.05 0.02 0.09 -0.06 -0.03 -0.10 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.27 -0.14 -0.56 0.33 0.18 0.65 -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 0.00 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 -0.05 -0.01 0.02 0.01 0.04 -0.02 -0.12 0.25 -0.06 0.05 0.03 -0.04 -0.12 -0.01 -0.01 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.08 0.03 0.30 -0.08 -0.03 -0.21 0.07 0.03 0.16 -0.10 0.01 -0.05 0.01 -0.02 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 -0.03 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.11 0.00 -0.00 -0.07 0.02 0.05 0.00 0.04 0.15 -0.06 -0.00 -0.07 -0.01 -0.01 -0.03 -0.24 0.04 -0.13 0.03 0.03 0.14 0.06 -0.02 0.01 -0.02 0.01 -0.01 0.03 -0.00 0.03 -0.00 0.01 -0.01 -0.01 -0.03 -0.00 -0.04 0.06 0.02 -0.01 -0.03 -0.02 0.00 -0.01 0.01 0.02 0.02 0.03 -0.14 -0.04 -0.21 -0.19 -0.02 -0.28 -0.13 0.03 0.02 -0.11 0.05 0.02 -0.26 0.05 -0.13 -0.02 0.03 0.06 -0.02 0.02 0.06 0.03 0.04 0.17 0.08 -0.13 0.39 0.02 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.01 0.05 -0.18 0.02 0.10 0.03 -0.06 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.17 0.11 0.06 0.07 -0.10 -0.01 -0.04 0.02 0.04 0.02 -0.03 0.00 -0.03 0.01 -0.04 -0.03 0.23 -0.05 -0.01 -0.08 0.02 -0.12 0.07 0.04 0.04 -0.01 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.29 0.08 -0.04 0.05 -0.06 0.11 -0.16 -0.02 -0.20 -0.12 -0.06 -0.16 -0.02 0.24 -0.07 0.36 -0.43 -0.04 0.04 0.29 0.22 -0.06 0.04 -0.12 -0.12 -0.03 -0.14 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 -0.02 0.06 -0.01 0.04 -0.01 0.01 0.03 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.01 0.01 -0.00 0.07 0.00 0.06 -0.00 -0.00 -0.04 -0.41 0.06 -0.20 0.05 0.10 0.44 -0.01 -0.02 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.04 0.01 0.02 0.03 -0.00 0.02 0.05 -0.01 -0.02 0.35 -0.15 -0.26 -0.06 0.01 -0.02 -0.01 -0.01 -0.04 0.03 -0.01 -0.00 -0.02 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.01 -0.01 0.00 -0.02 0.03 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.02 -0.03 -0.03 -0.03 0.22 -0.20 -0.46 -0.04 0.01 0.00 -0.02 0.02 0.00 -0.03 0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.00 -0.03 -0.01 -0.01 -0.05 0.09 -0.03 0.09 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.02 -0.01 -0.03 -0.01 0.00 0.01 0.08 -0.02 -0.12 -0.18 0.02 -0.13 0.05 0.06 0.28 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.08 0.03 0.30 -0.14 0.00 -0.10 0.02 0.02 0.07 -0.04 -0.01 -0.06 -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 0.07 -0.01 -0.05 -0.07 0.03 0.06 -0.06 0.00 -0.04 0.10 -0.00 0.08 0.04 -0.01 -0.00 0.20 -0.04 0.06 -0.02 -0.07 -0.30 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.05 -0.06 -0.02 -0.02 -0.11 0.19 -0.00 0.10 0.12 -0.05 0.10 -0.08 0.01 0.02 -0.03 -0.08 -0.19 -0.01 -0.02 -0.21 -0.05 -0.01 -0.09 0.08 -0.13 0.39 -0.02 0.01 0.01 -0.03 -0.01 -0.01 -0.01 0.02 0.07 0.04 -0.05 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.06 0.15 -0.08 -0.03 -0.03 0.03 -0.09 -0.08 0.07 0.02 0.00 0.02 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.10 0.15 -0.10 -0.06 -0.06 0.06 -0.04 -0.01 -0.05 -0.05 -0.03 0.04 0.10 0.07 0.09 0.01 0.08 -0.04 0.00 -0.06 0.02 0.10 -0.07 -0.04 -0.05 -0.10 -0.05 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.40 0.17 -0.03 0.13 -0.01 -0.07 -0.09 0.12 0.05 0.25 -0.03 0.42 0.16 0.14 -0.08 0.21 -0.28 -0.05 0.07 -0.04 -0.13 0.05 0.08 0.01 -0.00 -0.21 -0.26 -0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.00 0.05 0.01 -0.01 -0.00 0.03 0.01 0.02 0.01 -0.02 -0.07 -0.04 0.05 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.09 0.03 0.04 0.02 -0.03 0.06 0.07 -0.05 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.12 0.07 -0.03 0.00 0.02 -0.10 0.03 -0.08 0.03 0.01 -0.02 0.14 0.06 0.16 -0.00 0.00 -0.01 0.03 0.04 -0.02 -0.09 0.05 0.04 -0.06 -0.10 -0.09 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 -0.37 0.17 -0.04 -0.10 0.09 -0.13 0.06 0.13 0.26 0.33 0.02 0.51 0.03 0.01 0.00 0.00 0.07 -0.02 0.03 -0.17 -0.22 0.05 0.01 0.03 0.04 -0.20 -0.20 -0.01 0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.01 -0.03 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.02 -0.00 -0.02 -0.06 0.01 -0.04 -0.04 -0.02 -0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 0.08 -0.01 -0.00 -0.03 -0.11 0.03 -0.00 0.08 -0.03 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.05 0.04 0.00 0.05 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 0.06 0.01 0.09 0.05 -0.01 0.01 -0.01 0.03 0.10 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.20 0.04 0.01 0.52 0.06 0.71 0.06 0.01 0.04 0.03 -0.01 0.04 -0.04 0.01 -0.00 0.05 0.04 0.10 0.04 -0.00 0.11 0.02 -0.03 -0.08 0.12 -0.02 0.18 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.05 0.02 0.05 0.09 -0.00 0.00 -0.00 0.08 -0.10 -0.11 0.00 0.02 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.10 0.10 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.04 -0.14 -0.38 0.05 0.15 -0.16 -0.01 -0.10 0.22 -0.23 0.22 -0.02 0.01 -0.02 0.06 -0.08 -0.05 0.06 -0.28 -0.33 0.20 0.25 0.43 0.23 -0.02 0.10 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.04 -0.02 0.02 0.09 0.04 -0.06 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.02 0.00 0.03 -0.08 0.01 -0.00 -0.02 0.01 0.00 -0.00 -0.00 0.03 -0.01 -0.01 0.00 0.00 0.02 -0.01 0.00 -0.00 -0.02 0.06 -0.00 0.07 0.01 -0.06 -0.06 0.14 -0.06 0.00 0.02 -0.01 -0.01 -0.07 0.13 -0.02 0.01 0.01 -0.02 -0.02 0.02 -0.00 0.01 -0.00 0.01 0.03 -0.08 -0.02 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.27 -0.08 -0.20 -0.45 0.07 0.07 0.39 -0.13 0.34 -0.03 0.22 -0.06 -0.11 -0.02 0.05 0.02 -0.06 0.00 -0.13 -0.21 -0.06 -0.04 -0.22 -0.02 0.06 0.14 0.24 0.09 -0.02 -0.02 -0.01 -0.01 -0.03 0.02 0.00 0.02 -0.00 -0.00 0.02 -0.05 0.01 -0.01 -0.02 -0.01 -0.02 -0.01 0.00 -0.02 -0.00 0.01 0.04 0.04 0.01 0.03 0.00 -0.00 -0.00 -0.01 0.03 -0.04 -0.01 0.02 0.11 0.04 -0.06 -0.02 -0.05 0.01 0.03 -0.03 -0.01 -0.06 0.02 -0.00 0.01 -0.03 -0.03 0.03 0.01 0.04 -0.02 0.03 0.02 -0.02 -0.01 -0.01 -0.08 0.14 -0.04 -0.09 -0.04 0.05 0.16 -0.09 0.01 -0.03 -0.02 -0.04 0.02 -0.01 0.00 0.01 0.01 -0.05 0.03 0.00 -0.01 0.00 0.01 0.03 -0.04 -0.00 -0.01 0.00 0.02 0.03 -0.02 -0.01 0.01 0.00 -0.01 -0.01 0.03 -0.02 0.01 0.03 -0.04 0.01 0.02 -0.04 0.03 0.08 -0.06 0.02 0.02 0.10 -0.04 -0.05 0.06 -0.02 -0.05 0.04 -0.01 -0.01 -0.13 0.04 0.08 0.14 -0.01 -0.04 -0.15 0.06 -0.11 0.03 -0.09 0.05 -0.04 -0.02 0.03 0.00 0.05 -0.01 0.06 0.07 0.01 0.02 0.09 0.02 -0.01 -0.07 -0.11 0.49 -0.15 -0.15 0.19 -0.03 0.06 0.18 0.02 0.18 0.05 -0.02 0.16 -0.41 0.07 -0.12 -0.09 -0.03 -0.09 -0.08 0.02 -0.10 -0.00 0.06 0.24 0.03 0.04 -0.06 0.01 -0.00 -0.00 -0.04 0.08 -0.14 -0.05 0.06 0.28 0.12 -0.18 -0.04 0.04 -0.01 -0.03 0.04 0.00 0.05 -0.01 0.00 -0.00 -0.07 -0.08 0.06 0.04 0.06 -0.04 0.07 0.02 -0.04 0.02 0.00 0.08 -0.04 0.02 0.08 0.04 -0.04 -0.13 0.05 -0.01 0.03 -0.05 -0.06 0.05 -0.00 0.01 0.00 -0.00 -0.06 0.03 -0.00 -0.02 0.00 0.03 0.04 -0.05 -0.01 -0.02 0.01 0.04 0.05 -0.03 -0.03 0.03 0.00 -0.02 -0.02 0.03 -0.04 -0.01 -0.07 0.01 -0.00 -0.02 0.04 -0.02 -0.04 0.03 -0.01 -0.00 -0.08 0.02 0.02 -0.06 0.02 0.03 -0.02 0.01 0.00 -0.20 0.07 0.12 0.14 -0.00 -0.05 -0.20 0.09 -0.14 0.05 -0.12 0.08 -0.17 -0.08 0.10 0.03 0.07 -0.03 0.07 0.08 -0.00 0.03 0.13 0.03 -0.02 -0.09 -0.14 -0.24 0.09 0.12 -0.24 0.01 -0.19 -0.13 -0.03 -0.13 -0.07 0.02 -0.14 0.31 -0.06 0.09 0.04 0.01 0.05 0.04 -0.01 0.05 0.00 -0.03 -0.12 0.14 0.02 0.21 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.00 0.03 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.01 -0.02 -0.02 -0.06 0.03 -0.04 0.05 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 0.04 0.03 -0.03 -0.00 -0.00 -0.01 0.07 0.03 -0.04 -0.06 -0.04 0.04 -0.05 -0.01 0.03 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 -0.03 -0.00 0.64 0.23 -0.38 -0.46 0.35 0.14 0.01 0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.02 0.02 -0.02 0.01 -0.04 -0.00 -0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.06 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.12 0.04 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.01 -0.02 -0.03 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.03 0.01 0.04 -0.52 0.29 -0.24 0.66 0.02 0.17 0.09 0.28 -0.09 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.00 0.01 0.03 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.06 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.13 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.03 -0.00 0.66 -0.05 -0.32 -0.58 -0.07 -0.29 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.06 -0.02 0.03 -0.00 0.02 0.08 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.04 -0.01 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.00 -0.03 0.02 0.00 0.03 -0.03 -0.01 -0.07 -0.08 0.01 -0.05 -0.04 -0.01 -0.06 -0.05 0.04 0.05 0.10 -0.03 -0.05 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 0.01 0.25 0.02 0.34 -0.08 -0.09 -0.13 -0.13 0.03 -0.19 0.38 -0.11 0.13 -0.22 -0.08 -0.18 -0.19 0.07 -0.23 0.01 0.14 0.54 0.08 0.00 0.10 -0.00 0.00 0.00 -0.01 -0.02 0.02 0.00 -0.00 -0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.13 -0.11 0.10 0.07 -0.04 -0.03 -0.02 -0.14 0.05 0.01 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.20 -0.04 0.16 0.06 -0.12 -0.07 -0.05 0.06 0.01 0.02 -0.01 0.05 0.07 -0.02 -0.00 -0.01 0.01 -0.00 -0.03 0.01 0.11 0.09 -0.08 -0.03 -0.05 0.03 0.03 0.00 0.03 0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.16 0.05 0.16 -0.30 0.17 -0.11 -0.10 0.18 0.08 0.00 -0.12 0.00 0.01 -0.01 -0.00 -0.47 0.44 0.12 0.09 0.10 -0.01 0.02 0.14 -0.00 -0.03 -0.15 -0.20 -0.03 -0.00 -0.01 0.06 0.00 0.08 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.02 0.00 0.02 0.02 -0.00 0.02 -0.00 -0.01 -0.03 -0.05 0.00 -0.06 0.00 -0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.01 0.02 0.03 -0.04 -0.01 -0.03 0.00 0.01 0.05 -0.00 0.05 0.11 -0.01 0.07 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.02 -0.01 -0.05 -0.07 0.00 -0.05 0.02 0.00 0.02 -0.04 0.02 0.03 -0.00 -0.02 0.01 -0.02 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.13 0.00 0.11 -0.00 0.00 0.01 -0.10 0.01 -0.06 -0.01 -0.02 -0.10 -0.03 -0.01 -0.05 -0.03 0.02 0.00 -0.09 0.01 -0.04 0.02 -0.01 -0.02 0.03 -0.02 0.02 0.01 -0.02 -0.01 0.00 0.02 0.00 0.03 0.01 -0.02 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.01 0.02 0.03 0.01 -0.02 -0.06 0.38 0.04 0.50 0.02 -0.04 0.01 -0.01 0.02 -0.01 0.09 -0.03 0.03 0.24 0.05 0.19 0.22 -0.06 0.21 -0.03 -0.10 -0.39 -0.20 0.01 -0.27 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.03 -0.11 0.04 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.07 -0.02 -0.02 -0.03 0.03 0.07 -0.02 -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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.00 -0.03 -0.07 0.02 0.03 0.03 -0.00 0.02 0.00 0.01 0.05 0.02 -0.01 -0.00 -0.02 0.03 0.11 -0.07 0.02 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.25 -0.07 -0.06 -0.06 -0.02 -0.12 -0.21 -0.10 -0.31 -0.13 0.02 -0.34 0.54 -0.10 0.19 0.17 0.05 0.13 0.14 -0.05 0.16 -0.01 -0.09 -0.34 0.08 -0.00 0.09 -0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 0.02 0.03 -0.04 -0.01 -0.05 0.00 0.02 -0.02 -0.02 -0.11 -0.11 0.01 -0.06 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.04 -0.01 -0.05 -0.13 0.01 -0.07 -0.05 0.03 0.05 0.05 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.01 -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 -0.00 0.19 0.00 0.15 0.03 -0.01 -0.02 0.02 0.01 0.06 0.07 -0.00 0.05 0.04 0.00 0.04 0.01 0.02 0.08 0.07 -0.01 0.04 -0.03 0.01 -0.02 0.04 -0.02 0.02 0.02 -0.02 0.00 0.00 0.01 -0.00 0.04 0.02 -0.02 -0.02 0.03 0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.01 0.01 0.01 0.02 -0.24 0.04 -0.05 -0.08 -0.01 -0.13 -0.14 -0.07 -0.22 -0.07 0.01 -0.24 0.29 -0.04 0.11 -0.21 -0.04 -0.17 -0.19 0.05 -0.19 0.03 0.07 0.28 -0.33 0.00 -0.42 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.05 -0.02 0.03 0.02 0.03 -0.02 0.01 -0.03 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.04 -0.01 0.02 -0.02 0.03 -0.01 0.03 -0.02 -0.01 -0.02 0.01 -0.01 -0.10 0.05 0.00 0.01 -0.01 0.01 0.01 -0.01 0.03 0.02 -0.02 0.01 0.07 -0.04 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.51 0.19 -0.13 0.52 -0.23 0.14 -0.02 -0.23 -0.23 -0.02 0.04 -0.05 0.07 0.04 -0.03 -0.12 0.16 0.03 -0.11 -0.17 -0.05 0.01 -0.15 0.09 0.09 0.15 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.02 -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 0.02 0.00 0.02 -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 0.08 0.08 -0.07 -0.10 0.07 0.03 0.04 0.12 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.22 -0.05 -0.10 -0.07 -0.01 0.04 -0.07 -0.14 0.08 0.03 -0.00 0.02 0.12 -0.02 -0.06 -0.08 0.00 0.04 -0.03 -0.14 0.06 -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 -0.00 -0.00 0.00 0.00 -0.33 0.10 0.03 -0.12 0.05 -0.00 -0.03 0.04 0.06 -0.09 -0.04 -0.17 -0.48 -0.24 0.31 -0.36 0.27 0.11 0.02 -0.03 -0.06 0.01 0.04 0.05 0.03 -0.06 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.01 0.01 0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.02 0.06 -0.04 0.04 -0.01 -0.02 0.01 -0.07 0.01 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.03 0.00 0.08 0.01 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.15 0.03 -0.00 -0.46 0.17 -0.08 -0.15 -0.13 -0.36 0.27 0.23 0.50 0.01 0.00 -0.01 -0.06 0.06 0.00 -0.10 -0.00 0.14 -0.08 -0.21 -0.18 -0.10 0.16 0.11 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.16 -0.06 -0.07 -0.14 0.02 0.07 -0.14 -0.08 0.10 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.08 0.00 0.10 0.11 -0.07 -0.04 -0.05 0.03 0.17 0.12 -0.12 0.01 -0.01 0.03 -0.02 -0.01 0.01 -0.00 -0.12 0.03 -0.11 0.21 -0.00 0.02 0.03 -0.03 0.02 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.32 0.11 0.10 0.11 -0.01 -0.03 -0.23 -0.10 -0.38 0.09 0.06 0.15 -0.41 -0.16 0.26 0.08 -0.21 0.02 -0.07 -0.06 0.01 -0.02 -0.12 -0.02 0.02 0.08 0.08 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.05 -0.02 -0.04 -0.00 0.00 0.00 -0.02 0.03 0.02 0.01 -0.01 -0.04 0.03 -0.05 -0.01 0.04 -0.01 -0.03 0.01 0.02 0.09 0.01 0.00 0.03 -0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.02 0.04 0.00 0.01 -0.00 0.01 -0.11 0.02 0.01 -0.09 0.07 0.19 0.37 -0.09 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.04 0.04 -0.03 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.02 0.01 0.01 -0.05 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.29 0.02 -0.21 0.26 -0.10 -0.10 -0.10 0.07 0.17 -0.18 0.00 -0.16 -0.01 -0.02 -0.06 -0.01 -0.00 -0.01 -0.04 0.02 0.01 0.03 -0.01 -0.00 -0.03 -0.00 -0.03 -0.02 -0.02 -0.04 -0.01 -0.00 0.01 0.06 -0.08 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.02 0.01 -0.01 -0.00 0.49 -0.12 -0.11 0.09 0.04 0.21 0.09 0.04 0.14 0.08 -0.01 0.16 -0.16 0.02 -0.08 -0.00 -0.00 0.04 0.01 0.02 0.03 -0.01 -0.01 -0.05 -0.07 -0.00 -0.07 0.01 -0.01 -0.00 0.04 -0.06 -0.06 -0.01 0.02 0.08 -0.06 0.09 0.03 0.01 -0.00 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 0.18 0.04 -0.11 -0.04 0.02 0.02 0.11 -0.23 0.00 -0.02 0.00 -0.01 -0.02 0.00 0.00 -0.02 0.01 0.04 0.05 -0.01 -0.00 -0.08 -0.02 0.05 -0.08 -0.05 0.05 -0.02 0.03 -0.01 -0.20 -0.19 0.16 -0.02 -0.00 -0.04 0.05 0.01 -0.03 0.02 0.10 -0.04 -0.05 0.33 -0.07 0.01 -0.01 0.00 0.02 -0.00 0.02 -0.03 -0.00 -0.04 0.04 -0.02 -0.03 -0.01 0.01 0.03 -0.03 -0.00 -0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.36 -0.14 -0.01 0.03 -0.02 0.04 0.06 0.03 0.09 0.13 0.04 0.21 -0.02 -0.01 0.01 -0.33 0.46 0.04 0.01 0.05 0.04 0.00 0.02 -0.03 -0.03 0.02 0.02 0.06 -0.01 -0.02 0.01 0.01 0.02 0.03 -0.01 0.03 0.06 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.08 0.02 0.08 -0.01 0.01 0.00 0.19 -0.26 -0.24 -0.08 0.10 0.36 -0.28 0.40 0.12 0.01 -0.00 -0.03 0.01 0.00 0.01 -0.02 0.00 0.00 -0.16 0.04 0.07 0.04 -0.01 -0.02 -0.03 0.11 -0.02 -0.06 0.01 -0.05 -0.07 0.01 -0.01 -0.01 0.01 0.03 0.04 -0.01 0.01 0.11 0.01 -0.05 0.05 -0.02 -0.03 0.03 -0.01 0.00 0.09 0.07 -0.07 0.01 0.00 0.03 -0.01 0.01 0.01 -0.03 -0.04 0.02 -0.01 -0.19 0.06 -0.01 0.00 0.01 0.10 -0.01 0.11 -0.03 -0.00 -0.04 0.02 -0.01 -0.02 0.03 -0.00 0.02 -0.03 0.00 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.22 0.08 -0.03 -0.15 0.05 -0.03 0.01 0.00 0.02 -0.13 -0.02 -0.20 0.03 0.02 -0.02 0.15 -0.23 -0.02 0.01 -0.03 -0.03 -0.01 0.00 0.01 0.01 -0.03 -0.04 0.02 -0.02 -0.03 0.05 0.01 0.09 0.02 -0.02 0.02 0.06 0.01 0.01 0.02 -0.00 -0.00 -0.03 -0.00 -0.03 -0.03 -0.00 -0.03 0.01 -0.01 -0.02 0.06 -0.00 0.12 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.06 0.00 0.01 -0.02 -0.00 -0.02 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.08 -0.02 -0.00 0.03 0.01 -0.14 0.03 -0.01 0.02 -0.03 -0.00 0.02 -0.00 -0.03 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.07 0.02 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.17 0.22 0.37 -0.18 0.12 -0.20 -0.01 -0.23 0.26 0.02 0.37 -0.12 -0.03 0.07 -0.07 0.08 0.02 -0.02 0.07 0.05 0.04 -0.01 0.02 0.02 0.07 0.12 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.04 0.01 -0.00 0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.04 -0.01 -0.03 -0.00 -0.01 -0.02 -0.06 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.06 0.01 0.00 0.07 -0.04 -0.08 0.04 0.01 0.07 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 -0.04 0.00 -0.00 -0.15 0.05 0.06 -0.05 0.03 0.07 0.15 -0.07 -0.12 -0.04 0.02 0.04 0.01 -0.00 0.01 0.04 -0.00 0.02 -0.06 0.02 -0.03 0.02 -0.01 0.01 0.09 0.03 0.14 0.03 0.02 0.05 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.06 0.04 0.03 0.06 0.01 -0.02 0.01 0.03 0.78 -0.19 -0.15 0.10 0.04 0.24 -0.06 0.02 -0.07 -0.07 -0.01 -0.05 -0.07 0.02 -0.01 -0.14 -0.03 -0.10 -0.12 0.04 -0.11 0.04 -0.02 -0.02 -0.05 -0.01 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.02 0.00 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.02 0.03 0.02 0.04 -0.00 -0.02 -0.09 -0.05 -0.13 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.02 -0.04 0.01 0.01 0.00 0.00 0.02 -0.01 -0.01 0.01 -0.00 0.00 -0.03 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.25 0.08 -0.12 0.17 -0.08 0.10 0.37 0.11 0.59 0.23 0.12 0.36 -0.09 -0.02 0.05 -0.01 0.01 0.01 0.01 0.18 0.15 0.07 0.16 0.01 -0.10 0.06 0.10 -0.12 0.03 0.02 -0.01 -0.00 -0.02 -0.02 0.02 -0.01 -0.03 -0.01 0.00 -0.02 -0.00 -0.00 0.03 0.00 0.03 0.03 -0.00 0.03 -0.01 0.01 0.02 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.04 -0.01 -0.04 0.00 0.02 0.09 -0.07 -0.03 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.05 -0.08 0.05 0.16 0.03 -0.08 -0.10 0.00 0.03 -0.13 0.17 0.02 -0.01 -0.01 -0.04 0.01 -0.13 0.03 -0.13 0.07 0.05 0.08 -0.03 -0.03 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.03 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.03 0.01 0.11 0.18 -0.08 0.07 -0.03 0.01 -0.02 0.18 0.03 0.27 0.50 0.02 -0.25 0.34 -0.43 -0.06 -0.01 0.06 0.06 0.03 0.02 0.01 -0.02 0.05 0.08 0.05 -0.01 -0.01 0.00 -0.00 -0.00 0.03 -0.01 0.03 0.03 0.01 0.03 0.04 -0.01 0.01 -0.02 0.00 -0.04 -0.02 -0.01 -0.03 0.01 -0.01 -0.04 0.07 0.02 0.06 0.00 -0.01 -0.00 -0.02 0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.24 0.31 0.04 0.07 -0.11 -0.01 0.02 -0.05 -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 0.17 -0.27 -0.01 0.07 -0.02 -0.02 -0.08 0.03 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.03 0.00 0.10 -0.03 0.06 -0.14 0.01 -0.05 0.10 0.00 -0.01 -0.03 -0.03 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 0.04 -0.01 0.02 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.21 -0.01 0.20 0.12 -0.16 0.15 -0.08 0.05 0.01 0.13 0.06 0.16 -0.30 0.00 0.16 -0.31 0.23 0.10 0.00 0.19 0.09 0.11 0.12 0.09 0.02 0.07 0.20 0.07 -0.01 -0.01 0.01 -0.00 -0.00 0.06 -0.03 0.06 0.07 0.02 0.03 0.08 -0.02 0.01 -0.04 0.00 -0.06 -0.04 -0.01 -0.05 0.02 -0.02 -0.07 0.05 0.02 0.03 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.06 0.06 -0.00 0.04 -0.03 0.04 0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.01 0.03 0.00 0.03 0.02 -0.01 -0.01 0.01 -0.03 -0.09 0.10 -0.02 0.01 0.03 -0.03 -0.01 0.03 -0.00 -0.01 -0.03 0.00 0.00 -0.03 0.01 0.01 0.01 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.03 0.01 0.02 0.06 0.03 0.18 -0.18 0.02 -0.10 -0.03 0.01 0.02 0.05 -0.01 0.03 -0.02 -0.01 -0.07 0.08 -0.02 0.05 0.02 -0.01 0.01 -0.07 -0.01 -0.09 0.02 -0.00 0.03 0.06 0.01 -0.03 0.02 -0.03 -0.00 0.00 0.05 0.01 0.02 0.00 0.03 0.03 0.02 0.06 -0.17 0.03 0.03 -0.06 0.01 0.01 -0.18 0.03 -0.24 -0.18 -0.04 -0.22 -0.33 0.11 -0.05 0.15 -0.02 0.28 0.17 0.08 0.25 -0.07 0.10 0.34 -0.28 -0.03 -0.28 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -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 0.00 -0.02 0.01 0.00 -0.01 -0.00 0.00 0.03 -0.02 -0.01 -0.00 -0.00 0.00 0.02 0.02 0.04 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.04 -0.08 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 0.03 0.02 -0.14 0.04 -0.03 -0.07 -0.02 -0.11 -0.10 -0.02 -0.14 0.03 0.00 -0.02 0.02 -0.01 -0.01 -0.02 0.48 0.23 0.32 0.30 0.32 0.08 0.17 0.53 -0.03 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 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 0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.02 0.01 -0.02 0.00 -0.03 -0.01 -0.01 -0.05 -0.03 -0.00 -0.04 0.04 -0.01 -0.02 -0.07 -0.03 0.04 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.02 -0.00 0.07 -0.01 -0.03 -0.00 -0.00 -0.00 0.04 -0.00 0.05 -0.04 0.04 0.15 0.05 -0.03 -0.08 -0.06 -0.00 -0.07 0.04 0.02 0.12 -0.04 0.01 -0.04 -0.01 -0.01 -0.05 -0.03 0.02 0.01 -0.01 -0.02 0.02 0.02 0.00 0.02 -0.01 -0.00 -0.01 -0.05 -0.00 0.03 -0.05 0.04 0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.01 -0.00 0.01 0.19 -0.07 -0.09 -0.23 -0.01 -0.25 0.22 -0.05 0.27 0.25 0.05 0.27 0.37 -0.15 0.05 0.11 -0.03 0.27 0.14 0.10 0.23 -0.06 0.10 0.35 0.07 0.01 0.04 -0.02 0.01 0.01 0.02 -0.00 -0.02 -0.00 0.01 0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.01 0.05 0.08 -0.05 -0.00 -0.07 0.02 -0.10 0.08 0.03 -0.00 0.01 0.00 -0.01 0.01 0.03 0.02 -0.00 0.01 -0.01 0.01 0.01 -0.32 -0.14 0.22 -0.04 0.05 0.01 0.01 -0.01 -0.00 0.03 0.03 -0.02 0.00 -0.00 -0.00 -0.01 0.05 -0.01 0.09 -0.10 -0.02 0.35 -0.07 -0.17 0.00 0.00 0.01 -0.02 -0.00 -0.00 0.02 -0.02 -0.08 -0.01 0.02 0.07 0.01 0.00 0.02 -0.03 -0.01 -0.06 0.04 -0.01 0.03 -0.00 0.00 0.01 -0.02 0.00 -0.01 0.03 0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.24 -0.02 0.13 -0.22 0.21 0.06 -0.00 -0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.03 -0.08 0.03 0.04 0.12 0.01 0.14 -0.19 0.06 -0.23 -0.22 -0.05 -0.23 -0.31 0.13 -0.05 -0.01 0.02 -0.09 -0.03 -0.05 -0.07 0.02 -0.03 -0.10 0.10 0.02 0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 0.00 -0.01 0.03 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.02 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.03 0.00 0.03 0.01 -0.07 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.02 0.01 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.02 0.01 0.33 0.55 -0.30 -0.42 0.41 0.05 -0.02 0.00 -0.01 -0.03 0.00 0.02 0.01 -0.02 0.02 -0.02 -0.01 0.12 0.03 -0.09 -0.07 -0.00 -0.10 0.07 -0.02 0.04 -0.07 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.06 -0.08 0.05 0.01 0.07 -0.06 -0.11 0.03 -0.07 -0.00 -0.07 -0.07 -0.01 -0.07 0.03 -0.04 -0.13 -0.06 -0.01 -0.07 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.02 0.01 -0.00 -0.00 -0.03 -0.00 -0.04 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.09 0.03 0.05 0.01 0.01 0.04 -0.02 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.00 0.00 0.08 -0.04 -0.10 -0.07 0.02 -0.00 0.04 0.00 0.04 0.04 -0.01 -0.01 0.01 0.00 0.02 -0.03 -0.01 -0.06 -0.00 0.11 0.19 -0.10 -0.14 0.14 0.03 -0.02 -0.01 -0.00 -0.02 0.01 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.07 0.01 -0.06 -0.04 0.01 -0.07 0.03 -0.00 0.03 0.31 -0.06 -0.03 0.06 -0.01 0.00 -0.04 -0.02 -0.07 -0.04 -0.01 -0.10 -0.07 0.05 -0.01 0.28 0.01 0.29 0.29 0.01 0.29 -0.12 0.15 0.54 0.14 0.02 0.16 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.01 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 0.42 0.03 0.26 -0.39 0.10 -0.27 0.16 0.68 -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.02 -0.00 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.04 0.00 0.05 0.01 0.00 0.03 0.02 -0.00 0.01 0.00 0.00 0.01 -0.02 -0.00 0.01 0.00 -0.02 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -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 -0.05 0.01 -0.06 0.01 -0.02 -0.07 -0.04 0.03 0.06 0.00 0.00 0.01 0.01 -0.01 -0.02 -0.07 0.03 -0.01 0.00 -0.00 -0.00 -0.02 -0.03 -0.07 0.02 0.04 -0.04 -0.03 0.03 0.04 0.01 0.06 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.03 0.06 -0.00 0.05 0.35 -0.49 0.05 0.59 0.15 -0.00 0.13 -0.14 0.06 -0.05 -0.02 0.07 -0.03 0.07 0.04 0.01 -0.00 -0.02 -0.28 -0.02 -0.27 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.03 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.05 0.01 0.00 0.00 -0.00 0.03 -0.01 -0.01 0.01 -0.04 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.01 0.01 0.01 -0.01 -0.02 0.02 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 -0.00 0.04 -0.00 0.02 -0.05 -0.02 0.02 -0.34 0.22 0.18 0.07 0.42 -0.11 0.04 0.02 -0.01 0.03 -0.04 -0.01 0.02 0.20 0.08 -0.04 -0.32 0.12 0.32 -0.18 -0.06 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.08 0.06 0.21 -0.05 -0.02 -0.28 0.07 0.35 -0.11 -0.05 -0.02 0.05 -0.04 0.07 0.02 0.01 -0.00 -0.04 0.03 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -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 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.03 0.02 0.01 -0.00 -0.00 0.00 0.02 0.03 -0.02 -0.03 0.03 0.22 -0.14 -0.12 -0.05 -0.27 0.07 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.06 -0.11 -0.11 -0.01 0.23 -0.15 -0.18 0.12 0.09 -0.02 0.00 0.00 -0.01 0.00 -0.01 0.18 0.00 0.31 0.02 -0.00 -0.45 0.11 0.52 -0.16 -0.10 -0.04 0.07 -0.06 0.11 0.04 0.01 -0.03 -0.06 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 0.01 -0.00 0.04 -0.02 -0.04 -0.02 -0.00 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.02 0.02 -0.01 -0.00 0.01 -0.01 0.02 0.00 0.07 0.05 -0.04 -0.04 -0.04 -0.04 0.08 -0.03 0.03 -0.02 0.01 0.01 0.01 -0.00 -0.00 -0.09 0.04 -0.10 -0.06 -0.01 0.10 -0.06 -0.12 0.04 -0.44 -0.19 0.46 -0.25 0.54 0.27 0.05 -0.07 -0.19 0.05 0.01 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.06 0.01 -0.03 0.03 -0.14 0.02 0.05 0.02 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 -0.02 -0.05 0.25 -0.04 0.04 -0.03 -0.02 -0.12 0.04 0.06 -0.02 0.01 -0.02 -0.06 -0.04 0.04 0.09 -0.04 -0.04 -0.06 -0.06 0.05 -0.02 0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.00 0.00 0.01 -0.27 0.21 0.18 0.02 -0.14 0.10 0.14 -0.03 0.03 -0.01 -0.10 0.04 -0.06 -0.04 0.04 -0.10 0.15 0.01 -0.09 0.18 0.17 0.02 -0.37 0.24 0.30 -0.20 -0.15 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.14 -0.12 0.11 0.12 0.03 -0.24 0.01 0.22 -0.07 0.05 0.03 -0.07 0.02 -0.07 -0.05 -0.00 0.01 0.00 -0.04 -0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.04 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.04 -0.06 -0.12 0.07 0.08 -0.09 0.00 -0.04 -0.03 0.01 0.03 0.05 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.51 0.24 -0.36 -0.26 0.01 -0.40 0.35 -0.03 0.34 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.03 -0.00 -0.00 0.06 0.05 -0.03 0.01 0.06 0.03 -0.09 0.02 -0.09 -0.07 0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.01 -0.04 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 0.06 -0.01 0.01 -0.01 -0.01 -0.03 0.01 0.02 0.03 -0.06 0.01 -0.02 -0.01 0.01 0.03 -0.01 -0.01 -0.01 -0.02 0.01 0.02 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.08 0.06 0.05 0.01 -0.05 0.03 -0.42 0.20 0.14 0.05 0.45 -0.19 0.02 0.00 0.00 -0.02 0.04 0.00 0.04 -0.23 -0.14 0.01 0.39 -0.21 -0.36 0.21 0.11 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.06 -0.04 0.03 0.01 -0.08 -0.07 0.03 -0.01 -0.02 -0.01 0.02 -0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.05 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.02 0.00 0.02 0.01 0.00 0.02 0.02 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.03 0.00 -0.03 0.00 -0.01 -0.06 -0.01 0.03 0.08 0.01 -0.00 -0.00 -0.01 -0.00 -0.03 -0.01 -0.03 -0.05 -0.00 -0.00 -0.00 -0.01 0.05 0.09 -0.03 -0.06 0.05 -0.04 0.02 0.01 0.01 0.04 -0.02 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.04 -0.05 0.01 0.02 0.04 0.01 -0.07 0.02 -0.02 -0.05 0.02 0.03 0.06 0.00 0.08 -0.04 0.46 0.43 -0.25 -0.07 0.36 0.55 -0.01 0.01 0.00 -0.00 0.02 0.01 0.01 0.02 -0.00 0.00 0.02 -0.14 -0.01 -0.12 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.04 0.01 0.04 0.03 0.01 0.06 -0.07 0.00 -0.06 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.00 0.05 0.13 -0.03 -0.04 0.02 -0.01 -0.00 -0.03 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.06 -0.13 0.05 0.08 -0.02 -0.02 -0.11 0.18 -0.01 0.11 -0.03 -0.01 -0.05 0.01 -0.01 0.00 -0.02 -0.01 -0.04 0.00 -0.03 -0.04 0.03 0.03 -0.03 0.02 -0.00 0.01 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.01 0.01 0.00 0.04 0.04 -0.02 -0.02 -0.01 -0.02 0.04 -0.02 0.02 -0.33 0.07 0.04 0.08 0.00 0.08 -0.10 0.09 -0.05 -0.14 -0.03 -0.04 -0.12 0.05 -0.03 0.17 -0.01 0.22 0.18 0.03 0.21 -0.08 0.11 0.36 -0.40 -0.05 -0.43 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.02 -0.00 -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 -0.06 -0.00 -0.07 0.07 -0.02 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.04 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.07 -0.01 0.05 -0.10 0.01 -0.05 0.06 0.02 0.11 0.10 -0.03 -0.04 -0.08 0.01 -0.04 -0.02 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 0.02 0.02 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.47 0.10 0.08 0.09 0.03 0.21 0.14 -0.16 0.04 0.21 0.05 0.01 0.07 -0.04 0.01 0.08 -0.00 0.09 0.09 0.01 0.08 -0.03 0.05 0.17 0.48 0.04 0.49 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.08 0.03 0.05 -0.02 -0.02 0.08 -0.07 -0.02 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 0.02 -0.00 -0.19 0.01 0.09 0.04 -0.01 -0.02 -0.11 0.26 -0.02 0.00 -0.00 0.01 0.34 0.05 -0.19 -0.16 -0.08 0.11 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.00 0.02 -0.02 0.01 -0.05 -0.59 -0.30 0.37 -0.15 -0.14 0.12 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.04 -0.01 -0.04 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.04 -0.01 0.01 0.00 -0.01 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.00 -0.07 -0.01 -0.00 -0.04 0.17 -0.10 -0.23 0.22 -0.08 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.06 -0.00 0.11 -0.11 0.06 0.15 -0.37 0.12 0.09 -0.16 0.14 0.39 0.13 -0.08 -0.16 -0.03 0.01 0.00 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.03 -0.01 0.02 0.09 -0.02 -0.08 0.06 0.05 -0.08 -0.00 -0.02 0.25 -0.09 -0.07 0.06 -0.04 0.08 0.08 0.03 0.05 0.13 -0.03 0.03 -0.06 0.01 -0.02 -0.06 0.01 -0.02 0.01 -0.04 -0.14 0.31 0.03 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 0.02 -0.00 -0.02 -0.03 0.00 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.01 -0.02 -0.09 -0.01 -0.14 -0.15 0.01 -0.10 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.25 0.01 0.28 0.27 -0.03 0.16 0.08 0.03 0.19 -0.24 -0.01 -0.27 -0.02 -0.00 -0.02 -0.01 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.02 0.03 -0.01 -0.00 -0.01 -0.00 0.04 -0.00 0.04 0.51 -0.13 -0.14 0.17 0.04 0.31 0.09 -0.07 0.07 0.12 0.03 0.03 0.03 -0.01 -0.02 -0.01 -0.03 0.13 0.02 0.09 0.10 -0.03 0.01 0.02 -0.05 -0.01 -0.07 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.08 -0.09 -0.01 -0.10 0.21 -0.01 0.09 -0.02 -0.04 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.04 0.01 -0.02 0.08 -0.29 0.04 -0.01 0.03 -0.00 -0.24 0.36 0.02 -0.00 0.01 0.00 -0.18 0.11 0.07 0.30 -0.30 -0.08 -0.04 -0.09 0.05 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.18 -0.08 -0.05 -0.10 0.03 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.21 -0.08 -0.36 0.38 0.09 -0.00 0.01 0.01 -0.00 -0.02 0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.03 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.25 -0.05 -0.28 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 0.06 -0.01 -0.05 0.08 -0.02 -0.04 -0.01 0.01 0.02 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.41 0.09 0.50 0.00 0.00 -0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.50 0.09 0.07 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.20 0.04 -0.34 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.04 0.00 -0.00 0.00 0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.11 -0.05 -0.07 -0.42 -0.43 0.23 0.51 -0.25 -0.40 0.10 0.23 0.00 -0.01 0.00 0.00 0.00 -0.00 0.05 -0.03 0.05 0.01 -0.00 -0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.04 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.24 0.11 0.08 0.48 0.49 0.21 0.48 -0.23 -0.18 0.04 0.10 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.13 -0.08 0.12 -0.15 0.05 0.09 0.02 0.05 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.06 0.03 0.02 0.13 0.14 0.04 0.09 -0.04 -0.15 0.04 0.08 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.36 0.21 -0.35 0.59 -0.18 -0.34 -0.14 -0.29 0.15 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.14 0.60 0.09 -0.38 -0.38 0.35 0.42 -0.08 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 -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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.43 -0.32 0.30 -0.12 0.65 0.02 0.03 -0.14 -0.41 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.00 -0.00 0.00 -0.07 -0.02 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 0.04 -0.02 -0.11 -0.12 0.16 0.42 -0.19 0.68 -0.20 -0.38 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.12 0.08 -0.13 -0.05 0.01 0.03 -0.06 -0.14 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.05 0.02 -0.00 -0.02 -0.02 0.01 0.02 -0.01 0.17 -0.05 -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 0.47 -0.28 0.49 0.52 -0.16 -0.32 -0.00 0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.08 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.34 0.77 -0.40 0.03 0.18 0.20 0.05 0.11 -0.06 0.06 -0.02 -0.03 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.04 -0.02 0.04 0.00 0.00 -0.00 -0.04 -0.08 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.03 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.09 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.17 0.68 0.11 0.43 0.40 -0.38 0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.09 0.02 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.03 0.05 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.50 0.35 -0.36 -0.14 0.68 0.03 -0.01 0.01 0.08 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.06 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 0.01 -0.00 -0.00 0.00 -0.00 0.03 0.07 -0.04 0.00 0.01 0.01 0.04 0.11 -0.05 0.06 -0.02 -0.04 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.19 0.10 -0.17 0.19 -0.07 -0.11 0.36 0.76 -0.35 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.02 0.02 0.01 -0.05 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.30 -0.04 0.16 0.18 -0.16 0.87 -0.16 0.18 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.03 -0.09 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.24 -0.19 0.16 -0.04 0.24 -0.01 -0.07 0.29 0.85 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.07 0.00 0.02 0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.33 0.85 -0.05 -0.23 -0.27 0.19 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 0.00 -0.05 -0.05 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.15 0.37 -0.02 0.52 0.61 -0.44 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 0.03 0.05 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.77 -0.33 -0.53 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 0.02 0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.68 -0.33 -0.65 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.07 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.21 0.10 0.97 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 17 16 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 17 16 8 8 8 8 8 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 31.97207 15.99491 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 455.07787 0.99994 8.3E-4 0.01069 -7.9E-4 0.99999 -0.00376 -0.0107 0.00375 0.99994 asymmetric 1 0.01095 0.00484 0.00432 0.22819 0.10082 0.09003 937442.1 28.27 34.73 44.61 63.14 80.44 90.74 108.35 119.01 138.06 139.95 151.60 174.23 201.86 213.85 222.41 239.83 260.35 268.71 294.62 299.74 321.82 326.47 350.39 361.44 368.59 383.47 394.92 442.43 479.99 502.06 506.60 521.99 535.98 558.32 568.49 615.40 637.82 678.43 715.69 748.97 794.39 828.13 865.99 884.44 903.84 908.39 938.28 957.63 978.38 1001.61 1007.39 1018.89 1055.37 1077.17 1083.55 1093.19 1117.35 1142.82 1172.38 1192.70 1211.68 1223.86 1258.93 1264.20 1308.93 1343.59 1424.11 1432.68 1436.23 1452.58 1476.08 1492.97 1514.61 1546.57 1578.56 1596.03 1607.98 1612.96 1663.75 1669.65 1686.81 1708.19 1738.91 1749.46 1756.85 1781.57 1797.81 1822.21 1857.78 1885.35 1903.09 1906.14 1921.96 1962.77 1977.33 1981.82 2009.14 2022.22 2023.79 2045.17 2079.27 2084.50 2128.35 2134.53 2138.64 2143.54 2151.09 2152.00 2154.28 2159.32 2162.81 2169.25 2177.70 2205.46 2215.79 2270.71 2312.96 2352.53 2380.24 2571.06 4345.80 4358.30 4366.32 4378.79 4385.32 4396.41 4448.12 4462.67 4484.82 4498.16 4501.51 4534.44 4545.12 4597.21 4625.11 4662.16 4689.04 5203.43 0.357053 0.385242 0.386186 0.296818 -2238.382145 -2238.353956 -2238.353012 -2238.442380 241.743 104.719 188.090 0.000 0.000 0.000 0.889 2.981 44.235 0.889 2.981 36.294 239.965 98.758 107.561 1 0.593 1.986 6.669 2 0.593 1.985 6.261 3 0.594 1.984 5.764 4 0.595 1.980 5.076 5 0.596 1.975 4.597 6 0.597 1.972 4.359 7 0.599 1.965 4.010 8 0.600 1.961 3.825 9 0.603 1.952 3.535 10 0.603 1.951 3.508 11 0.605 1.945 3.353 12 0.609 1.932 3.083 13 0.615 1.913 2.800 14 0.618 1.904 2.690 15 0.620 1.898 2.615 16 0.624 1.883 2.472 17 0.630 1.866 2.319 18 0.632 1.858 2.260 19 0.640 1.833 2.090 20 0.642 1.828 2.058 21 0.649 1.805 1.929 22 0.651 1.800 1.903 23 0.659 1.773 1.777 24 0.663 1.761 1.722 25 0.666 1.752 1.688 26 0.672 1.735 1.619 27 0.677 1.720 1.568 28 0.697 1.659 1.376 29 0.715 1.608 1.243 30 0.726 1.577 1.171 31 0.729 1.571 1.157 32 0.737 1.549 1.110 33 0.744 1.529 1.069 34 0.756 1.496 1.008 35 0.762 1.481 0.981 36 0.789 1.410 0.866 37 0.803 1.376 0.816 38 0.828 1.313 0.733 39 0.853 1.256 0.665 40 0.876 1.204 0.609 41 0.907 1.135 0.540 42 0.932 1.084 0.494 43 0.960 1.028 0.446 44 0.974 1.001 0.425 0.508138e+28 27.705982 63.795380 0.698319e+12 11.844054 27.271941 0.100000e+01 0.000000 0.000000 0.381577e+09 8.581582 19.759824 0.190698e+08 7.280345 16.763615 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.5850 6.4255 -0.5783 9.9576 -197.8403 -180.1146 -188.5254 13.9005 9.9397 1.1058 -9.0135 8.7121 0.3014 13.9005 9.9397 1.1058 -132.5865 68.0924 5.8571 -18.9436 -7.9955 -43.1009 -62.0906 -6.2692 -6.0210 -7.0893 -10410.6139 -3631.1230 -2146.5255 -44.4126 415.3186 121.1796 -25.5232 88.8153 24.3727 -2402.3920 -2015.4955 -1017.3268 98.6273 -23.5262 37.6964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2238.7391978 4.407E-9 7.764E-6 0.3570528 0.3852415 -2238.3539563 -2238.3530121 -2238.4423796 -7.512877,5.006293,2.506584,-5.3277839,10.9814699,-3.5605191 C01[X(C16H18Cl1N7O5S1)] 3.0944756 2.2301765 -0.8934443 -0.5634456 -0.2864161 0.2870193 -0.3167119 -0.1157021 0.150037 0.3443182 0.1569742 -0.1703933 2.5847309 -0.2151114 0.4323608 0.0251956 2.6892989 -0.0919306 0.3778076 0.0374875 1.8544675 -0.6868008 0.1712432 0.0383934 0.0274208 -0.8200123 -0.1037681 -0.0903646 -0.3543041 -0.9544615 -0.8366275 -0.2208835 0.0358764 -0.2341306 -0.9940456 0.1582918 0.1557468 0.2603846 -0.5576098 -1.0636549 0.1283912 0.3993448 0.0770241 -0.3807449 -0.180559 0.3046057 -0.0540339 -0.9662056 -0.6995647 -0.154191 -0.4057034 -0.1493799 -0.4111414 -0.3362036 -0.5187548 -0.4167023 -1.4606135 -1.5230427 -0.2544288 -0.7840915 -0.3899754 -0.3757122 -0.3034311 -0.7479871 -0.2118339 -0.9998097 -0.5082089 0.0734358 0.2198951 0.5272029 0.5017042 -0.3334403 0.2397539 -0.138476 0.0114062 -0.130492 0.0812651 -0.0348426 0.0087562 -0.3124169 0.0473283 -0.050561 -0.0003217 -0.1406079 -0.6886522 -0.1806864 0.2187937 -0.040337 -0.7707364 0.1688563 0.2497361 0.1892586 -0.3522681 -1.5583301 0.1641054 -0.3814642 -0.2624253 -0.6415932 -0.3125978 -0.525575 -0.0652398 -1.0470137 -2.0436808 0.0632575 0.4225232 -0.1566543 -0.2986468 0.040702 0.3081444 0.0278664 -0.5585029 -1.1140403 0.0225788 0.1582004 -0.0200709 -0.2765428 -0.159134 0.4924593 -0.1706657 -1.0760296 -1.6840165 -0.0532718 0.0975285 -0.2167256 -0.293932 -0.0327789 0.0539231 -0.0596123 -0.5908188 -0.60392 -0.0936734 0.1164365 0.0460648 -0.7602004 0.1247197 0.1461693 0.0950305 -0.2460936 0.53586 0.0680165 -0.1823622 -0.3105547 0.1011752 0.0848456 -0.1906703 -0.0655967 0.1159415 0.025457 -0.0369771 0.0284195 -0.1140883 0.0581965 -0.0160743 0.0183244 -0.0126096 0.0769051 0.5967043 0.2999818 -0.2740157 -0.253236 -0.395397 0.2211444 -0.1829281 -0.0777837 0.2466332 0.134214 -0.0033722 0.0041352 0.0632138 0.1517491 -0.0444897 0.0846353 0.0071131 0.0814141 -0.4368838 -0.1397253 0.1470939 0.1890345 0.0049365 -0.0973067 0.1202928 0.0608455 -0.1626856 0.2036788 0.1201201 -0.1573159 0.0461109 0.3153667 -0.0904648 -0.1489155 -0.1209965 0.0222116 1.268905 0.2213389 -0.5413026 0.3447778 0.6595755 -0.2662945 -0.7288232 -0.2000531 0.3536434 0.0660346 0.0044462 -0.0039814 -0.0077639 0.0736853 0.0128313 -0.0298309 0.018146 0.0170465 2.3572856 -0.1332506 -0.4653795 0.3760474 0.4400791 0.4556467 0.4949777 0.1768226 1.4825848 1.9548032 0.0383361 -0.3430389 0.0520021 0.3186874 0.1214213 -0.6877425 0.0785205 1.0551304 1.1533222 0.1392355 0.3527722 0.1740863 0.3598527 0.3834918 0.1988168 0.4803152 1.7491053 2.0368784 0.2590145 0.6308398 0.4305846 0.3262554 0.3253057 0.5047332 0.2724816 1.201149 -0.6524205 -0.1281898 -0.4700303 -0.1525431 -0.3199088 -0.2133213 -0.456641 -0.183795 -0.7642876 0.6135111 0.1614812 0.3449743 0.1171491 0.3124547 0.1536712 0.1659844 0.1101146 0.4606707 0.4120999 0.0353758 0.14226 0.1126407 0.3071582 0.1348204 0.4717199 0.1400748 0.8072655 -0.0198503 -0.0001681 0.0204076 0.0353568 -0.0617732 -0.0201812 -0.0031003 0.0113219 0.0616175 -0.0414677 -0.0159722 -0.017604 0.0090141 0.0532709 0.0527402 -0.0049153 0.0406633 -0.1128378 0.0396525 0.1015195 -0.0420702 0.0559657 -0.144199 0.0246751 -0.0376447 0.0086226 0.0189419 -0.1537988 -0.0504676 0.1003599 -0.001315 0.0646287 -0.0163072 0.0464343 0.0023146 -0.0270353 0.083132 -0.0611963 0.0468971 -0.0463674 0.0069369 0.0405022 0.0415924 0.0368186 0.0968015 0.0696554 0.0409387 0.0168271 0.0334412 0.0405553 0.0009375 0.0252254 -0.0049979 0.1167155 -0.0541509 -0.0953122 -0.0780677 -0.082643 -0.0075513 -0.0420476 -0.085195 -0.0456098 0.000456 -0.0620971 0.0126051 0.0850631 0.0021601 0.0484477 0.026685 0.092527 0.0320022 -0.0275263 0.0173881 0.0279544 -0.0068541 0.0468005 -0.0803441 0.0184521 0.0064963 -0.026258 -0.0046163 0.1061609 -0.0161403 0.0165697 -0.0028045 0.2436628 -0.0393145 0.0113807 -0.028348 0.2782892 0.0501317 -0.0142997 0.0332962 -0.0309092 0.1637544 -0.0075108 0.0380158 -0.0142712 0.0640444 -0.0082278 -0.007677 -0.0726936 0.0406082 -0.0276225 -0.0521779 -0.000648 -0.0217798 0.051453 0.0035239 -0.0409185 -0.0863972 -0.0529521 -0.033327 0.028437 0.0012389 0.095803 0.0204205 0.0416685 -0.0014537 0.0278645 -0.0196325 0.0865275 -0.0185817 -0.0132122 -0.0532449 -0.1080524 0.0815413 -0.0467572 0.0520519 -0.0301518 -0.0498871 0.0733339 -0.0735996 0.008667 -0.0616908 0.0346639 0.0983633 0.0450219 0.0449593 -0.0500361 -0.0502765 -0.0775091 -0.0187069 -0.0274124 -0.1235393 -0.0480093 -0.071988 -0.0464886 0.0843959 -0.0244756 -0.0102203 -0.010785 0.0445312 0.7859103 -0.0344544 -0.102023 0.0522432 0.2091175 0.0037909 -0.3302213 0.0083768 0.1277268 364.342549|24.457986|259.9131058|-26.0563246|-10.9848684|254.7856832 0.000005575 0.000001767 -0.000004204 -0.000004820 -0.000010286 0.000002718 -0.000005191 0.000005266 0.000012106 0.000011136 0.000011260 -0.000008410 -0.000007374 0.000004973 0.000009383 0.000010394 -0.000001099 0.000021460 -0.000014257 -0.000002653 -0.000003492 0.000004455 0.000008554 0.000004616 -0.000007393 0.000002488 -0.000001881 -0.000008567 -0.000000889 0.000009528 -0.000022314 -0.000020124 -0.000019089 0.000002391 -0.000003156 0.000001784 -0.000007727 -0.000002620 -0.000000826 -0.000000852 -0.000002870 0.000003300 0.000023085 -0.000021564 -0.000022829 0.000005008 -0.000018891 -0.000000557 -0.000001206 0.000005901 0.000004482 0.000010600 -0.000000116 -0.000006895 -0.000000288 -0.000003614 0.000002898 -0.000001591 0.000011493 -0.000001899 -0.000002718 0.000000606 0.000003782 -0.000026226 0.000015404 0.000011030 -0.000001580 -0.000002509 -0.000008756 0.000014814 0.000010041 0.000010755 0.000005778 0.000005576 -0.000000903 -0.000004256 -0.000003501 -0.000024909 0.000014412 0.000001223 0.000007879 0.000003921 0.000004655 -0.000001083 -0.000012219 0.000000005 -0.000000919 0.000000390 -0.000001117 -0.000001065 0.000000047 -0.000002526 0.000000674 -0.000000565 -0.000000271 -0.000000715 0.000000883 0.000001454 -0.000000018 0.000001851 -0.000000077 -0.000002254 0.000000431 0.000000472 0.000002238 -0.000000727 -0.000000090 0.000000261 0.000001896 0.000002551 0.000001973 -0.000002179 -0.000001333 0.000002356 0.000002149 -0.000000241 0.000001934 -0.000001264 0.000000953 0.000000821 -0.000000414 -0.000001106 -0.000001131 0.000001288 0.000001168 0.000000168 0.000001749 0.000000439 -0.000000531 0.000000683 0.000000829 -0.000001135 -0.000000503 -0.000001974 -0.000000070 -0.000000903 0.000000553 -0.000000515 0.000000788 -0.000000756 -0.000000797 0.000011408 0.000005751 -0.000001262 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C16H18ClN7O5S)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 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=31/1,2,3 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 CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 35 32 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 784 A 784 1255 814 118 118 3593.7743259369 48 48 48 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=131 Grimme-D3 -0.0650626604 0.000000 3.635753 0.000000 4.686839 1.458170 0.000000 3.167925 1.445541 2.536164 0.000000 4.301039 3.089331 4.400076 3.247781 0.000000 8.793661 5.369446 4.723099 6.584102 6.294077 0.000000 10.741216 7.978196 8.135527 8.915499 6.841033 4.680773 0.000000 3.877461 2.759052 3.200071 3.881551 3.760172 5.679196 7.901403 0.000000 5.150674 3.157812 3.204754 4.518270 4.151888 4.493628 6.909891 1.346997 0.000000 2.666567 4.005434 4.761142 4.489353 4.502276 7.920906 9.770380 2.250178 3.546120 0.000000 4.824463 1.688704 2.456200 2.584179 2.306658 4.401122 6.369742 3.203571 3.106737 4.828440 0.000000 6.309922 3.944167 4.721725 4.609370 2.275000 4.635030 4.603318 4.429575 4.082843 5.943651 2.337883 0.000000 7.303280 4.093625 4.098142 5.174896 4.139752 2.299882 4.041892 4.563329 3.647050 6.636229 2.647276 2.336662 0.000000 8.507193 5.863130 6.250128 6.713740 4.545447 4.068023 2.305495 5.993579 5.207936 7.764894 4.213550 2.298220 2.380340 0.000000 2.789627 1.762566 2.634358 2.593914 3.182907 6.114844 8.392458 1.380457 2.438822 2.271956 2.711860 4.374961 4.799400 6.294546 0.000000 6.108770 4.472267 4.425265 5.817725 5.147953 4.827537 6.951974 2.252731 1.317161 4.050966 4.319034 4.856425 4.294945 5.561812 3.574040 0.000000 7.506133 5.372915 5.085640 6.790030 6.010885 4.000421 6.163941 3.631088 2.404495 5.555029 4.917535 5.141818 4.025763 5.216690 4.841138 1.508537 0.000000 3.775646 3.921905 4.448341 4.795191 4.493320 6.934633 8.841648 1.393995 2.448419 1.332586 4.468503 5.436708 5.818331 6.985761 2.224488 2.744870 4.253190 0.000000 8.415534 6.456970 6.376252 7.814635 6.420410 4.620543 5.501362 4.632521 3.527956 6.352726 5.720683 5.301775 4.454449 4.917314 5.857488 2.551641 1.541413 5.060619 0.000000 6.127320 5.334480 5.441382 6.544744 5.781353 6.236614 7.993146 2.672765 2.412405 3.667727 5.383115 5.836668 5.624425 6.633258 4.036556 1.428053 2.551077 2.374501 3.136454 0.000000 5.115593 5.127986 5.465524 6.129733 5.510995 7.168611 8.878924 2.385428 2.837585 2.500539 5.455174 6.093856 6.279339 7.279144 3.537409 2.426883 3.806111 1.405445 4.407665 1.368660 0.000000 1.714824 2.902022 3.837398 3.178901 3.734878 7.492946 9.519087 2.197825 3.515044 1.342791 3.935658 5.368182 6.109761 7.386094 1.397367 4.403421 5.824460 2.130857 6.741118 4.437442 3.521468 0.000000 8.140204 6.197557 6.401011 7.432691 5.495506 4.665643 4.476169 4.651287 3.685891 6.310353 5.167489 4.200932 3.847423 3.708045 5.694407 3.099922 2.563441 5.151878 1.529780 3.738978 4.741163 6.571657 0.000000 4.955342 2.726528 3.772081 3.275507 1.209920 5.103784 5.956611 3.570396 3.588401 4.889516 1.383198 1.406380 2.949641 3.664209 3.184505 4.620978 5.260545 4.593729 5.731209 5.513804 5.511796 4.130632 4.856701 0.000000 7.347822 4.542016 4.928892 5.436792 3.592861 3.498881 3.492478 4.886085 4.158653 6.725121 2.899912 1.386667 1.333464 1.334180 5.075799 4.747187 4.618235 5.994464 4.699481 5.906186 6.454267 6.236164 3.679456 2.543167 0.000000 8.502491 5.207809 4.925862 6.354757 5.464197 1.335044 3.573181 5.477986 4.357227 7.652603 3.907512 3.545306 1.337274 2.733209 5.887191 4.727667 4.023582 6.702836 4.333869 6.096621 6.967269 7.225328 3.951740 4.282589 2.276890 0.000000 9.544751 6.668987 6.798564 7.640075 5.767840 3.584749 1.337531 6.706547 5.717445 8.643343 5.080451 3.508420 2.704466 1.335884 7.145489 5.897514 5.210909 7.732605 4.813533 7.037603 7.879071 8.322149 3.825909 4.788956 2.259338 2.355143 0.000000 9.612989 6.459441 6.289124 7.557018 6.229698 2.348552 2.335464 6.539260 5.399665 8.653193 5.029671 4.069489 2.388422 2.407408 7.034711 5.558137 4.670513 7.660458 4.532210 6.825208 7.780736 8.316957 3.967203 5.115362 2.683701 1.390476 1.396706 0.000000 7.903653 4.420776 3.513749 5.630753 6.011564 1.447277 5.949069 5.029245 3.990900 7.223102 3.844137 4.811702 2.665998 4.912686 5.301357 4.573143 4.081595 6.344041 5.107501 5.980942 6.750216 6.685901 5.296224 4.872426 3.999442 2.388020 4.740417 3.668115 0.000000 10.969097 8.525164 8.901284 9.329665 6.873189 5.952482 1.439440 8.416111 7.579450 10.073026 6.872786 4.781931 4.899780 2.671326 8.844639 7.638416 7.031668 9.243388 6.234053 8.540152 9.299858 9.844605 4.980254 6.186056 4.005244 4.738316 2.383700 3.656199 7.120971 0.000000 7.556765 4.950236 4.538287 6.379212 5.747681 2.919901 5.590392 3.787151 2.442693 5.926394 4.346084 4.644159 3.147584 4.622420 4.787015 2.121562 1.091356 4.706695 2.169731 3.431987 4.548231 5.951974 2.806577 4.833359 3.949664 3.034150 4.536171 3.827930 3.035980 6.581430 0.000000 8.067931 6.015056 5.525973 7.445867 6.986045 4.441050 6.988276 4.229713 3.092880 6.033613 5.760463 6.189141 4.900562 6.215313 5.458288 2.126355 1.096008 4.728142 2.166724 2.845026 4.133662 6.383365 3.497285 6.239838 5.622711 4.738180 6.083391 5.385787 4.418556 7.938210 1.760827 0.000000 8.612386 7.068569 7.050914 8.396731 6.956176 5.688752 6.378903 4.910632 3.997367 6.327092 6.474646 6.075748 5.466021 5.817133 6.223887 2.815203 2.172288 5.038102 1.095401 2.867057 4.120531 6.922610 2.163749 6.413725 5.624606 5.421377 5.783485 5.595001 6.090297 6.984073 3.072364 2.498386 0.000000 9.404762 7.207734 6.982630 8.592450 7.265952 4.472741 5.279462 5.584619 4.386845 7.393907 6.395235 5.906317 4.747838 5.137310 6.773871 3.467964 2.147512 6.091487 1.094418 4.114618 5.431735 7.734320 2.160471 6.474440 5.084362 4.310588 4.741957 4.299051 5.166240 6.151864 2.489288 2.437915 1.749775 0.000000 7.145219 6.387081 6.418701 7.619611 6.729916 6.698312 8.235995 3.753362 3.366084 4.605052 6.352676 6.611365 6.288453 7.130439 5.118698 2.169432 2.742381 3.370224 2.976819 1.082212 2.134356 5.475446 3.828336 6.438102 6.554848 6.591174 7.401569 7.171965 6.585241 8.788925 3.787731 2.793414 2.370689 3.841028 0.000000 5.479884 6.051597 6.440577 6.938801 6.283065 8.222788 9.750384 3.369348 3.919398 2.821432 6.447314 7.009010 7.324664 8.193341 4.374574 3.430646 4.707818 2.150230 5.146878 2.160165 1.082017 4.061965 5.498744 6.418150 7.429149 8.007986 8.810561 8.767293 7.819738 10.095630 5.535666 4.933695 4.666497 6.153206 2.513485 0.000000 8.998351 7.203899 7.468379 8.386913 6.191799 5.456999 4.351735 5.634836 4.745419 7.129808 6.098193 4.828294 4.661783 4.003966 6.668501 4.091518 3.512290 6.007726 2.176861 4.519813 5.487749 7.463348 1.092700 5.633581 4.300503 4.663222 4.023117 4.374196 6.241185 4.664631 3.806830 4.325181 2.495072 2.507854 4.430427 6.116415 0.000000 7.233906 5.638120 6.047903 6.789279 4.698347 5.165932 5.069588 3.950747 3.236523 5.408100 4.697551 3.777327 3.948155 3.856170 4.952939 2.794006 2.834134 4.333946 2.184097 3.261942 4.020877 5.702158 1.093717 4.239849 3.630177 4.394516 4.320186 4.606665 5.575953 5.386036 3.170997 3.840698 2.545464 3.080633 3.540846 4.760162 1.766405 0.000000 8.212710 5.866609 6.016585 7.086632 5.205699 3.805544 3.589764 4.807407 3.748730 6.666559 4.646713 3.559052 2.923437 2.764263 5.679715 3.476636 2.823450 5.561328 2.169089 4.416794 5.382432 6.713055 1.090791 4.393000 2.775247 2.945376 2.793106 2.910141 4.577645 4.255513 2.626926 3.799936 3.071170 2.504055 4.660031 6.246016 1.763808 1.764689 0.000000 6.662566 4.738552 5.645842 5.251238 2.425125 5.488839 4.607192 5.041338 4.800609 6.307937 3.224284 1.010811 3.217961 2.403926 4.995797 5.456999 5.767260 5.874671 5.706725 6.284424 6.475184 5.812767 4.426145 2.029955 2.033424 4.305933 3.732486 4.578218 5.780569 4.475746 5.381533 6.847834 6.392401 6.327682 7.004145 7.301385 4.860401 3.931324 3.881011 0.000000 10.581062 7.370582 7.058826 8.503964 7.299801 2.629216 2.600180 7.377781 6.164324 9.532330 6.015522 5.148031 3.370945 3.383352 7.944763 6.189262 5.104885 8.478694 4.892761 7.438032 8.495328 9.243058 4.542197 6.177385 3.762459 2.169534 2.172754 1.078800 4.069119 4.035818 4.282390 5.658250 5.930774 4.420169 7.672312 9.466013 4.834892 5.335101 3.577697 5.635868 0.000000 7.029948 3.720692 2.859300 5.056375 5.420354 2.107691 6.204018 3.981085 2.939580 6.181349 3.317193 4.485543 2.619427 4.918410 4.355644 3.574105 3.301143 5.274126 4.495802 4.963148 5.681377 5.719844 4.753029 4.362152 3.875906 2.709397 4.943625 4.038277 1.090725 7.273882 2.357457 3.684771 5.398780 4.746018 5.628831 6.749818 5.779258 4.894123 4.196728 5.457741 4.575868 0.000000 7.694013 4.082160 3.225224 5.101309 5.730007 2.096230 6.170928 5.290274 4.445853 7.386284 3.492048 4.633179 2.703938 4.957647 5.282634 5.252174 4.966145 6.665838 5.968297 6.649211 7.264716 6.665614 5.958984 4.599052 3.961522 2.714902 4.933308 4.004809 1.091131 7.259248 3.936828 5.394880 6.958321 6.101911 7.357102 8.342673 6.897156 6.124340 5.166614 5.617193 4.507135 1.779481 0.000000 8.590665 5.183833 4.066727 6.375710 7.035921 2.019925 6.700054 5.704579 4.661136 7.862566 4.830279 5.896403 3.723518 5.893673 6.023535 5.106559 4.495735 6.960048 5.592337 6.459111 7.282798 7.372635 6.013495 5.920848 5.054316 3.242207 5.575724 4.368154 1.087344 7.954927 3.515769 4.577678 6.526945 5.520717 6.977987 8.323715 6.939771 6.376626 5.362931 6.862463 4.540871 1.789455 1.786048 0.000000 10.782055 8.350834 8.812153 9.011055 6.560037 6.194914 2.091997 8.549816 7.814420 10.148115 6.667874 4.532775 4.922449 2.658499 8.810498 8.045033 7.574711 9.429538 6.929969 8.989059 9.639330 9.796024 5.621352 5.922940 3.921673 4.938415 2.700540 4.012106 7.257804 1.091197 7.051471 8.528477 7.716373 6.943116 9.348451 10.458358 5.431873 5.879298 4.834223 4.152592 4.515626 7.446130 7.232407 8.147017 0.000000 10.464923 8.293653 8.772823 9.114563 6.448661 6.189951 2.091665 7.911808 7.147188 9.434144 6.690709 4.515791 4.931816 2.659915 8.407955 7.125709 6.627311 8.612433 5.717360 7.892479 8.601715 9.311046 4.353148 5.878799 3.923943 4.940717 2.702370 4.009203 7.275303 1.091374 6.326134 7.572683 6.356188 5.759170 8.109683 9.331666 3.927641 4.656319 3.805310 4.093754 4.508609 7.265225 7.479762 8.150117 1.780018 0.000000 12.041700 9.591553 9.922823 10.410454 7.951255 6.695977 2.015241 9.421015 8.542596 11.082070 7.942449 5.869725 5.876693 3.731024 9.898434 8.513102 7.801990 10.218781 6.893150 9.380159 10.195643 10.896438 5.717877 7.273617 5.060065 5.565446 3.240869 4.350188 7.949918 1.087937 7.380176 8.647959 7.593961 6.685912 9.542461 10.961929 5.260817 6.216961 5.062016 5.547198 4.496639 8.160479 8.127496 8.715148 1.790949 1.791311 0.000000 5.686922 2.312233 2.485891 3.411822 3.162562 3.372632 5.755309 3.454110 2.943443 5.390507 1.029629 2.435668 1.797349 3.780278 3.294416 4.042135 4.346517 4.806015 5.178362 5.284370 5.605694 4.633872 4.729863 2.048105 2.454757 2.956768 4.427106 4.170936 2.871160 6.441094 3.613353 5.158517 6.038705 5.724655 6.170795 6.654884 5.689229 4.468024 4.089697 3.436206 5.105767 2.431779 2.602881 3.898598 6.327199 6.347870 7.476223 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1566,-1.0667,-.9688;2.0901,-1.5647,.9198;1.8083,-1.2159,2.3074;2.9207,-2.6962,.5743;1.0614,-1.9164,-1.9719;-2.7864,-.1962,2.7026;-5.5701,-.5134,-1.0471;2.0902,1.0629,.0785;.8801,1.3349,.6038;4.0219,1.3453,-1.0406;.5415,-1.735,.2681;-1.1153,-1.6251,-1.3777;-1.9527,-.9601,.6999;-3.3467,-1.0968,-1.2247;2.7384,-.1559,.0822;.4696,2.5789,.4661;-.8862,2.9069,1.0403;2.9111,1.9483,-.6183;-1.8864,3.4377,-.0056;1.241,3.5823,-.1954;2.4558,3.272,-.7441;3.9216,.0723,-.6252;-2.1949,2.426,-1.1108;.2526,-1.7689,-1.0842;-2.1799,-1.2162,-.5889;-2.9844,-.5053,1.419;-4.367,-.66,-.4813;-4.2499,-.3289,.8706;-1.4829,-.4559,3.2753;-5.7108,-.8405,-2.4418;-1.2859,2.0072,1.5112;-.7558,3.6558,1.8299;-1.5056,4.366,-.4451;-2.8096,3.7062,.5173;.8473,4.5884,-.259;3.0736,3.9933,-1.2625;-2.9052,2.836,-1.8328;-1.2922,2.1377,-1.6571;-2.6332,1.5198,-.6906;-1.3251,-1.7299,-2.3609;-5.0858,.0334,1.4484;-.6984,.0875,2.747;-1.26,-1.5238,3.2521;-1.558,-.1113,4.3038;-5.4665,-1.889,-2.6198;-5.0628,-.2105,-3.0535;-6.757,-.6481,-2.6701;-.2146,-1.3841,.8725; 0.2281879 0.1008202 0.0900336 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= 784 RedAO= T EigKep= 1.05D-06 NBF= 784 NBsUse= 783 1.00D-06 EigRej= 7.51D-07 NBFU= 783 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= 796 794 795 796 796 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2238.73919784639 -2238.73919784643 -0.000000000043 -2238.73919785 2 2.231834340939e+03 -1.244888699315e+04 4.384604191088e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414237204 LenY= 1413573794 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. PT2020.300S Mon Sep 9 17:46:55 2024 -101.56341 -89.09290 -19.18972 -19.18964 -19.13243 -19.13204 -19.11749 -14.45625 -14.39001 -14.38085 -14.36492 -14.34165 -14.33705 -14.33435 -10.33705 -10.32058 -10.30804 -10.30630 -10.28773 -10.27786 -10.25902 -10.25648 -10.24295 -10.23761 -10.23479 -10.22463 -10.20281 -10.19749 -10.19577 -10.17752 -9.47808 -8.15248 -7.24318 -7.23290 -7.23195 -6.11574 -6.11443 -6.11417 -1.14512 -1.11754 -1.11216 -1.11043 -1.08785 -1.03450 -1.03005 -1.00471 -0.96011 -0.93609 -0.91774 -0.90282 -0.88220 -0.83974 -0.82516 -0.82070 -0.78312 -0.76230 -0.73881 -0.72490 -0.71832 -0.70351 -0.68193 -0.67862 -0.65311 -0.63760 -0.62655 -0.60432 -0.59681 -0.59010 -0.57797 -0.55731 -0.54429 -0.54083 -0.53202 -0.52450 -0.51834 -0.51532 -0.51031 -0.50277 -0.49715 -0.49549 -0.47951 -0.47825 -0.47219 -0.46806 -0.46386 -0.46020 -0.45220 -0.44536 -0.44442 -0.43909 -0.43018 -0.41636 -0.41157 -0.39197 -0.38828 -0.38530 -0.38049 -0.37933 -0.37405 -0.36998 -0.36766 -0.36284 -0.35934 -0.35370 -0.34572 -0.34231 -0.33944 -0.32649 -0.31852 -0.31490 -0.31002 -0.30849 -0.30510 -0.30132 -0.29878 -0.27915 -0.26110 -0.25763 -0.09075 -0.05693 -0.04886 -0.03924 -0.01798 -0.00944 -0.00528 0.00199 0.00446 0.01004 0.01281 0.01443 0.01533 0.02139 0.02494 0.02668 0.03125 0.03607 0.03711 0.04468 0.04555 0.04846 0.04964 0.05505 0.05709 0.06108 0.06600 0.06785 0.07057 0.07223 0.07324 0.07965 0.08086 0.08385 0.08646 0.08877 0.09480 0.09683 0.09799 0.09914 0.10162 0.10289 0.10571 0.11080 0.11206 0.11480 0.11824 0.12021 0.12128 0.12373 0.12664 0.13059 0.13149 0.13389 0.13668 0.13849 0.14157 0.14415 0.14597 0.14843 0.14971 0.15240 0.15425 0.15611 0.16279 0.16333 0.16613 0.16941 0.17093 0.17251 0.17465 0.17835 0.17897 0.18484 0.18587 0.18815 0.18959 0.19401 0.19639 0.19764 0.20007 0.20074 0.20250 0.20495 0.20929 0.21054 0.21229 0.21347 0.21421 0.22035 0.22260 0.22514 0.22928 0.23047 0.23472 0.23722 0.23949 0.24062 0.24132 0.24459 0.24526 0.24785 0.25238 0.25353 0.25812 0.25881 0.26355 0.26562 0.26806 0.27238 0.27323 0.27753 0.27957 0.28086 0.28490 0.28762 0.28887 0.29251 0.29607 0.29766 0.30048 0.30362 0.30635 0.30961 0.31094 0.31238 0.31732 0.31899 0.32213 0.32390 0.32779 0.32881 0.33189 0.33817 0.34013 0.34191 0.34684 0.34990 0.35244 0.35585 0.35964 0.36258 0.36524 0.36729 0.37145 0.37602 0.37968 0.38211 0.38453 0.38766 0.38982 0.39157 0.39347 0.40096 0.40216 0.40303 0.40864 0.41654 0.41915 0.42628 0.43031 0.43298 0.43653 0.44211 0.44476 0.44744 0.45424 0.45518 0.46314 0.46476 0.46766 0.47618 0.47765 0.48291 0.48862 0.49049 0.49840 0.50114 0.50310 0.50737 0.51589 0.51638 0.52174 0.52767 0.53336 0.53583 0.53726 0.54568 0.55043 0.55359 0.56097 0.56479 0.57659 0.57889 0.58657 0.59093 0.59415 0.60155 0.60867 0.61881 0.62013 0.62167 0.62749 0.63720 0.63986 0.64273 0.64597 0.65333 0.65467 0.66062 0.66894 0.67345 0.67713 0.68296 0.68587 0.68933 0.69995 0.70426 0.71063 0.71581 0.72416 0.72709 0.72994 0.73299 0.73619 0.74025 0.74117 0.74675 0.75263 0.75889 0.75999 0.76311 0.76810 0.77718 0.77862 0.78227 0.78650 0.78867 0.81527 0.81668 0.82039 0.82837 0.84100 0.84250 0.84791 0.85477 0.85727 0.86272 0.86476 0.87653 0.88540 0.89204 0.89566 0.89727 0.90365 0.90913 0.91490 0.92503 0.92923 0.93458 0.93710 0.93862 0.94685 0.95023 0.95497 0.95915 0.97311 0.97823 0.98053 0.98675 0.99448 0.99947 1.00389 1.00739 1.01230 1.01376 1.01633 1.01918 1.02597 1.03094 1.03408 1.04242 1.04732 1.05666 1.06046 1.06298 1.06952 1.08179 1.08610 1.09342 1.09581 1.10589 1.11108 1.11494 1.12781 1.13820 1.14547 1.15356 1.15542 1.16241 1.16955 1.17531 1.18446 1.18898 1.19405 1.19815 1.20904 1.21450 1.21832 1.22441 1.23210 1.24052 1.24484 1.25026 1.25466 1.26081 1.27693 1.28167 1.28767 1.28823 1.29559 1.30598 1.31516 1.31796 1.32123 1.32794 1.33593 1.34356 1.34872 1.35769 1.36255 1.36766 1.36966 1.38167 1.38722 1.40882 1.42441 1.42814 1.43476 1.44380 1.45800 1.46879 1.48214 1.49138 1.50220 1.51126 1.51673 1.51934 1.52900 1.53253 1.53627 1.54732 1.55836 1.56507 1.57210 1.57958 1.58036 1.58509 1.60024 1.60455 1.61810 1.61954 1.62452 1.63212 1.63357 1.64181 1.64490 1.65394 1.65908 1.66716 1.67115 1.67525 1.68275 1.68911 1.69073 1.69858 1.70340 1.71186 1.71478 1.71782 1.72443 1.72776 1.73526 1.74271 1.75352 1.76168 1.77307 1.77417 1.78406 1.79013 1.79381 1.79787 1.80412 1.81825 1.82322 1.82971 1.83478 1.85158 1.87074 1.87885 1.88683 1.89872 1.90747 1.91330 1.92554 1.93008 1.93755 1.94543 1.95652 1.96382 1.98016 1.98387 1.98682 2.00082 2.00836 2.01678 2.02529 2.04254 2.05753 2.06922 2.07693 2.08313 2.08987 2.09589 2.11508 2.11999 2.12311 2.12963 2.13131 2.14277 2.15093 2.16668 2.17525 2.17844 2.19177 2.20482 2.21234 2.22225 2.23702 2.24147 2.25253 2.26187 2.28075 2.30526 2.31728 2.32767 2.34258 2.34783 2.35773 2.36241 2.38271 2.39924 2.40483 2.41632 2.42256 2.42926 2.43162 2.44698 2.45045 2.46201 2.47831 2.48749 2.50453 2.51010 2.51279 2.51796 2.52717 2.52940 2.53157 2.54277 2.55547 2.56180 2.57183 2.57696 2.59047 2.59687 2.60341 2.61880 2.62086 2.65050 2.66036 2.66948 2.67095 2.67383 2.68452 2.69535 2.70230 2.71185 2.72041 2.72819 2.73565 2.74009 2.75618 2.76116 2.76526 2.77553 2.78377 2.78740 2.79615 2.80393 2.80647 2.81291 2.81759 2.82464 2.82823 2.84001 2.84618 2.84864 2.85311 2.86237 2.86643 2.87511 2.88102 2.88933 2.89714 2.90408 2.90916 2.91805 2.92815 2.93476 2.94387 2.95209 2.95931 2.97049 2.98389 2.98785 2.99912 3.00605 3.01549 3.02261 3.04125 3.04328 3.04618 3.05742 3.06393 3.07439 3.11905 3.12402 3.14045 3.14297 3.16872 3.19497 3.20897 3.21429 3.23051 3.23823 3.28250 3.29156 3.31061 3.34387 3.36568 3.37682 3.38048 3.40342 3.41244 3.41803 3.43099 3.46967 3.49749 3.50902 3.52678 3.55634 3.56548 3.59319 3.60502 3.62275 3.68861 3.69046 3.72256 3.75703 3.77503 3.78448 3.79730 3.81063 3.81344 3.81872 3.83462 3.86049 3.87997 3.88511 3.91932 3.94001 3.94547 3.95874 3.96496 3.97701 3.98870 3.99862 4.02228 4.06310 4.06884 4.07411 4.09253 4.16445 4.18223 4.24909 4.28151 4.31322 4.37181 4.38750 4.43519 4.50217 4.59783 4.67672 4.69009 4.73886 4.81667 4.96189 5.01850 5.04123 5.05190 5.09478 5.11113 5.12075 5.14756 5.18635 5.19652 5.23509 5.26856 5.31219 5.35475 5.36939 5.40891 5.51594 5.76232 5.82702 5.84101 8.23323 9.82102 17.36869 17.46594 17.59094 23.64785 23.73786 23.74602 23.83555 23.85551 23.89396 23.90192 23.91817 23.92480 23.93552 23.95717 23.96267 23.96922 24.00263 24.08603 24.13516 25.87640 26.18262 26.76895 35.47068 35.54207 35.58968 35.60592 35.68784 35.69555 35.72338 49.89032 49.94004 49.94858 49.96964 50.03317 189.34846 215.81804 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.581588 0.678846 -0.159474 0.047876 -0.205269 -0.134716 -0.119855 0.671526 -0.219390 0.083149 -0.380917 -0.343902 -0.170420 -0.025507 -0.075032 0.178163 -0.183304 -0.355986 -0.295340 -0.441300 -0.385498 -0.857908 -0.455911 0.203198 -0.275002 0.399574 0.113809 -0.614674 -0.257386 -0.209416 0.148534 0.166454 0.125133 0.154176 0.141558 0.153565 0.147917 0.142032 0.118941 0.334302 0.142971 0.186429 0.176120 0.164731 0.165158 0.164269 0.164749 0.411439 -0.00000 -7.5850 6.4255 -0.5783 9.9576 -197.8403 -180.1146 -188.5254 13.9005 9.9397 1.1058 -9.0135 8.7121 0.3014 13.9005 9.9397 1.1058 -132.5865 68.0924 5.8571 -18.9436 -7.9955 -43.1009 -62.0906 -6.2692 -6.0210 -7.0893 -10410.6139 -3631.1230 -2146.5255 -44.4126 415.3186 121.1796 -25.5232 88.8153 24.3727 -2402.3920 -2015.4955 -1017.3268 98.6273 -23.5262 37.6964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ12 ALCAMI 2024-09-09T00:00:00.000 0 Wavefunction CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2238.7391978 RMSD=1.158e-09 Dipole=3.0944756,2.2301764,-0.8934444 Quadrupole=-7.5128776,5.0062934,2.5065842,-5.3277835,10.9814704,-3.5605194 PG=C01 [X(C16H18Cl1N7O5S1)] 0 -5.1481334561 -0.2610963312 1.3008235486 0 -2.1167275596 -1.6871310887 -0.1118697888 0 -1.8271741505 -2.0153351443 -1.5028047851 0 -2.9948436524 -2.5042792481 0.6948326748 0 -1.0893529589 -0.7365022772 2.6421771199 0 2.8061024672 -1.4781204936 -2.245648052 0 5.5927832298 -0.182538677 1.2850054997 0 -1.9959725596 1.0344706617 -0.5485261247 0 -0.7777623248 0.9886232574 -1.1214686005 0 -3.9072349023 1.8729321919 0.2925209306 0 -0.5738388998 -1.6091975702 0.5701445767 0 1.094876922 -0.8367993165 2.0139200362 0 1.9499564794 -1.2184946154 -0.1269067365 0 3.3466992261 -0.5288236228 1.6729493094 0 -2.6975068104 -0.0260522678 -0.0111223872 0 -0.3118172628 2.1420688365 -1.554331615 0 1.0541885184 2.1179177131 -2.1939631475 0 -2.7730946699 2.1727452416 -0.3396374585 0 2.0824420496 3.0216465932 -1.4854976601 0 -1.0343830284 3.3674842852 -1.4294708599 0 -2.2588532714 3.389958871 -0.8184088489 0 -3.8657002423 0.5467119825 0.4986820286 0 2.3515799318 2.6068712347 -0.0378257721 0 -0.2795544663 -1.0402441448 1.7960835236 0 2.1723784688 -0.8737322228 1.1418695975 0 2.9969636139 -1.1816638918 -0.9580036691 0 4.381428713 -0.5184300299 0.8280745018 0 4.2719339464 -0.8296355538 -0.5291097103 0 1.4893073699 -1.9136735802 -2.6591136079 0 5.726251832 0.150573855 2.6789961176 0 1.4110548699 1.0865835481 -2.20139084 0 0.9529381373 2.4337577557 -3.2385813193 0 1.7454991328 4.0634094798 -1.5186938027 0 3.0138371446 2.9858961218 -2.0590609176 0 -0.5961659647 4.2761642009 -1.8211971902 0 -2.8413322918 4.2929175338 -0.6913502853 0 3.0832098077 3.2687963259 0.4318194821 0 1.4399514928 2.6348119788 0.5658049989 0 2.7470889131 1.5911462208 0.0034152075 0 1.305034054 -0.494573641 2.9415268996 0 5.1199762242 -0.8030534207 -1.195387593 0 0.7324830295 -1.1578753631 -2.445415576 0 1.2194681435 -2.8453554954 -2.1593912437 0 1.5742107873 -2.0747428485 -3.7311045563 0 5.4366852623 -0.6929322125 3.3077716395 0 5.1100322959 1.0156194659 2.9301289843 0 6.7811050576 0.3813378117 2.8118098207 0 0.1939143392 -1.6014525297 -0.1158809858 Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C16H18ClN7O5S)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 35 32 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 814 A 784 A 784 1255 814 118 118 3593.7743259369 48 48 48 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=131 Grimme-D3 -0.0650626604 0.000000 3.635753 0.000000 4.686839 1.458170 0.000000 3.167925 1.445541 2.536164 0.000000 4.301039 3.089331 4.400076 3.247781 0.000000 8.793661 5.369446 4.723099 6.584102 6.294077 0.000000 10.741216 7.978196 8.135527 8.915499 6.841033 4.680773 0.000000 3.877461 2.759052 3.200071 3.881551 3.760172 5.679196 7.901403 0.000000 5.150674 3.157812 3.204754 4.518270 4.151888 4.493628 6.909891 1.346997 0.000000 2.666567 4.005434 4.761142 4.489353 4.502276 7.920906 9.770380 2.250178 3.546120 0.000000 4.824463 1.688704 2.456200 2.584179 2.306658 4.401122 6.369742 3.203571 3.106737 4.828440 0.000000 6.309922 3.944167 4.721725 4.609370 2.275000 4.635030 4.603318 4.429575 4.082843 5.943651 2.337883 0.000000 7.303280 4.093625 4.098142 5.174896 4.139752 2.299882 4.041892 4.563329 3.647050 6.636229 2.647276 2.336662 0.000000 8.507193 5.863130 6.250128 6.713740 4.545447 4.068023 2.305495 5.993579 5.207936 7.764894 4.213550 2.298220 2.380340 0.000000 2.789627 1.762566 2.634358 2.593914 3.182907 6.114844 8.392458 1.380457 2.438822 2.271956 2.711860 4.374961 4.799400 6.294546 0.000000 6.108770 4.472267 4.425265 5.817725 5.147953 4.827537 6.951974 2.252731 1.317161 4.050966 4.319034 4.856425 4.294945 5.561812 3.574040 0.000000 7.506133 5.372915 5.085640 6.790030 6.010885 4.000421 6.163941 3.631088 2.404495 5.555029 4.917535 5.141818 4.025763 5.216690 4.841138 1.508537 0.000000 3.775646 3.921905 4.448341 4.795191 4.493320 6.934633 8.841648 1.393995 2.448419 1.332586 4.468503 5.436708 5.818331 6.985761 2.224488 2.744870 4.253190 0.000000 8.415534 6.456970 6.376252 7.814635 6.420410 4.620543 5.501362 4.632521 3.527956 6.352726 5.720683 5.301775 4.454449 4.917314 5.857488 2.551641 1.541413 5.060619 0.000000 6.127320 5.334480 5.441382 6.544744 5.781353 6.236614 7.993146 2.672765 2.412405 3.667727 5.383115 5.836668 5.624425 6.633258 4.036556 1.428053 2.551077 2.374501 3.136454 0.000000 5.115593 5.127986 5.465524 6.129733 5.510995 7.168611 8.878924 2.385428 2.837585 2.500539 5.455174 6.093856 6.279339 7.279144 3.537409 2.426883 3.806111 1.405445 4.407665 1.368660 0.000000 1.714824 2.902022 3.837398 3.178901 3.734878 7.492946 9.519087 2.197825 3.515044 1.342791 3.935658 5.368182 6.109761 7.386094 1.397367 4.403421 5.824460 2.130857 6.741118 4.437442 3.521468 0.000000 8.140204 6.197557 6.401011 7.432691 5.495506 4.665643 4.476169 4.651287 3.685891 6.310353 5.167489 4.200932 3.847423 3.708045 5.694407 3.099922 2.563441 5.151878 1.529780 3.738978 4.741163 6.571657 0.000000 4.955342 2.726528 3.772081 3.275507 1.209920 5.103784 5.956611 3.570396 3.588401 4.889516 1.383198 1.406380 2.949641 3.664209 3.184505 4.620978 5.260545 4.593729 5.731209 5.513804 5.511796 4.130632 4.856701 0.000000 7.347822 4.542016 4.928892 5.436792 3.592861 3.498881 3.492478 4.886085 4.158653 6.725121 2.899912 1.386667 1.333464 1.334180 5.075799 4.747187 4.618235 5.994464 4.699481 5.906186 6.454267 6.236164 3.679456 2.543167 0.000000 8.502491 5.207809 4.925862 6.354757 5.464197 1.335044 3.573181 5.477986 4.357227 7.652603 3.907512 3.545306 1.337274 2.733209 5.887191 4.727667 4.023582 6.702836 4.333869 6.096621 6.967269 7.225328 3.951740 4.282589 2.276890 0.000000 9.544751 6.668987 6.798564 7.640075 5.767840 3.584749 1.337531 6.706547 5.717445 8.643343 5.080451 3.508420 2.704466 1.335884 7.145489 5.897514 5.210909 7.732605 4.813533 7.037603 7.879071 8.322149 3.825909 4.788956 2.259338 2.355143 0.000000 9.612989 6.459441 6.289124 7.557018 6.229698 2.348552 2.335464 6.539260 5.399665 8.653193 5.029671 4.069489 2.388422 2.407408 7.034711 5.558137 4.670513 7.660458 4.532210 6.825208 7.780736 8.316957 3.967203 5.115362 2.683701 1.390476 1.396706 0.000000 7.903653 4.420776 3.513749 5.630753 6.011564 1.447277 5.949069 5.029245 3.990900 7.223102 3.844137 4.811702 2.665998 4.912686 5.301357 4.573143 4.081595 6.344041 5.107501 5.980942 6.750216 6.685901 5.296224 4.872426 3.999442 2.388020 4.740417 3.668115 0.000000 10.969097 8.525164 8.901284 9.329665 6.873189 5.952482 1.439440 8.416111 7.579450 10.073026 6.872786 4.781931 4.899780 2.671326 8.844639 7.638416 7.031668 9.243388 6.234053 8.540152 9.299858 9.844605 4.980254 6.186056 4.005244 4.738316 2.383700 3.656199 7.120971 0.000000 7.556765 4.950236 4.538287 6.379212 5.747681 2.919901 5.590392 3.787151 2.442693 5.926394 4.346084 4.644159 3.147584 4.622420 4.787015 2.121562 1.091356 4.706695 2.169731 3.431987 4.548231 5.951974 2.806577 4.833359 3.949664 3.034150 4.536171 3.827930 3.035980 6.581430 0.000000 8.067931 6.015056 5.525973 7.445867 6.986045 4.441050 6.988276 4.229713 3.092880 6.033613 5.760463 6.189141 4.900562 6.215313 5.458288 2.126355 1.096008 4.728142 2.166724 2.845026 4.133662 6.383365 3.497285 6.239838 5.622711 4.738180 6.083391 5.385787 4.418556 7.938210 1.760827 0.000000 8.612386 7.068569 7.050914 8.396731 6.956176 5.688752 6.378903 4.910632 3.997367 6.327092 6.474646 6.075748 5.466021 5.817133 6.223887 2.815203 2.172288 5.038102 1.095401 2.867057 4.120531 6.922610 2.163749 6.413725 5.624606 5.421377 5.783485 5.595001 6.090297 6.984073 3.072364 2.498386 0.000000 9.404762 7.207734 6.982630 8.592450 7.265952 4.472741 5.279462 5.584619 4.386845 7.393907 6.395235 5.906317 4.747838 5.137310 6.773871 3.467964 2.147512 6.091487 1.094418 4.114618 5.431735 7.734320 2.160471 6.474440 5.084362 4.310588 4.741957 4.299051 5.166240 6.151864 2.489288 2.437915 1.749775 0.000000 7.145219 6.387081 6.418701 7.619611 6.729916 6.698312 8.235995 3.753362 3.366084 4.605052 6.352676 6.611365 6.288453 7.130439 5.118698 2.169432 2.742381 3.370224 2.976819 1.082212 2.134356 5.475446 3.828336 6.438102 6.554848 6.591174 7.401569 7.171965 6.585241 8.788925 3.787731 2.793414 2.370689 3.841028 0.000000 5.479884 6.051597 6.440577 6.938801 6.283065 8.222788 9.750384 3.369348 3.919398 2.821432 6.447314 7.009010 7.324664 8.193341 4.374574 3.430646 4.707818 2.150230 5.146878 2.160165 1.082017 4.061965 5.498744 6.418150 7.429149 8.007986 8.810561 8.767293 7.819738 10.095630 5.535666 4.933695 4.666497 6.153206 2.513485 0.000000 8.998351 7.203899 7.468379 8.386913 6.191799 5.456999 4.351735 5.634836 4.745419 7.129808 6.098193 4.828294 4.661783 4.003966 6.668501 4.091518 3.512290 6.007726 2.176861 4.519813 5.487749 7.463348 1.092700 5.633581 4.300503 4.663222 4.023117 4.374196 6.241185 4.664631 3.806830 4.325181 2.495072 2.507854 4.430427 6.116415 0.000000 7.233906 5.638120 6.047903 6.789279 4.698347 5.165932 5.069588 3.950747 3.236523 5.408100 4.697551 3.777327 3.948155 3.856170 4.952939 2.794006 2.834134 4.333946 2.184097 3.261942 4.020877 5.702158 1.093717 4.239849 3.630177 4.394516 4.320186 4.606665 5.575953 5.386036 3.170997 3.840698 2.545464 3.080633 3.540846 4.760162 1.766405 0.000000 8.212710 5.866609 6.016585 7.086632 5.205699 3.805544 3.589764 4.807407 3.748730 6.666559 4.646713 3.559052 2.923437 2.764263 5.679715 3.476636 2.823450 5.561328 2.169089 4.416794 5.382432 6.713055 1.090791 4.393000 2.775247 2.945376 2.793106 2.910141 4.577645 4.255513 2.626926 3.799936 3.071170 2.504055 4.660031 6.246016 1.763808 1.764689 0.000000 6.662566 4.738552 5.645842 5.251238 2.425125 5.488839 4.607192 5.041338 4.800609 6.307937 3.224284 1.010811 3.217961 2.403926 4.995797 5.456999 5.767260 5.874671 5.706725 6.284424 6.475184 5.812767 4.426145 2.029955 2.033424 4.305933 3.732486 4.578218 5.780569 4.475746 5.381533 6.847834 6.392401 6.327682 7.004145 7.301385 4.860401 3.931324 3.881011 0.000000 10.581062 7.370582 7.058826 8.503964 7.299801 2.629216 2.600180 7.377781 6.164324 9.532330 6.015522 5.148031 3.370945 3.383352 7.944763 6.189262 5.104885 8.478694 4.892761 7.438032 8.495328 9.243058 4.542197 6.177385 3.762459 2.169534 2.172754 1.078800 4.069119 4.035818 4.282390 5.658250 5.930774 4.420169 7.672312 9.466013 4.834892 5.335101 3.577697 5.635868 0.000000 7.029948 3.720692 2.859300 5.056375 5.420354 2.107691 6.204018 3.981085 2.939580 6.181349 3.317193 4.485543 2.619427 4.918410 4.355644 3.574105 3.301143 5.274126 4.495802 4.963148 5.681377 5.719844 4.753029 4.362152 3.875906 2.709397 4.943625 4.038277 1.090725 7.273882 2.357457 3.684771 5.398780 4.746018 5.628831 6.749818 5.779258 4.894123 4.196728 5.457741 4.575868 0.000000 7.694013 4.082160 3.225224 5.101309 5.730007 2.096230 6.170928 5.290274 4.445853 7.386284 3.492048 4.633179 2.703938 4.957647 5.282634 5.252174 4.966145 6.665838 5.968297 6.649211 7.264716 6.665614 5.958984 4.599052 3.961522 2.714902 4.933308 4.004809 1.091131 7.259248 3.936828 5.394880 6.958321 6.101911 7.357102 8.342673 6.897156 6.124340 5.166614 5.617193 4.507135 1.779481 0.000000 8.590665 5.183833 4.066727 6.375710 7.035921 2.019925 6.700054 5.704579 4.661136 7.862566 4.830279 5.896403 3.723518 5.893673 6.023535 5.106559 4.495735 6.960048 5.592337 6.459111 7.282798 7.372635 6.013495 5.920848 5.054316 3.242207 5.575724 4.368154 1.087344 7.954927 3.515769 4.577678 6.526945 5.520717 6.977987 8.323715 6.939771 6.376626 5.362931 6.862463 4.540871 1.789455 1.786048 0.000000 10.782055 8.350834 8.812153 9.011055 6.560037 6.194914 2.091997 8.549816 7.814420 10.148115 6.667874 4.532775 4.922449 2.658499 8.810498 8.045033 7.574711 9.429538 6.929969 8.989059 9.639330 9.796024 5.621352 5.922940 3.921673 4.938415 2.700540 4.012106 7.257804 1.091197 7.051471 8.528477 7.716373 6.943116 9.348451 10.458358 5.431873 5.879298 4.834223 4.152592 4.515626 7.446130 7.232407 8.147017 0.000000 10.464923 8.293653 8.772823 9.114563 6.448661 6.189951 2.091665 7.911808 7.147188 9.434144 6.690709 4.515791 4.931816 2.659915 8.407955 7.125709 6.627311 8.612433 5.717360 7.892479 8.601715 9.311046 4.353148 5.878799 3.923943 4.940717 2.702370 4.009203 7.275303 1.091374 6.326134 7.572683 6.356188 5.759170 8.109683 9.331666 3.927641 4.656319 3.805310 4.093754 4.508609 7.265225 7.479762 8.150117 1.780018 0.000000 12.041700 9.591553 9.922823 10.410454 7.951255 6.695977 2.015241 9.421015 8.542596 11.082070 7.942449 5.869725 5.876693 3.731024 9.898434 8.513102 7.801990 10.218781 6.893150 9.380159 10.195643 10.896438 5.717877 7.273617 5.060065 5.565446 3.240869 4.350188 7.949918 1.087937 7.380176 8.647959 7.593961 6.685912 9.542461 10.961929 5.260817 6.216961 5.062016 5.547198 4.496639 8.160479 8.127496 8.715148 1.790949 1.791311 0.000000 5.686922 2.312233 2.485891 3.411822 3.162562 3.372632 5.755309 3.454110 2.943443 5.390507 1.029629 2.435668 1.797349 3.780278 3.294416 4.042135 4.346517 4.806015 5.178362 5.284370 5.605694 4.633872 4.729863 2.048105 2.454757 2.956768 4.427106 4.170936 2.871160 6.441094 3.613353 5.158517 6.038705 5.724655 6.170795 6.654884 5.689229 4.468024 4.089697 3.436206 5.105767 2.431779 2.602881 3.898598 6.327199 6.347870 7.476223 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1566,-1.0667,-.9688;2.0901,-1.5647,.9198;1.8083,-1.2159,2.3074;2.9207,-2.6962,.5743;1.0614,-1.9164,-1.9719;-2.7864,-.1962,2.7026;-5.5701,-.5134,-1.0471;2.0902,1.0629,.0785;.8801,1.3349,.6038;4.0219,1.3453,-1.0406;.5415,-1.735,.2681;-1.1153,-1.6251,-1.3777;-1.9527,-.9601,.6999;-3.3467,-1.0968,-1.2247;2.7384,-.1559,.0822;.4696,2.5789,.4661;-.8862,2.9069,1.0403;2.9111,1.9483,-.6183;-1.8864,3.4377,-.0056;1.241,3.5823,-.1954;2.4558,3.272,-.7441;3.9216,.0723,-.6252;-2.1949,2.426,-1.1108;.2526,-1.7689,-1.0842;-2.1799,-1.2162,-.5889;-2.9844,-.5053,1.419;-4.367,-.66,-.4813;-4.2499,-.3289,.8706;-1.4829,-.4559,3.2753;-5.7108,-.8405,-2.4418;-1.2859,2.0072,1.5112;-.7558,3.6558,1.8299;-1.5056,4.366,-.4451;-2.8096,3.7062,.5173;.8473,4.5884,-.259;3.0736,3.9933,-1.2625;-2.9052,2.836,-1.8328;-1.2922,2.1377,-1.6571;-2.6332,1.5198,-.6906;-1.3251,-1.7299,-2.3609;-5.0858,.0334,1.4484;-.6984,.0875,2.747;-1.26,-1.5238,3.2521;-1.558,-.1113,4.3038;-5.4665,-1.889,-2.6198;-5.0628,-.2105,-3.0535;-6.757,-.6481,-2.6701;-.2146,-1.3841,.8725; 0.2281879 0.1008202 0.0900336 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= 784 RedAO= T EigKep= 1.05D-06 NBF= 784 NBsUse= 783 1.00D-06 EigRej= 7.51D-07 NBFU= 783 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= 796 794 795 796 796 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2238.73919784639 -2238.73919785 1 2.231834340969e+03 -1.244888699444e+04 4.384604192351e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414237204 LenY= 1413573794 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. 1 Singlet-A 3.9790 311.60 0.0919 0.000 116 120 -0.14824 117 119 0.20181 118 119 0.64595 -2238.59297399 2 Singlet-A 4.1343 299.89 0.0122 0.000 117 119 0.66456 118 119 -0.22913 3 Singlet-A 4.5486 272.57 0.0022 0.000 116 119 0.65439 117 120 0.10932 118 120 0.20181 4 Singlet-A 4.7654 260.17 0.0008 0.000 111 119 0.15966 112 119 0.46327 113 119 -0.42099 114 119 -0.25998 5 Singlet-A 4.9491 250.52 0.1523 0.000 116 119 -0.15649 118 120 0.63580 118 121 0.18777 6 Singlet-A 5.0707 244.51 0.0009 0.000 113 119 -0.10872 114 119 0.17111 115 119 0.64031 117 120 0.18219 7 Singlet-A 5.0764 244.24 0.0176 0.000 115 119 -0.20929 117 120 0.60743 118 121 0.26309 8 Singlet-A 5.1344 241.48 0.0005 0.000 111 119 0.16503 113 119 -0.27939 114 119 0.56042 115 119 -0.16887 118 121 -0.14898 9 Singlet-A 5.2033 238.28 0.0668 0.000 114 119 -0.13200 114 121 0.12875 117 122 0.35594 118 120 0.15709 118 121 -0.33958 118 122 -0.34041 10 Singlet-A 5.2616 235.64 0.0745 0.000 116 119 0.13360 117 120 -0.21854 117 121 0.32738 117 122 0.19727 118 121 0.41631 118 122 -0.22784 PT89487.200S Mon Sep 9 20:55:02 2024 -101.56341 -89.09290 -19.18972 -19.18964 -19.13243 -19.13204 -19.11749 -14.45625 -14.39001 -14.38085 -14.36492 -14.34165 -14.33705 -14.33435 -10.33705 -10.32058 -10.30804 -10.30630 -10.28773 -10.27786 -10.25902 -10.25648 -10.24295 -10.23761 -10.23479 -10.22463 -10.20281 -10.19749 -10.19577 -10.17752 -9.47808 -8.15248 -7.24318 -7.23290 -7.23195 -6.11574 -6.11443 -6.11417 -1.14512 -1.11754 -1.11216 -1.11043 -1.08785 -1.03450 -1.03005 -1.00471 -0.96011 -0.93609 -0.91774 -0.90282 -0.88220 -0.83974 -0.82516 -0.82070 -0.78312 -0.76230 -0.73881 -0.72490 -0.71832 -0.70351 -0.68193 -0.67862 -0.65311 -0.63760 -0.62655 -0.60432 -0.59681 -0.59010 -0.57797 -0.55731 -0.54429 -0.54083 -0.53202 -0.52450 -0.51834 -0.51532 -0.51031 -0.50277 -0.49715 -0.49549 -0.47951 -0.47825 -0.47219 -0.46806 -0.46386 -0.46020 -0.45220 -0.44536 -0.44442 -0.43909 -0.43018 -0.41636 -0.41157 -0.39197 -0.38828 -0.38530 -0.38049 -0.37933 -0.37405 -0.36998 -0.36766 -0.36284 -0.35934 -0.35370 -0.34572 -0.34231 -0.33944 -0.32649 -0.31852 -0.31490 -0.31002 -0.30849 -0.30510 -0.30132 -0.29878 -0.27915 -0.26110 -0.25763 -0.09075 -0.05693 -0.04886 -0.03924 -0.01798 -0.00944 -0.00528 0.00199 0.00446 0.01004 0.01281 0.01443 0.01533 0.02139 0.02494 0.02668 0.03125 0.03607 0.03711 0.04468 0.04555 0.04846 0.04964 0.05505 0.05709 0.06108 0.06600 0.06785 0.07057 0.07223 0.07324 0.07965 0.08086 0.08385 0.08646 0.08877 0.09480 0.09683 0.09799 0.09914 0.10162 0.10289 0.10571 0.11080 0.11206 0.11480 0.11824 0.12021 0.12128 0.12373 0.12664 0.13059 0.13149 0.13389 0.13668 0.13849 0.14157 0.14415 0.14597 0.14843 0.14971 0.15240 0.15425 0.15611 0.16279 0.16333 0.16613 0.16941 0.17093 0.17251 0.17465 0.17835 0.17897 0.18484 0.18587 0.18815 0.18959 0.19401 0.19639 0.19764 0.20007 0.20074 0.20250 0.20495 0.20929 0.21054 0.21229 0.21347 0.21421 0.22035 0.22260 0.22514 0.22928 0.23047 0.23472 0.23722 0.23949 0.24062 0.24132 0.24459 0.24526 0.24785 0.25238 0.25353 0.25812 0.25881 0.26355 0.26562 0.26806 0.27238 0.27323 0.27753 0.27957 0.28086 0.28490 0.28762 0.28887 0.29251 0.29607 0.29766 0.30048 0.30362 0.30635 0.30961 0.31094 0.31238 0.31732 0.31899 0.32213 0.32390 0.32779 0.32881 0.33189 0.33817 0.34013 0.34191 0.34684 0.34990 0.35244 0.35585 0.35964 0.36258 0.36524 0.36729 0.37145 0.37602 0.37968 0.38211 0.38453 0.38766 0.38982 0.39157 0.39347 0.40096 0.40216 0.40303 0.40864 0.41654 0.41915 0.42628 0.43031 0.43298 0.43653 0.44211 0.44476 0.44744 0.45424 0.45518 0.46314 0.46476 0.46766 0.47618 0.47765 0.48291 0.48862 0.49049 0.49840 0.50114 0.50310 0.50737 0.51589 0.51638 0.52174 0.52767 0.53336 0.53583 0.53726 0.54568 0.55043 0.55359 0.56097 0.56479 0.57659 0.57889 0.58657 0.59093 0.59415 0.60155 0.60867 0.61881 0.62013 0.62167 0.62749 0.63720 0.63986 0.64273 0.64597 0.65333 0.65467 0.66062 0.66894 0.67345 0.67713 0.68296 0.68587 0.68933 0.69995 0.70426 0.71063 0.71581 0.72416 0.72709 0.72994 0.73299 0.73619 0.74025 0.74117 0.74675 0.75263 0.75889 0.75999 0.76311 0.76810 0.77718 0.77862 0.78227 0.78650 0.78867 0.81527 0.81668 0.82039 0.82837 0.84100 0.84250 0.84791 0.85477 0.85727 0.86272 0.86476 0.87653 0.88540 0.89204 0.89566 0.89727 0.90365 0.90913 0.91490 0.92503 0.92923 0.93458 0.93710 0.93862 0.94685 0.95023 0.95497 0.95915 0.97311 0.97823 0.98053 0.98675 0.99448 0.99947 1.00389 1.00739 1.01230 1.01376 1.01633 1.01918 1.02597 1.03094 1.03408 1.04242 1.04732 1.05666 1.06046 1.06298 1.06952 1.08179 1.08610 1.09342 1.09581 1.10589 1.11108 1.11494 1.12781 1.13820 1.14547 1.15356 1.15542 1.16241 1.16955 1.17531 1.18446 1.18898 1.19405 1.19815 1.20904 1.21450 1.21832 1.22441 1.23210 1.24052 1.24484 1.25026 1.25466 1.26081 1.27693 1.28167 1.28767 1.28823 1.29559 1.30598 1.31516 1.31796 1.32123 1.32794 1.33593 1.34356 1.34872 1.35769 1.36255 1.36766 1.36966 1.38167 1.38722 1.40882 1.42441 1.42814 1.43476 1.44380 1.45800 1.46879 1.48214 1.49138 1.50220 1.51126 1.51673 1.51934 1.52900 1.53253 1.53627 1.54732 1.55836 1.56507 1.57210 1.57958 1.58036 1.58509 1.60024 1.60455 1.61810 1.61954 1.62452 1.63212 1.63357 1.64181 1.64490 1.65394 1.65908 1.66716 1.67115 1.67525 1.68275 1.68911 1.69073 1.69858 1.70340 1.71186 1.71478 1.71782 1.72443 1.72776 1.73526 1.74271 1.75352 1.76168 1.77307 1.77417 1.78406 1.79013 1.79381 1.79787 1.80412 1.81825 1.82322 1.82971 1.83478 1.85158 1.87074 1.87885 1.88683 1.89872 1.90747 1.91330 1.92554 1.93008 1.93755 1.94543 1.95652 1.96382 1.98016 1.98387 1.98682 2.00082 2.00836 2.01678 2.02529 2.04254 2.05753 2.06922 2.07693 2.08313 2.08987 2.09589 2.11508 2.11999 2.12311 2.12963 2.13131 2.14277 2.15093 2.16668 2.17525 2.17844 2.19177 2.20482 2.21234 2.22225 2.23702 2.24147 2.25253 2.26187 2.28075 2.30526 2.31728 2.32767 2.34258 2.34783 2.35773 2.36241 2.38271 2.39924 2.40483 2.41632 2.42256 2.42926 2.43162 2.44698 2.45045 2.46201 2.47831 2.48749 2.50453 2.51010 2.51279 2.51796 2.52717 2.52940 2.53157 2.54277 2.55547 2.56180 2.57183 2.57696 2.59047 2.59687 2.60341 2.61880 2.62086 2.65050 2.66036 2.66948 2.67095 2.67383 2.68452 2.69535 2.70230 2.71185 2.72041 2.72819 2.73565 2.74009 2.75618 2.76116 2.76526 2.77553 2.78377 2.78740 2.79615 2.80393 2.80647 2.81291 2.81759 2.82464 2.82823 2.84001 2.84618 2.84864 2.85311 2.86237 2.86643 2.87511 2.88102 2.88933 2.89714 2.90408 2.90916 2.91805 2.92815 2.93476 2.94387 2.95209 2.95931 2.97049 2.98389 2.98785 2.99912 3.00605 3.01549 3.02261 3.04125 3.04328 3.04618 3.05742 3.06393 3.07439 3.11905 3.12402 3.14045 3.14297 3.16872 3.19497 3.20897 3.21429 3.23051 3.23823 3.28250 3.29156 3.31061 3.34387 3.36568 3.37682 3.38048 3.40342 3.41244 3.41803 3.43099 3.46967 3.49749 3.50902 3.52678 3.55634 3.56548 3.59319 3.60502 3.62275 3.68861 3.69046 3.72256 3.75703 3.77503 3.78448 3.79730 3.81063 3.81344 3.81872 3.83462 3.86049 3.87997 3.88511 3.91932 3.94001 3.94547 3.95874 3.96496 3.97701 3.98870 3.99862 4.02228 4.06310 4.06884 4.07411 4.09253 4.16445 4.18223 4.24909 4.28151 4.31322 4.37181 4.38750 4.43519 4.50217 4.59783 4.67672 4.69009 4.73886 4.81667 4.96189 5.01850 5.04123 5.05190 5.09478 5.11113 5.12075 5.14756 5.18635 5.19652 5.23509 5.26856 5.31219 5.35475 5.36939 5.40891 5.51594 5.76232 5.82702 5.84101 8.23323 9.82102 17.36869 17.46594 17.59094 23.64785 23.73786 23.74602 23.83555 23.85551 23.89396 23.90192 23.91817 23.92480 23.93552 23.95717 23.96267 23.96922 24.00263 24.08603 24.13516 25.87640 26.18262 26.76895 35.47068 35.54207 35.58968 35.60592 35.68784 35.69555 35.72338 49.89032 49.94004 49.94858 49.96964 50.03317 189.34846 215.81804 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.581588 0.678846 -0.159474 0.047876 -0.205269 -0.134716 -0.119855 0.671526 -0.219390 0.083149 -0.380917 -0.343902 -0.170420 -0.025507 -0.075032 0.178163 -0.183304 -0.355986 -0.295340 -0.441300 -0.385498 -0.857908 -0.455911 0.203198 -0.275002 0.399574 0.113809 -0.614674 -0.257386 -0.209416 0.148534 0.166454 0.125133 0.154176 0.141558 0.153565 0.147917 0.142032 0.118941 0.334301 0.142971 0.186429 0.176120 0.164731 0.165158 0.164269 0.164749 0.411439 -0.00000 -7.5850 6.4255 -0.5783 9.9576 -197.8403 -180.1146 -188.5254 13.9005 9.9397 1.1058 -9.0135 8.7121 0.3014 13.9005 9.9397 1.1058 -132.5865 68.0924 5.8571 -18.9436 -7.9955 -43.1009 -62.0906 -6.2692 -6.0210 -7.0893 -10410.6140 -3631.1230 -2146.5255 -44.4126 415.3186 121.1796 -25.5232 88.8153 24.3727 -2402.3920 -2015.4955 -1017.3269 98.6274 -23.5262 37.6964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ12 ALCAMI 2024-09-09T00:00:00.000 0 Electronic spectrum CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2238.7391978 RMSD=5.563e-09 PG=C01 [X(C16H18Cl1N7O5S1)] 0 -5.1481334561 -0.2610963312 1.3008235486 0 -2.1167275596 -1.6871310887 -0.1118697888 0 -1.8271741505 -2.0153351443 -1.5028047851 0 -2.9948436524 -2.5042792481 0.6948326748 0 -1.0893529589 -0.7365022772 2.6421771199 0 2.8061024672 -1.4781204936 -2.245648052 0 5.5927832298 -0.182538677 1.2850054997 0 -1.9959725596 1.0344706617 -0.5485261247 0 -0.7777623248 0.9886232574 -1.1214686005 0 -3.9072349023 1.8729321919 0.2925209306 0 -0.5738388998 -1.6091975702 0.5701445767 0 1.094876922 -0.8367993165 2.0139200362 0 1.9499564794 -1.2184946154 -0.1269067365 0 3.3466992261 -0.5288236228 1.6729493094 0 -2.6975068104 -0.0260522678 -0.0111223872 0 -0.3118172628 2.1420688365 -1.554331615 0 1.0541885184 2.1179177131 -2.1939631475 0 -2.7730946699 2.1727452416 -0.3396374585 0 2.0824420496 3.0216465932 -1.4854976601 0 -1.0343830284 3.3674842852 -1.4294708599 0 -2.2588532714 3.389958871 -0.8184088489 0 -3.8657002423 0.5467119825 0.4986820286 0 2.3515799318 2.6068712347 -0.0378257721 0 -0.2795544663 -1.0402441448 1.7960835236 0 2.1723784688 -0.8737322228 1.1418695975 0 2.9969636139 -1.1816638918 -0.9580036691 0 4.381428713 -0.5184300299 0.8280745018 0 4.2719339464 -0.8296355538 -0.5291097103 0 1.4893073699 -1.9136735802 -2.6591136079 0 5.726251832 0.150573855 2.6789961176 0 1.4110548699 1.0865835481 -2.20139084 0 0.9529381373 2.4337577557 -3.2385813193 0 1.7454991328 4.0634094798 -1.5186938027 0 3.0138371446 2.9858961218 -2.0590609176 0 -0.5961659647 4.2761642009 -1.8211971902 0 -2.8413322918 4.2929175338 -0.6913502853 0 3.0832098077 3.2687963259 0.4318194821 0 1.4399514928 2.6348119788 0.5658049989 0 2.7470889131 1.5911462208 0.0034152075 0 1.305034054 -0.494573641 2.9415268996 0 5.1199762242 -0.8030534207 -1.195387593 0 0.7324830295 -1.1578753631 -2.445415576 0 1.2194681435 -2.8453554954 -2.1593912437 0 1.5742107873 -2.0747428485 -3.7311045563 0 5.4366852623 -0.6929322125 3.3077716395 0 5.1100322959 1.0156194659 2.9301289843 0 6.7811050576 0.3813378117 2.8118098207 0 0.1939143392 -1.6014525297 -0.1158809858 Gaussian 16 9-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C16H18ClN7O5S)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 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 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1481,-.2611,1.3008;-2.1167,-1.6871,-.1119;-1.8272,-2.0153,-1.5028;-2.9948,-2.5043,.6948;-1.0894,-.7365,2.6422;2.8061,-1.4781,-2.2456;5.5928,-.1825,1.285;-1.996,1.0345,-.5485;-.7778,.9886,-1.1215;-3.9072,1.8729,.2925;-.5738,-1.6092,.5701;1.0949,-.8368,2.0139;1.95,-1.2185,-.1269;3.3467,-.5288,1.6729;-2.6975,-.0261,-.0111;-.3118,2.1421,-1.5543;1.0542,2.1179,-2.194;-2.7731,2.1727,-.3396;2.0824,3.0216,-1.4855;-1.0344,3.3675,-1.4295;-2.2589,3.39,-.8184;-3.8657,.5467,.4987;2.3516,2.6069,-.0378;-.2796,-1.0402,1.7961;2.1724,-.8737,1.1419;2.997,-1.1817,-.958;4.3814,-.5184,.8281;4.2719,-.8296,-.5291;1.4893,-1.9137,-2.6591;5.7263,.1506,2.679;1.4111,1.0866,-2.2014;.9529,2.4338,-3.2386;1.7455,4.0634,-1.5187;3.0138,2.9859,-2.0591;-.5962,4.2762,-1.8212;-2.8413,4.2929,-.6914;3.0832,3.2688,.4318;1.44,2.6348,.5658;2.7471,1.5911,.0034;1.305,-.4946,2.9415;5.12,-.8031,-1.1954;.7325,-1.1579,-2.4454;1.2195,-2.8454,-2.1594;1.5742,-2.0747,-3.7311;5.4367,-.6929,3.3078;5.11,1.0156,2.9301;6.7811,.3813,2.8118;.1939,-1.6015,-.1159; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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=31/1,2,3 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 CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 35 32 16 16 16 16 16 14 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1528 A 1348 A 1348 1969 1528 118 118 3593.7743259369 48 48 48 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=131 Grimme-D3 -0.0650626604 0.000000 3.635753 0.000000 4.686839 1.458170 0.000000 3.167925 1.445541 2.536164 0.000000 4.301039 3.089331 4.400076 3.247781 0.000000 8.793661 5.369446 4.723099 6.584102 6.294077 0.000000 10.741216 7.978196 8.135527 8.915499 6.841033 4.680773 0.000000 3.877461 2.759052 3.200071 3.881551 3.760172 5.679196 7.901403 0.000000 5.150674 3.157812 3.204754 4.518270 4.151888 4.493628 6.909891 1.346997 0.000000 2.666567 4.005434 4.761142 4.489353 4.502276 7.920906 9.770380 2.250178 3.546120 0.000000 4.824463 1.688704 2.456200 2.584179 2.306658 4.401122 6.369742 3.203571 3.106737 4.828440 0.000000 6.309922 3.944167 4.721725 4.609370 2.275000 4.635030 4.603318 4.429575 4.082843 5.943651 2.337883 0.000000 7.303280 4.093625 4.098142 5.174896 4.139752 2.299882 4.041892 4.563329 3.647050 6.636229 2.647276 2.336662 0.000000 8.507193 5.863130 6.250128 6.713740 4.545447 4.068023 2.305495 5.993579 5.207936 7.764894 4.213550 2.298220 2.380340 0.000000 2.789627 1.762566 2.634358 2.593914 3.182907 6.114844 8.392458 1.380457 2.438822 2.271956 2.711860 4.374961 4.799400 6.294546 0.000000 6.108770 4.472267 4.425265 5.817725 5.147953 4.827537 6.951974 2.252731 1.317161 4.050966 4.319034 4.856425 4.294945 5.561812 3.574040 0.000000 7.506133 5.372915 5.085640 6.790030 6.010885 4.000421 6.163941 3.631088 2.404495 5.555029 4.917535 5.141818 4.025763 5.216690 4.841138 1.508537 0.000000 3.775646 3.921905 4.448341 4.795191 4.493320 6.934633 8.841648 1.393995 2.448419 1.332586 4.468503 5.436708 5.818331 6.985761 2.224488 2.744870 4.253190 0.000000 8.415534 6.456970 6.376252 7.814635 6.420410 4.620543 5.501362 4.632521 3.527956 6.352726 5.720683 5.301775 4.454449 4.917314 5.857488 2.551641 1.541413 5.060619 0.000000 6.127320 5.334480 5.441382 6.544744 5.781353 6.236614 7.993146 2.672765 2.412405 3.667727 5.383115 5.836668 5.624425 6.633258 4.036556 1.428053 2.551077 2.374501 3.136454 0.000000 5.115593 5.127986 5.465524 6.129733 5.510995 7.168611 8.878924 2.385428 2.837585 2.500539 5.455174 6.093856 6.279339 7.279144 3.537409 2.426883 3.806111 1.405445 4.407665 1.368660 0.000000 1.714824 2.902022 3.837398 3.178901 3.734878 7.492946 9.519087 2.197825 3.515044 1.342791 3.935658 5.368182 6.109761 7.386094 1.397367 4.403421 5.824460 2.130857 6.741118 4.437442 3.521468 0.000000 8.140204 6.197557 6.401011 7.432691 5.495506 4.665643 4.476169 4.651287 3.685891 6.310353 5.167489 4.200932 3.847423 3.708045 5.694407 3.099922 2.563441 5.151878 1.529780 3.738978 4.741163 6.571657 0.000000 4.955342 2.726528 3.772081 3.275507 1.209920 5.103784 5.956611 3.570396 3.588401 4.889516 1.383198 1.406380 2.949641 3.664209 3.184505 4.620978 5.260545 4.593729 5.731209 5.513804 5.511796 4.130632 4.856701 0.000000 7.347822 4.542016 4.928892 5.436792 3.592861 3.498881 3.492478 4.886085 4.158653 6.725121 2.899912 1.386667 1.333464 1.334180 5.075799 4.747187 4.618235 5.994464 4.699481 5.906186 6.454267 6.236164 3.679456 2.543167 0.000000 8.502491 5.207809 4.925862 6.354757 5.464197 1.335044 3.573181 5.477986 4.357227 7.652603 3.907512 3.545306 1.337274 2.733209 5.887191 4.727667 4.023582 6.702836 4.333869 6.096621 6.967269 7.225328 3.951740 4.282589 2.276890 0.000000 9.544751 6.668987 6.798564 7.640075 5.767840 3.584749 1.337531 6.706547 5.717445 8.643343 5.080451 3.508420 2.704466 1.335884 7.145489 5.897514 5.210909 7.732605 4.813533 7.037603 7.879071 8.322149 3.825909 4.788956 2.259338 2.355143 0.000000 9.612989 6.459441 6.289124 7.557018 6.229698 2.348552 2.335464 6.539260 5.399665 8.653193 5.029671 4.069489 2.388422 2.407408 7.034711 5.558137 4.670513 7.660458 4.532210 6.825208 7.780736 8.316957 3.967203 5.115362 2.683701 1.390476 1.396706 0.000000 7.903653 4.420776 3.513749 5.630753 6.011564 1.447277 5.949069 5.029245 3.990900 7.223102 3.844137 4.811702 2.665998 4.912686 5.301357 4.573143 4.081595 6.344041 5.107501 5.980942 6.750216 6.685901 5.296224 4.872426 3.999442 2.388020 4.740417 3.668115 0.000000 10.969097 8.525164 8.901284 9.329665 6.873189 5.952482 1.439440 8.416111 7.579450 10.073026 6.872786 4.781931 4.899780 2.671326 8.844639 7.638416 7.031668 9.243388 6.234053 8.540152 9.299858 9.844605 4.980254 6.186056 4.005244 4.738316 2.383700 3.656199 7.120971 0.000000 7.556765 4.950236 4.538287 6.379212 5.747681 2.919901 5.590392 3.787151 2.442693 5.926394 4.346084 4.644159 3.147584 4.622420 4.787015 2.121562 1.091356 4.706695 2.169731 3.431987 4.548231 5.951974 2.806577 4.833359 3.949664 3.034150 4.536171 3.827930 3.035980 6.581430 0.000000 8.067931 6.015056 5.525973 7.445867 6.986045 4.441050 6.988276 4.229713 3.092880 6.033613 5.760463 6.189141 4.900562 6.215313 5.458288 2.126355 1.096008 4.728142 2.166724 2.845026 4.133662 6.383365 3.497285 6.239838 5.622711 4.738180 6.083391 5.385787 4.418556 7.938210 1.760827 0.000000 8.612386 7.068569 7.050914 8.396731 6.956176 5.688752 6.378903 4.910632 3.997367 6.327092 6.474646 6.075748 5.466021 5.817133 6.223887 2.815203 2.172288 5.038102 1.095401 2.867057 4.120531 6.922610 2.163749 6.413725 5.624606 5.421377 5.783485 5.595001 6.090297 6.984073 3.072364 2.498386 0.000000 9.404762 7.207734 6.982630 8.592450 7.265952 4.472741 5.279462 5.584619 4.386845 7.393907 6.395235 5.906317 4.747838 5.137310 6.773871 3.467964 2.147512 6.091487 1.094418 4.114618 5.431735 7.734320 2.160471 6.474440 5.084362 4.310588 4.741957 4.299051 5.166240 6.151864 2.489288 2.437915 1.749775 0.000000 7.145219 6.387081 6.418701 7.619611 6.729916 6.698312 8.235995 3.753362 3.366084 4.605052 6.352676 6.611365 6.288453 7.130439 5.118698 2.169432 2.742381 3.370224 2.976819 1.082212 2.134356 5.475446 3.828336 6.438102 6.554848 6.591174 7.401569 7.171965 6.585241 8.788925 3.787731 2.793414 2.370689 3.841028 0.000000 5.479884 6.051597 6.440577 6.938801 6.283065 8.222788 9.750384 3.369348 3.919398 2.821432 6.447314 7.009010 7.324664 8.193341 4.374574 3.430646 4.707818 2.150230 5.146878 2.160165 1.082017 4.061965 5.498744 6.418150 7.429149 8.007986 8.810561 8.767293 7.819738 10.095630 5.535666 4.933695 4.666497 6.153206 2.513485 0.000000 8.998351 7.203899 7.468379 8.386913 6.191799 5.456999 4.351735 5.634836 4.745419 7.129808 6.098193 4.828294 4.661783 4.003966 6.668501 4.091518 3.512290 6.007726 2.176861 4.519813 5.487749 7.463348 1.092700 5.633581 4.300503 4.663222 4.023117 4.374196 6.241185 4.664631 3.806830 4.325181 2.495072 2.507854 4.430427 6.116415 0.000000 7.233906 5.638120 6.047903 6.789279 4.698347 5.165932 5.069588 3.950747 3.236523 5.408100 4.697551 3.777327 3.948155 3.856170 4.952939 2.794006 2.834134 4.333946 2.184097 3.261942 4.020877 5.702158 1.093717 4.239849 3.630177 4.394516 4.320186 4.606665 5.575953 5.386036 3.170997 3.840698 2.545464 3.080633 3.540846 4.760162 1.766405 0.000000 8.212710 5.866609 6.016585 7.086632 5.205699 3.805544 3.589764 4.807407 3.748730 6.666559 4.646713 3.559052 2.923437 2.764263 5.679715 3.476636 2.823450 5.561328 2.169089 4.416794 5.382432 6.713055 1.090791 4.393000 2.775247 2.945376 2.793106 2.910141 4.577645 4.255513 2.626926 3.799936 3.071170 2.504055 4.660031 6.246016 1.763808 1.764689 0.000000 6.662566 4.738552 5.645842 5.251238 2.425125 5.488839 4.607192 5.041338 4.800609 6.307937 3.224284 1.010811 3.217961 2.403926 4.995797 5.456999 5.767260 5.874671 5.706725 6.284424 6.475184 5.812767 4.426145 2.029955 2.033424 4.305933 3.732486 4.578218 5.780569 4.475746 5.381533 6.847834 6.392401 6.327682 7.004145 7.301385 4.860401 3.931324 3.881011 0.000000 10.581062 7.370582 7.058826 8.503964 7.299801 2.629216 2.600180 7.377781 6.164324 9.532330 6.015522 5.148031 3.370945 3.383352 7.944763 6.189262 5.104885 8.478694 4.892761 7.438032 8.495328 9.243058 4.542197 6.177385 3.762459 2.169534 2.172754 1.078800 4.069119 4.035818 4.282390 5.658250 5.930774 4.420169 7.672312 9.466013 4.834892 5.335101 3.577697 5.635868 0.000000 7.029948 3.720692 2.859300 5.056375 5.420354 2.107691 6.204018 3.981085 2.939580 6.181349 3.317193 4.485543 2.619427 4.918410 4.355644 3.574105 3.301143 5.274126 4.495802 4.963148 5.681377 5.719844 4.753029 4.362152 3.875906 2.709397 4.943625 4.038277 1.090725 7.273882 2.357457 3.684771 5.398780 4.746018 5.628831 6.749818 5.779258 4.894123 4.196728 5.457741 4.575868 0.000000 7.694013 4.082160 3.225224 5.101309 5.730007 2.096230 6.170928 5.290274 4.445853 7.386284 3.492048 4.633179 2.703938 4.957647 5.282634 5.252174 4.966145 6.665838 5.968297 6.649211 7.264716 6.665614 5.958984 4.599052 3.961522 2.714902 4.933308 4.004809 1.091131 7.259248 3.936828 5.394880 6.958321 6.101911 7.357102 8.342673 6.897156 6.124340 5.166614 5.617193 4.507135 1.779481 0.000000 8.590665 5.183833 4.066727 6.375710 7.035921 2.019925 6.700054 5.704579 4.661136 7.862566 4.830279 5.896403 3.723518 5.893673 6.023535 5.106559 4.495735 6.960048 5.592337 6.459111 7.282798 7.372635 6.013495 5.920848 5.054316 3.242207 5.575724 4.368154 1.087344 7.954927 3.515769 4.577678 6.526945 5.520717 6.977987 8.323715 6.939771 6.376626 5.362931 6.862463 4.540871 1.789455 1.786048 0.000000 10.782055 8.350834 8.812153 9.011055 6.560037 6.194914 2.091997 8.549816 7.814420 10.148115 6.667874 4.532775 4.922449 2.658499 8.810498 8.045033 7.574711 9.429538 6.929969 8.989059 9.639330 9.796024 5.621352 5.922940 3.921673 4.938415 2.700540 4.012106 7.257804 1.091197 7.051471 8.528477 7.716373 6.943116 9.348451 10.458358 5.431873 5.879298 4.834223 4.152592 4.515626 7.446130 7.232407 8.147017 0.000000 10.464923 8.293653 8.772823 9.114563 6.448661 6.189951 2.091665 7.911808 7.147188 9.434144 6.690709 4.515791 4.931816 2.659915 8.407955 7.125709 6.627311 8.612433 5.717360 7.892479 8.601715 9.311046 4.353148 5.878799 3.923943 4.940717 2.702370 4.009203 7.275303 1.091374 6.326134 7.572683 6.356188 5.759170 8.109683 9.331666 3.927641 4.656319 3.805310 4.093754 4.508609 7.265225 7.479762 8.150117 1.780018 0.000000 12.041700 9.591553 9.922823 10.410454 7.951255 6.695977 2.015241 9.421015 8.542596 11.082070 7.942449 5.869725 5.876693 3.731024 9.898434 8.513102 7.801990 10.218781 6.893150 9.380159 10.195643 10.896438 5.717877 7.273617 5.060065 5.565446 3.240869 4.350188 7.949918 1.087937 7.380176 8.647959 7.593961 6.685912 9.542461 10.961929 5.260817 6.216961 5.062016 5.547198 4.496639 8.160479 8.127496 8.715148 1.790949 1.791311 0.000000 5.686922 2.312233 2.485891 3.411822 3.162562 3.372632 5.755309 3.454110 2.943443 5.390507 1.029629 2.435668 1.797349 3.780278 3.294416 4.042135 4.346517 4.806015 5.178362 5.284370 5.605694 4.633872 4.729863 2.048105 2.454757 2.956768 4.427106 4.170936 2.871160 6.441094 3.613353 5.158517 6.038705 5.724655 6.170795 6.654884 5.689229 4.468024 4.089697 3.436206 5.105767 2.431779 2.602881 3.898598 6.327199 6.347870 7.476223 0.000000 C16H18ClN7O5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 437.73309999999975 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;1;8;9;10;11;12;13;14;3;4;5;6;7;2;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0O0O0O0O0O0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1566,-1.0667,-.9688;2.0901,-1.5647,.9198;1.8083,-1.2159,2.3074;2.9207,-2.6962,.5743;1.0614,-1.9164,-1.9719;-2.7864,-.1962,2.7026;-5.5701,-.5134,-1.0471;2.0902,1.0629,.0785;.8801,1.3349,.6038;4.0219,1.3453,-1.0406;.5415,-1.735,.2681;-1.1153,-1.6251,-1.3777;-1.9527,-.9601,.6999;-3.3467,-1.0968,-1.2247;2.7384,-.1559,.0822;.4696,2.5789,.4661;-.8862,2.9069,1.0403;2.9111,1.9483,-.6183;-1.8864,3.4377,-.0056;1.241,3.5823,-.1954;2.4558,3.272,-.7441;3.9216,.0723,-.6252;-2.1949,2.426,-1.1108;.2526,-1.7689,-1.0842;-2.1799,-1.2162,-.5889;-2.9844,-.5053,1.419;-4.367,-.66,-.4813;-4.2499,-.3289,.8706;-1.4829,-.4559,3.2753;-5.7108,-.8405,-2.4418;-1.2859,2.0072,1.5112;-.7558,3.6558,1.8299;-1.5056,4.366,-.4451;-2.8096,3.7062,.5173;.8473,4.5884,-.259;3.0736,3.9933,-1.2625;-2.9052,2.836,-1.8328;-1.2922,2.1377,-1.6571;-2.6332,1.5198,-.6906;-1.3251,-1.7299,-2.3609;-5.0858,.0334,1.4484;-.6984,.0875,2.747;-1.26,-1.5238,3.2521;-1.558,-.1113,4.3038;-5.4665,-1.889,-2.6198;-5.0628,-.2105,-3.0535;-6.757,-.6481,-2.6701;-.2146,-1.3841,.8725; 0.2281879 0.1008202 0.0900336 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= 1348 RedAO= T EigKep= 1.79D-06 NBF= 1348 NBsUse= 1345 1.00D-06 EigRej= 7.43D-07 NBFU= 1345 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= 1474 1468 1468 1470 1474 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2238.74421749631 -2238.89587231788 -0.151654821568 -2238.89019769727 0.005674620607 -2238.89898550564 -0.008787808370 -2238.89922920848 -0.000243702845 -2238.89926582689 -0.000036618409 -2238.89927659581 -0.000010768918 -2238.89927713861 -0.000000542802 -2238.89927722322 -0.000000084612 -2238.89927723451 -0.000000011288 -2238.89927723590 -0.000000001387 -2238.89927723644 -0.000000000537 -2238.89927724 12 2.231219534985e+03 -1.244954957684e+04 4.385721501346e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1410882160 LenY= 1408545848 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. PT76109.500S Mon Sep 9 23:34:10 2024 -101.56073 -89.07068 -19.18922 -19.18915 -19.13010 -19.13008 -19.11512 -14.45267 -14.38695 -14.37826 -14.36167 -14.33841 -14.33412 -14.33129 -10.33256 -10.31656 -10.30441 -10.30289 -10.28365 -10.27394 -10.25552 -10.25130 -10.24051 -10.23536 -10.23144 -10.22152 -10.20045 -10.19442 -10.19388 -10.17542 -9.47551 -8.12409 -7.23979 -7.23074 -7.22986 -6.08841 -6.08673 -6.08569 -1.13045 -1.11388 -1.10867 -1.10403 -1.08236 -1.02975 -1.01865 -0.99907 -0.95543 -0.93112 -0.91300 -0.89821 -0.87776 -0.83572 -0.82205 -0.81730 -0.77853 -0.75958 -0.73377 -0.72199 -0.71449 -0.69907 -0.67790 -0.67400 -0.64914 -0.63340 -0.62263 -0.60124 -0.59297 -0.58698 -0.57343 -0.55319 -0.54005 -0.53672 -0.52824 -0.52148 -0.51576 -0.51279 -0.50730 -0.49795 -0.49480 -0.49417 -0.47763 -0.47649 -0.46949 -0.46499 -0.46029 -0.45849 -0.44971 -0.44274 -0.44177 -0.43722 -0.42800 -0.41461 -0.40972 -0.39056 -0.38695 -0.38455 -0.38015 -0.37782 -0.37267 -0.36836 -0.36630 -0.36142 -0.35773 -0.35220 -0.34460 -0.34104 -0.33842 -0.32565 -0.31741 -0.31385 -0.30872 -0.30677 -0.30333 -0.29985 -0.29675 -0.27712 -0.25963 -0.25566 -0.08916 -0.05574 -0.04724 -0.03755 -0.01880 -0.00979 -0.00581 0.00132 0.00371 0.01027 0.01262 0.01332 0.01487 0.02057 0.02423 0.02591 0.03143 0.03567 0.03649 0.04402 0.04486 0.04724 0.05060 0.05550 0.05804 0.06015 0.06534 0.06720 0.06972 0.07098 0.07209 0.07846 0.08054 0.08252 0.08538 0.08753 0.09401 0.09609 0.09711 0.09805 0.10064 0.10180 0.10360 0.10937 0.11035 0.11337 0.11566 0.11831 0.11867 0.12262 0.12520 0.12809 0.13037 0.13161 0.13530 0.13619 0.13928 0.14173 0.14446 0.14601 0.14736 0.14996 0.15038 0.15361 0.15862 0.16092 0.16267 0.16517 0.16759 0.17042 0.17203 0.17450 0.17520 0.17930 0.18250 0.18461 0.18648 0.19005 0.19312 0.19389 0.19462 0.19690 0.19763 0.19880 0.20383 0.20564 0.20621 0.20776 0.21039 0.21401 0.21859 0.21924 0.22349 0.22363 0.22692 0.22875 0.23078 0.23254 0.23706 0.23759 0.24101 0.24195 0.24505 0.24964 0.25025 0.25231 0.25530 0.26072 0.26146 0.26232 0.26710 0.26835 0.27083 0.27235 0.27563 0.27837 0.28096 0.28351 0.28519 0.28765 0.28973 0.29128 0.29595 0.29694 0.30019 0.30099 0.30369 0.30453 0.30643 0.31011 0.31301 0.31556 0.31721 0.32130 0.32460 0.32617 0.32662 0.33061 0.33442 0.33708 0.33817 0.34096 0.34308 0.34663 0.34815 0.35259 0.35513 0.35726 0.35984 0.36129 0.36406 0.36660 0.36980 0.37064 0.37246 0.37459 0.37664 0.37823 0.38082 0.38553 0.38703 0.39269 0.39439 0.39720 0.40099 0.40335 0.40576 0.40923 0.41107 0.41268 0.41735 0.41992 0.42380 0.42774 0.42912 0.43445 0.43723 0.43792 0.44288 0.44637 0.44896 0.45074 0.45365 0.45908 0.46135 0.46446 0.46556 0.47026 0.47360 0.47510 0.47796 0.48097 0.48244 0.49153 0.49295 0.49510 0.50237 0.50485 0.50571 0.50695 0.51184 0.51435 0.51815 0.52213 0.52684 0.53245 0.53575 0.53705 0.54091 0.54218 0.54678 0.54747 0.55098 0.55542 0.55918 0.56261 0.56574 0.56846 0.57222 0.57579 0.58166 0.58322 0.59002 0.59127 0.59453 0.59606 0.59808 0.60083 0.61176 0.61542 0.61930 0.62065 0.62311 0.62487 0.62786 0.63055 0.63397 0.63853 0.63899 0.64210 0.64462 0.64896 0.65105 0.65318 0.65519 0.66227 0.66333 0.66622 0.66789 0.67086 0.67438 0.67780 0.68206 0.68576 0.68803 0.69203 0.69318 0.69492 0.69767 0.70351 0.70748 0.70965 0.71099 0.71478 0.72128 0.72552 0.72881 0.73646 0.73765 0.74007 0.74174 0.74610 0.74712 0.75103 0.75578 0.75814 0.76249 0.76543 0.76744 0.77005 0.77498 0.77834 0.78059 0.78556 0.78893 0.79358 0.80084 0.80595 0.80735 0.81285 0.81512 0.82036 0.82482 0.82700 0.83076 0.83318 0.83724 0.84134 0.84845 0.85329 0.86075 0.86288 0.86685 0.86812 0.87391 0.88023 0.88264 0.88501 0.88810 0.88942 0.89376 0.89640 0.89881 0.90506 0.91360 0.91692 0.92082 0.92402 0.92834 0.93447 0.93796 0.93901 0.94453 0.94942 0.95739 0.96196 0.96474 0.97080 0.97354 0.97605 0.98179 0.98868 0.99012 0.99044 0.99667 1.00055 1.00215 1.00713 1.00948 1.01272 1.01798 1.02357 1.03196 1.03335 1.03619 1.03859 1.04238 1.04919 1.05378 1.05590 1.05917 1.07069 1.07239 1.07572 1.07934 1.08127 1.08477 1.09035 1.09378 1.09939 1.10048 1.10387 1.10829 1.11378 1.12164 1.12348 1.12381 1.12838 1.13734 1.13771 1.13995 1.14288 1.14559 1.15015 1.15336 1.15468 1.15803 1.15917 1.16157 1.16540 1.17035 1.17601 1.17703 1.18274 1.18371 1.18585 1.18670 1.19038 1.19697 1.19843 1.20423 1.20699 1.20996 1.21474 1.21850 1.22072 1.22411 1.22611 1.23397 1.23829 1.24527 1.24569 1.24850 1.24997 1.25294 1.25664 1.26016 1.26351 1.26705 1.27119 1.27150 1.28063 1.28325 1.28866 1.29137 1.29631 1.30157 1.30490 1.30608 1.31046 1.31486 1.32034 1.32353 1.32680 1.33058 1.33667 1.34026 1.34734 1.35172 1.35453 1.36020 1.36259 1.36674 1.37140 1.37225 1.37796 1.38459 1.38600 1.39212 1.39675 1.40186 1.40481 1.41088 1.41279 1.41929 1.42126 1.42817 1.43237 1.43941 1.44351 1.44881 1.45239 1.45411 1.45774 1.46174 1.46870 1.47491 1.47565 1.47870 1.48162 1.48997 1.49090 1.49309 1.50290 1.50611 1.50723 1.51204 1.51595 1.51976 1.52445 1.53482 1.54290 1.54483 1.54697 1.55413 1.55997 1.56618 1.56980 1.57476 1.57733 1.58955 1.59519 1.59876 1.60457 1.60848 1.61260 1.61573 1.62176 1.63285 1.63529 1.63742 1.64302 1.65861 1.66644 1.66797 1.67713 1.68049 1.68968 1.69212 1.69754 1.70983 1.71225 1.71629 1.72183 1.72690 1.73462 1.73788 1.75127 1.75790 1.76529 1.77382 1.77658 1.77989 1.78444 1.79720 1.80109 1.81048 1.81622 1.82486 1.82987 1.83794 1.84176 1.84662 1.85203 1.85883 1.86024 1.86714 1.87073 1.88271 1.89057 1.89304 1.90320 1.90933 1.92487 1.92906 1.93430 1.93729 1.94066 1.94548 1.95677 1.95781 1.96138 1.97385 1.97712 1.98485 1.98875 1.99455 2.00670 2.00744 2.01411 2.01555 2.02116 2.02387 2.03471 2.04314 2.04727 2.05494 2.06251 2.06650 2.07697 2.08038 2.08661 2.09395 2.09497 2.10212 2.10788 2.11334 2.11686 2.12705 2.13122 2.13456 2.14366 2.15143 2.15738 2.16347 2.17054 2.17259 2.17729 2.18242 2.19303 2.19833 2.20060 2.20520 2.21994 2.22681 2.23050 2.23504 2.23770 2.24678 2.25231 2.26578 2.27356 2.28061 2.28771 2.28913 2.29570 2.30622 2.31485 2.32200 2.33629 2.33956 2.35079 2.37468 2.37639 2.38491 2.38559 2.38855 2.40036 2.40868 2.41749 2.42518 2.43110 2.43875 2.45161 2.45504 2.46290 2.47470 2.48946 2.49994 2.51313 2.52563 2.53121 2.54046 2.54639 2.55684 2.55809 2.57622 2.58105 2.59468 2.60270 2.61202 2.62705 2.63397 2.64706 2.65199 2.65767 2.66191 2.66744 2.69316 2.70243 2.70407 2.71648 2.73291 2.74574 2.75124 2.75325 2.75931 2.77386 2.78394 2.79008 2.79080 2.80188 2.80788 2.81570 2.82068 2.82562 2.83900 2.84141 2.85001 2.85721 2.86429 2.86596 2.87428 2.88186 2.89083 2.89478 2.89927 2.90613 2.91048 2.91669 2.91933 2.92305 2.93106 2.93725 2.94505 2.94767 2.95128 2.95764 2.96126 2.96925 2.97501 2.98144 2.98947 2.99449 2.99699 3.00597 3.01428 3.01752 3.02259 3.02780 3.03278 3.03734 3.04321 3.04957 3.05399 3.06640 3.07241 3.07757 3.08177 3.08357 3.09016 3.09425 3.10081 3.11105 3.11811 3.12279 3.13469 3.14336 3.15381 3.16103 3.16311 3.18127 3.18873 3.19272 3.19727 3.20072 3.21495 3.21959 3.22765 3.23076 3.24468 3.24818 3.25232 3.25999 3.26952 3.27105 3.28624 3.28959 3.29181 3.29878 3.30809 3.31100 3.31915 3.32152 3.32631 3.33315 3.33906 3.34114 3.35337 3.36134 3.36686 3.37288 3.37312 3.38187 3.39237 3.39955 3.40442 3.41988 3.42369 3.43062 3.43745 3.44098 3.46263 3.47043 3.47144 3.47800 3.48657 3.49289 3.49497 3.50120 3.51422 3.51986 3.52463 3.53253 3.53849 3.54568 3.55926 3.56105 3.56803 3.57073 3.57836 3.58250 3.58672 3.59978 3.60192 3.60622 3.61026 3.61329 3.61728 3.63204 3.63932 3.64119 3.65144 3.65175 3.65443 3.67107 3.67240 3.67991 3.68731 3.69749 3.70708 3.71246 3.71685 3.72138 3.72880 3.73499 3.74016 3.74521 3.74750 3.76329 3.77357 3.78716 3.78985 3.80227 3.80553 3.81413 3.81953 3.82240 3.82921 3.83380 3.84606 3.85654 3.86266 3.86608 3.87267 3.88492 3.89576 3.90830 3.91589 3.93121 3.93222 3.93706 3.93987 3.95321 3.95455 3.96410 3.97219 3.97786 3.98835 4.01081 4.01834 4.02647 4.03274 4.04725 4.05271 4.07195 4.07391 4.08171 4.09104 4.10409 4.11018 4.13137 4.14135 4.15152 4.15855 4.16618 4.17022 4.18526 4.19545 4.19835 4.20230 4.21148 4.21242 4.22877 4.22890 4.23864 4.25033 4.25308 4.25833 4.26474 4.27445 4.27743 4.28240 4.29446 4.30251 4.31145 4.31342 4.32602 4.33456 4.33551 4.34554 4.36033 4.36199 4.36418 4.36881 4.37956 4.38393 4.39151 4.39626 4.40238 4.41058 4.41271 4.41633 4.42465 4.43252 4.44639 4.46058 4.46414 4.46789 4.47552 4.47992 4.48938 4.49877 4.50449 4.51357 4.51907 4.53288 4.54007 4.55214 4.55755 4.56833 4.57492 4.57960 4.58548 4.59325 4.59506 4.60455 4.61241 4.62575 4.63182 4.63394 4.64802 4.64976 4.65883 4.66300 4.67091 4.68024 4.69248 4.70152 4.71024 4.71821 4.72372 4.72577 4.74365 4.74935 4.76492 4.77241 4.79559 4.81237 4.82698 4.83570 4.84053 4.86305 4.88924 4.89118 4.90169 4.93484 4.95141 4.95639 4.97241 4.99409 5.00111 5.02835 5.02937 5.04566 5.05239 5.05553 5.06971 5.07542 5.09623 5.10446 5.11128 5.11351 5.13362 5.14683 5.14982 5.17231 5.17876 5.18752 5.19684 5.20085 5.21691 5.23306 5.24130 5.24908 5.25696 5.25879 5.27332 5.28392 5.29897 5.30721 5.31346 5.32543 5.33508 5.36532 5.37392 5.39292 5.39347 5.40828 5.41478 5.43438 5.43861 5.46098 5.46807 5.47229 5.49504 5.51340 5.52442 5.54301 5.54627 5.55401 5.57303 5.62006 5.63898 5.64437 5.66068 5.66967 5.67258 5.68806 5.69357 5.70008 5.72024 5.75364 5.76712 5.77331 5.79170 5.79690 5.81116 5.81498 5.81689 5.82682 5.84524 5.85483 5.86033 5.87571 5.89434 5.91173 5.91795 5.93430 5.94461 5.95477 5.97318 5.98256 5.99037 6.02243 6.03842 6.09618 6.13585 6.20888 6.21965 6.23862 6.26509 6.33056 6.35559 6.36718 6.39355 6.40813 6.50983 6.54816 6.58003 6.61188 6.64091 6.69061 6.83750 6.86882 6.94005 6.95631 7.00189 7.08166 7.13439 7.14207 7.16075 7.16561 7.17828 7.19223 7.20173 7.20709 7.25112 7.25296 7.25642 7.26976 7.30504 7.32130 7.33011 7.33610 7.33924 7.35093 7.35433 7.37109 7.37441 7.37670 7.38620 7.40514 7.40929 7.43015 7.44335 7.45028 7.45830 7.46510 7.48071 7.52788 7.53339 7.54664 7.55599 7.58440 7.60026 7.61537 7.63911 7.66473 7.68275 7.68912 7.70225 7.71702 7.77239 7.78905 7.83395 7.87649 7.92557 7.93122 7.94293 7.95057 7.95878 7.96682 8.00414 8.00960 8.02646 8.05060 8.06794 8.08878 8.10710 8.14521 8.14836 8.15547 8.18544 8.19514 8.27053 8.27806 8.28771 8.29441 8.35391 8.38314 8.41480 8.47086 8.50390 8.54326 8.55086 8.61117 8.61361 8.73763 9.23609 10.13261 10.22303 10.32186 10.33903 10.39780 10.43893 10.45151 10.46535 10.49504 10.49736 10.52730 10.55925 10.58301 10.61641 10.66005 10.66958 10.67924 10.71664 10.72594 10.75827 10.83930 10.85462 10.93812 10.95480 10.98726 11.09363 11.11974 11.15171 11.16549 11.29164 11.35982 11.46260 11.52241 11.70171 11.88237 11.98462 14.34941 14.38056 14.39337 14.40270 14.41124 14.41914 14.42824 14.45753 14.46858 14.47523 14.48148 14.49937 14.51279 14.52539 14.53710 14.54646 14.66090 14.70469 14.81620 14.88548 15.00137 15.02299 15.07916 15.10487 15.11478 17.87701 17.99214 18.27711 24.28720 24.29062 24.31211 24.38960 24.46668 24.50022 24.56675 24.63605 25.09728 25.17291 25.22852 25.23022 25.23816 25.26808 25.57690 25.64351 26.13010 26.89197 28.58506 35.97469 36.12616 36.13477 36.26296 36.31096 36.36045 36.41124 50.08895 50.21934 50.26255 50.27390 50.50126 190.29642 216.14709 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Cl S O O O O O N N N N N N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.475372 0.682140 -0.532616 -0.442329 -0.733324 -0.672992 -0.608319 -0.667880 -0.362531 -0.923691 -0.545539 -0.998235 -0.799471 -0.973347 0.656897 0.692418 -0.311869 0.533581 -0.194811 -0.300625 -0.085328 0.715244 -0.742617 1.285634 1.336905 0.869257 0.794808 -0.457440 -0.263088 -0.109811 0.269682 0.145244 0.142646 0.140620 0.145964 0.162037 0.141489 0.174569 0.369808 0.248438 0.152933 0.290723 0.184599 0.154644 0.169951 0.172490 0.149449 0.419068 -0.00000 -7.6053 6.2527 -0.4291 9.8550 -196.1231 -179.2277 -187.4105 13.4361 9.3800 1.0991 -8.5360 8.3594 0.1766 13.4361 9.3800 1.0991 -134.0515 62.3141 9.0940 -17.1248 -8.9690 -40.2040 -59.7741 -6.6949 -5.5696 -6.5256 -10340.5010 -3620.2206 -2138.6036 -47.9625 401.0775 111.4268 -25.1889 81.9139 21.3815 -2390.5386 -2010.6493 -1014.4733 95.0450 -22.9508 35.1364 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ12 ALCAMI 2024-09-09T00:00:00.000 0 Single Point CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2238.8992772 RMSD=7.367e-09 Dipole=3.0991311,2.1427216,-0.9149881 Quadrupole=-7.1328847,4.7737775,2.3591072,-5.2342232,10.4654059,-3.4656797 PG=C01 [X(C16H18Cl1N7O5S1)] 0 -5.1481334561 -0.2610963312 1.3008235486 0 -2.1167275596 -1.6871310887 -0.1118697888 0 -1.8271741505 -2.0153351443 -1.5028047851 0 -2.9948436524 -2.5042792481 0.6948326748 0 -1.0893529589 -0.7365022772 2.6421771199 0 2.8061024672 -1.4781204936 -2.245648052 0 5.5927832298 -0.182538677 1.2850054997 0 -1.9959725596 1.0344706617 -0.5485261247 0 -0.7777623248 0.9886232574 -1.1214686005 0 -3.9072349023 1.8729321919 0.2925209306 0 -0.5738388998 -1.6091975702 0.5701445767 0 1.094876922 -0.8367993165 2.0139200362 0 1.9499564794 -1.2184946154 -0.1269067365 0 3.3466992261 -0.5288236228 1.6729493094 0 -2.6975068104 -0.0260522678 -0.0111223872 0 -0.3118172628 2.1420688365 -1.554331615 0 1.0541885184 2.1179177131 -2.1939631475 0 -2.7730946699 2.1727452416 -0.3396374585 0 2.0824420496 3.0216465932 -1.4854976601 0 -1.0343830284 3.3674842852 -1.4294708599 0 -2.2588532714 3.389958871 -0.8184088489 0 -3.8657002423 0.5467119825 0.4986820286 0 2.3515799318 2.6068712347 -0.0378257721 0 -0.2795544663 -1.0402441448 1.7960835236 0 2.1723784688 -0.8737322228 1.1418695975 0 2.9969636139 -1.1816638918 -0.9580036691 0 4.381428713 -0.5184300299 0.8280745018 0 4.2719339464 -0.8296355538 -0.5291097103 0 1.4893073699 -1.9136735802 -2.6591136079 0 5.726251832 0.150573855 2.6789961176 0 1.4110548699 1.0865835481 -2.20139084 0 0.9529381373 2.4337577557 -3.2385813193 0 1.7454991328 4.0634094798 -1.5186938027 0 3.0138371446 2.9858961218 -2.0590609176 0 -0.5961659647 4.2761642009 -1.8211971902 0 -2.8413322918 4.2929175338 -0.6913502853 0 3.0832098077 3.2687963259 0.4318194821 0 1.4399514928 2.6348119788 0.5658049989 0 2.7470889131 1.5911462208 0.0034152075 0 1.305034054 -0.494573641 2.9415268996 0 5.1199762242 -0.8030534207 -1.195387593 0 0.7324830295 -1.1578753631 -2.445415576 0 1.2194681435 -2.8453554954 -2.1593912437 0 1.5742107873 -2.0747428485 -3.7311045563 0 5.4366852623 -0.6929322125 3.3077716395 0 5.1100322959 1.0156194659 2.9301289843 0 6.7811050576 0.3813378117 2.8118098207 0 0.1939143392 -1.6014525297 -0.1158809858