Gaussian 16 GINC-GARGANTILLA APULGAR Optimization benzobicyclon CONF5 gas EM64L-G16RevC.01 15-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 116 116 776 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C22H19ClO4S2)] C1[X(C22H19ClO4S2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 427.8159999999997 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2729,1.4037,1.3072;-3.8575,.232,-.326;4.5755,-1.7808,1.045;.6053,2.1999,-1.9265;-1.2414,-.9693,-2.0835;4.6091,-1.4057,2.4484;4.8306,-3.1466,.6215;-3.3135,2.7458,-1.0727;-1.2636,3.6802,-1.7049;-2.6738,3.471,-2.2501;-2.8856,3.6014,.1399;-1.5319,4.2114,-.2787;-2.6982,1.3738,-.9446;-.5644,2.3415,-1.6454;-1.3911,1.1908,-1.2283;-.7445,-.1433,-1.3574;.5579,-.4658,-.6841;-2.9332,-1.0926,.3952;1.0869,.1411,.454;1.2839,-1.5117,-1.2546;-2.2188,-.8716,1.5659;-2.9724,-2.3571,-.178;2.296,-.2685,.9936;2.4981,-1.9258,-.7457;2.998,-1.2862,.3758;-1.5004,-1.9099,2.1377;-2.2732,-3.3966,.4141;-1.5265,-3.1715,1.562;5.7101,-.7092,.1706;-4.3995,2.6639,-1.1531;-.6497,4.3622,-2.2932;-2.7079,2.8958,-3.1767;-3.1675,4.4291,-2.4291;-2.8217,3.0057,1.0508;-3.6284,4.3789,.3228;-1.5968,5.2996,-.3149;-.723,3.971,.4098;.8747,-2.0026,-2.1259;-2.2226,.1072,2.0237;-3.5261,-2.5182,-1.0925;2.6753,.1978,1.8928;3.0389,-2.7407,-1.2065;-.9264,-1.7334,3.0374;-2.2964,-4.3807,-.034;-.9651,-3.9807,2.0097;5.6336,-.8816,-.9003;5.489,.3295,.404;6.7131,-.9596,.5145; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-5038333/Gau-4685.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-5038333/" chk=/home/apulgar/almacen/pesticidas/27_herbicides/benzobicyclon/gaussian/gas/C #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 benzobicyclon CONF5 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 32 16 16 16 16 12 12 12 12 12 12 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 1 34.9688527 31.9720718 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 3 0 0 0 0 0 0 0 0 0 0 0 0 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 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 R51 1 2 2 3 3 3 3 4 5 8 8 8 8 9 9 9 9 10 10 11 11 11 12 12 13 14 15 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 26 26 27 27 28 29 29 29 19 13 18 6 7 25 29 14 16 10 11 13 30 10 12 14 31 32 33 12 34 35 36 37 15 15 16 17 19 20 21 22 23 24 38 26 39 27 40 25 41 25 42 28 43 28 44 45 46 47 48 1.7276 1.7408 1.769 1.453 1.4526 1.7835 1.7889 1.2112 1.2068 1.5236 1.5445 1.5091 1.0921 1.5263 1.5453 1.5115 1.09 1.0911 1.0926 1.5427 1.0903 1.0908 1.0907 1.0891 1.35 1.477 1.4882 1.5012 1.3941 1.3952 1.3892 1.3888 1.386 1.3801 1.0806 1.386 1.0806 1.3856 1.0812 1.3821 1.0816 1.3845 1.0812 1.3871 1.0817 1.3878 1.0816 1.0818 1.0873 1.0873 1.0895 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A85 A86 A87 A88 A89 A90 A91 13 6 6 6 7 7 25 10 10 10 11 11 13 10 10 10 12 12 14 8 8 8 9 9 32 8 8 8 12 12 34 9 9 9 11 11 36 2 2 8 4 4 9 13 13 14 5 5 15 16 16 19 2 2 21 1 1 17 17 17 24 18 18 26 18 18 27 19 19 25 20 20 25 3 3 23 21 21 28 22 22 28 26 26 27 3 3 3 46 46 47 2 3 3 3 3 3 3 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 18 7 25 29 25 29 29 11 13 30 13 30 30 12 14 31 14 31 31 9 32 33 32 33 33 12 34 35 34 35 35 11 36 37 36 37 37 8 15 15 9 15 15 14 16 16 15 17 17 19 20 20 21 22 22 17 23 23 24 38 38 26 39 39 27 40 40 25 41 41 25 42 42 23 24 24 28 43 43 28 44 44 27 45 45 46 47 48 47 48 48 106.7388 121.3482 108.1377 107.6265 107.8631 108.0156 102.2078 103.1027 109.0976 113.3486 108.9059 112.0136 110.094 102.4984 108.6673 114.4162 110.3924 112.3837 108.3475 100.2028 113.0906 110.7519 113.8611 110.8409 107.9962 104.4245 111.6822 109.7472 113.0385 111.1756 106.816 105.4749 108.828 112.2516 110.5626 113.132 106.5826 110.7923 129.0932 120.0089 122.7619 120.9954 116.2417 119.7164 124.0833 115.5157 119.1381 118.6908 122.0437 127.0012 115.4096 117.5661 119.5507 119.9167 120.4739 122.8606 115.7686 121.3454 122.1386 118.2404 119.6203 119.6762 119.9555 120.368 119.5001 119.9465 120.5365 119.1236 120.1509 120.722 118.5384 120.6022 120.8543 119.0604 119.683 121.2564 120.024 119.7381 120.2364 120.2175 119.6538 120.1177 120.0627 119.9228 120.0144 109.987 109.7735 106.9751 110.3993 109.8305 109.8131 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 18 18 13 13 6 6 7 7 29 29 6 6 6 7 7 7 25 25 25 11 11 11 13 13 13 30 30 30 10 10 10 13 13 13 30 30 30 10 10 11 11 30 30 12 12 12 14 14 14 31 31 31 10 10 10 14 14 14 31 31 31 10 10 12 12 31 31 8 8 8 34 34 34 35 35 35 2 2 8 8 4 4 9 9 13 13 14 14 5 5 15 15 16 16 20 20 16 16 19 19 2 2 22 22 2 2 21 21 1 1 17 17 17 17 38 38 18 18 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 44 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 13 13 18 18 25 25 25 25 25 25 29 29 29 29 29 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 8 15 21 22 23 24 23 24 23 24 46 47 48 46 47 48 46 47 48 9 32 33 9 32 33 9 32 33 12 34 35 12 34 35 12 34 35 2 15 2 15 2 15 8 32 33 8 32 33 8 32 33 11 36 37 11 36 37 11 36 37 4 15 4 15 4 15 9 36 37 9 36 37 9 36 37 14 16 14 16 13 16 13 16 5 17 5 17 19 20 19 20 1 23 1 23 24 38 24 38 26 39 26 39 27 40 27 40 25 41 25 41 25 42 25 42 28 43 28 43 28 44 28 44 3 24 3 24 3 23 3 23 27 45 27 45 26 45 26 45 -157.3511 18.851 69.6682 -113.1067 23.5921 -156.2776 156.4936 -23.3761 -89.7917 90.3386 -173.7006 -52.0395 67.0607 53.6633 175.3244 -65.5755 -59.9388 61.7223 -179.1775 47.1018 168.6725 -69.948 -68.5335 53.0372 174.4167 168.4104 -70.0189 51.3607 -29.2726 -151.7604 89.9776 86.4998 -35.9879 -154.25 -151.4826 86.0297 -32.2323 -148.1308 35.2727 100.0201 -76.5764 -23.1533 160.2502 -46.5542 -167.5744 70.4293 70.293 -50.7272 -172.7235 -168.4913 70.4885 -51.5078 28.6448 -90.0044 152.266 -86.9602 154.3906 36.661 151.956 33.3068 -84.4228 141.1047 -38.5463 -107.2231 73.1258 16.234 -163.417 0.2994 117.784 -122.7623 121.8957 -120.6197 -1.166 -117.98 -0.4954 118.9583 -175.0426 14.8767 0.8566 -169.2241 -178.7866 -7.8826 0.871 171.7751 51.2993 -132.8588 -119.1585 56.6835 -159.5626 18.6295 24.5776 -157.2304 0.6967 178.7815 -177.4611 0.6237 -179.8515 0.4666 -1.4802 178.8379 179.5961 -0.6152 2.3868 -177.8245 -178.3123 3.176 -1.1132 -179.6249 179.2047 -0.112 0.991 -178.3257 0.6838 179.8716 -179.6386 -0.4507 -1.774 178.6705 178.4382 -1.1172 -0.772 -179.5692 177.7307 -1.0665 178.295 -1.8374 -2.3923 177.4753 -179.118 1.0152 1.6963 -178.1705 -0.0945 179.9951 179.4587 -0.4517 1.3772 -178.7124 -179.8312 0.0792 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 805 A 776 A 1241 805 3453.1308737974 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= 776 RedAO= T EigKep= 1.09D-06 NBF= 776 NBsUse= 771 1.00D-06 EigRej= 7.62D-07 NBFU= 771 Berny optimization. local minimum Step number 25 out of a maximum of 288 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00272 0.00357 0.00452 0.00590 0.00886 0.01236 0.01489 0.01577 0.01644 0.01803 0.01859 0.02072 0.02159 0.02210 0.02225 0.02237 0.02255 0.02261 0.02263 0.02264 0.02273 0.02276 0.02290 0.02308 0.02315 0.02336 0.02536 0.02671 0.03098 0.03192 0.04152 0.04307 0.04509 0.04628 0.04748 0.04830 0.04976 0.05084 0.05369 0.05605 0.06063 0.06366 0.06412 0.06772 0.06860 0.06996 0.07163 0.07589 0.08716 0.08817 0.08903 0.09503 0.09984 0.11990 0.14248 0.15004 0.15940 0.15963 0.15982 0.15989 0.15995 0.15998 0.16000 0.16003 0.16011 0.16026 0.16755 0.17781 0.18312 0.21762 0.22004 0.22041 0.22350 0.23055 0.23549 0.23845 0.24107 0.24248 0.24575 0.24846 0.25002 0.25047 0.25219 0.25592 0.25731 0.26016 0.26559 0.26761 0.27398 0.27697 0.28332 0.28381 0.29963 0.30325 0.31055 0.31719 0.32910 0.33279 0.33450 0.34387 0.34551 0.34582 0.34692 0.34728 0.34769 0.34811 0.34837 0.34952 0.35120 0.35162 0.35451 0.35781 0.35797 0.35798 0.35823 0.35859 0.35889 0.36009 0.37414 0.42804 0.43249 0.43393 0.43452 0.46837 0.47617 0.47826 0.47870 0.47938 0.48372 0.48574 0.49852 0.50642 0.82019 0.84222 0.94702 0.99700 1.02395 1.18560 -3.03852156e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 3.31965 3.33587 3.39903 2.77281 2.77217 3.41459 3.41683 2.30831 2.29656 2.90332 2.94679 2.87133 2.06346 2.90403 2.94468 2.87517 2.05973 2.06353 2.06766 2.93748 2.06179 2.06429 2.06428 2.06027 2.56033 2.79762 2.83754 2.85592 2.65459 2.65444 2.64103 2.64045 2.63214 2.61719 2.04470 2.63215 2.04501 2.63070 2.04533 2.62069 2.04477 2.62859 2.04582 2.63369 2.04789 2.63634 2.04805 2.04817 2.05793 2.05795 2.06042 1.86506 2.11611 1.87958 1.88179 1.87670 1.88226 1.80291 1.79635 1.90144 1.97905 1.90937 1.95395 1.91937 1.78719 1.90360 2.00645 1.92083 1.96605 1.87808 1.74749 1.97075 1.93114 1.98231 1.93316 1.89618 1.82442 1.94348 1.91124 1.97021 1.93987 1.87490 1.83740 1.89741 1.95190 1.93126 1.97355 1.87197 1.94202 2.24910 2.09069 2.13655 2.11510 2.03141 2.09465 2.18082 2.00116 2.05676 2.08066 2.14525 2.22644 2.00589 2.04951 2.08254 2.09902 2.10020 2.16080 2.00611 2.11556 2.13590 2.04462 2.10251 2.08968 2.09188 2.10140 2.08634 2.09076 2.10512 2.07863 2.10320 2.10069 2.06337 2.11884 2.10044 2.07264 2.08711 2.12340 2.09545 2.09004 2.09767 2.09906 2.08718 2.09680 2.09496 2.09291 2.09531 1.89516 1.89514 1.84832 1.95019 1.93553 1.93577 -2.77123 0.31301 1.41391 -1.78503 0.39623 -2.73572 2.70351 -0.42844 -1.59203 1.55920 -3.04677 -0.92294 1.15687 0.92351 3.04735 -1.15603 -1.06010 1.06373 -3.13964 0.82426 2.93796 -1.21563 -1.20108 0.91262 3.04222 2.93858 -1.23090 0.89869 -0.50393 -2.63649 1.57573 1.51572 -0.61684 -2.68780 -2.63528 1.51535 -0.55562 -2.57459 0.61845 1.75712 -1.33302 -0.39565 2.79739 -0.82469 -2.93007 1.21370 1.21007 -0.89531 -3.03473 -2.96258 1.21521 -0.92420 0.51509 -1.55471 2.66483 -1.50724 2.70615 0.64250 2.68014 0.61035 -1.45329 2.52562 -0.63297 -1.80988 1.31472 0.33838 -2.82021 -0.00751 2.03945 -2.14336 2.10745 -2.12878 -0.02840 -2.06772 -0.02076 2.07962 -3.04116 0.22999 0.03885 -2.97319 3.09310 -0.16527 -0.03172 2.99309 1.20224 -1.97416 -1.81594 1.29084 -2.98930 0.09456 0.18755 -3.01177 -0.01966 3.07913 -3.10227 -0.00348 -3.08850 0.03440 0.00155 3.12444 3.12445 -0.04027 0.04025 -3.12447 -3.11521 0.07322 -0.03155 -3.12631 3.10462 0.00184 0.00225 -3.10053 0.00158 3.10792 -3.12071 -0.01436 -0.01974 3.11406 -3.13808 -0.00428 0.00241 -3.12090 3.09678 -0.02654 -3.13070 0.00104 -0.02786 3.10388 3.12875 -0.00291 0.02201 -3.10965 -0.00920 3.12791 3.14022 -0.00586 0.01794 -3.11916 3.14115 0.00405 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00004 0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00000 0.00000 -0.00000 -0.00003 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 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 0.00003 0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00003 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00004 -0.00003 0.00002 -0.00002 -0.00001 -0.00001 0.00005 -0.00001 0.00001 -0.00001 -0.00003 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00002 -0.00002 0.00003 -0.00001 -0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00010 -0.00013 0.00010 0.00012 -0.00002 0.00002 -0.00003 0.00002 -0.00003 0.00001 0.00023 0.00023 0.00024 0.00021 0.00021 0.00022 0.00022 0.00022 0.00023 0.00000 -0.00001 -0.00001 -0.00002 -0.00003 -0.00003 0.00001 0.00000 0.00000 -0.00004 -0.00009 -0.00007 -0.00004 -0.00009 -0.00007 -0.00005 -0.00009 -0.00008 -0.00000 0.00002 -0.00001 0.00001 -0.00002 0.00000 0.00003 0.00003 0.00003 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00006 -0.00009 -0.00009 -0.00005 -0.00009 -0.00008 -0.00005 -0.00008 -0.00008 -0.00003 -0.00000 -0.00003 0.00000 -0.00002 0.00001 0.00006 0.00012 0.00009 0.00012 0.00018 0.00015 0.00010 0.00016 0.00013 0.00001 0.00000 -0.00002 -0.00002 0.00004 0.00005 0.00001 0.00002 0.00009 0.00002 0.00009 0.00001 0.00009 0.00010 0.00016 0.00018 0.00004 0.00002 0.00003 0.00001 -0.00002 -0.00003 -0.00001 -0.00002 0.00004 0.00005 0.00002 0.00003 -0.00004 -0.00008 -0.00002 -0.00006 -0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00002 -0.00001 0.00002 -0.00000 0.00002 -0.00002 0.00001 0.00001 0.00001 0.00005 0.00005 0.00000 -0.00004 0.00003 -0.00001 -0.00001 0.00004 -0.00004 0.00001 -0.00001 0.00001 -0.00004 -0.00002 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00003 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00004 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00003 0.00003 -0.00001 0.00002 -0.00000 0.00001 -0.00003 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00005 -0.00005 0.00001 0.00003 -0.00004 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00003 -0.00003 0.00002 -0.00003 0.00005 -0.00000 0.00003 -0.00002 0.00006 0.00006 0.00006 0.00009 0.00009 0.00009 0.00008 0.00007 0.00008 0.00001 0.00002 0.00001 0.00003 0.00004 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00002 0.00002 -0.00001 0.00002 0.00002 0.00000 0.00003 0.00003 0.00000 -0.00002 0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00004 -0.00001 0.00004 -0.00002 0.00003 -0.00003 0.00002 -0.00002 -0.00001 -0.00002 -0.00006 -0.00005 -0.00002 -0.00006 -0.00005 -0.00003 0.00003 0.00000 0.00006 -0.00004 -0.00010 0.00001 -0.00004 -0.00009 -0.00007 -0.00004 -0.00002 -0.00003 -0.00001 -0.00005 -0.00003 -0.00000 0.00005 -0.00002 0.00003 -0.00003 -0.00003 -0.00001 -0.00001 -0.00003 -0.00001 -0.00003 -0.00001 0.00003 0.00004 0.00002 0.00004 0.00001 0.00002 -0.00004 -0.00003 0.00001 -0.00000 0.00000 -0.00001 0.00002 -0.00002 -0.00000 -0.00003 -0.00001 -0.00001 -0.00003 -0.00003 -0.00001 0.00004 -0.00003 0.00003 0.00003 -0.00002 0.00004 -0.00001 0.00000 -0.00003 0.00003 0.00000 -0.00000 0.00002 -0.00000 0.00002 0.00000 -0.00003 -0.00001 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00004 0.00002 0.00000 -0.00002 -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 -0.00003 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00003 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00003 -0.00003 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00011 -0.00011 0.00007 0.00009 -0.00000 -0.00001 0.00002 0.00001 -0.00000 -0.00001 0.00029 0.00029 0.00030 0.00030 0.00030 0.00032 0.00030 0.00030 0.00031 0.00001 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00002 0.00000 -0.00006 -0.00007 -0.00006 -0.00006 -0.00007 -0.00006 -0.00005 -0.00006 -0.00005 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00003 0.00003 0.00004 0.00000 0.00000 0.00001 0.00002 0.00001 0.00002 -0.00007 -0.00008 -0.00007 -0.00007 -0.00008 -0.00007 -0.00006 -0.00007 -0.00006 0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00002 0.00008 0.00010 0.00008 0.00010 0.00012 0.00010 0.00008 0.00010 0.00008 -0.00002 0.00003 -0.00001 0.00003 -0.00000 -0.00005 0.00002 -0.00002 0.00000 -0.00005 0.00005 -0.00000 0.00006 0.00010 0.00011 0.00015 0.00004 0.00007 0.00001 0.00004 -0.00006 -0.00005 -0.00003 -0.00002 0.00001 0.00004 -0.00001 0.00002 -0.00002 -0.00004 0.00000 -0.00002 0.00000 -0.00001 -0.00003 -0.00004 -0.00000 0.00002 -0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00003 0.00000 0.00000 0.00002 0.00003 -0.00001 -0.00000 0.00000 0.00001 0.00002 0.00002 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00002 0.00000 0.00001 -0.00000 0.00001 3.31966 3.33584 3.39903 2.77279 2.77215 3.41458 3.41683 2.30830 2.29656 2.90332 2.94675 2.87135 2.06347 2.90402 2.94468 2.87518 2.05973 2.06353 2.06766 2.93748 2.06179 2.06429 2.06428 2.06027 2.56033 2.79762 2.83753 2.85589 2.65458 2.65443 2.64103 2.64044 2.63213 2.61719 2.04470 2.63215 2.04501 2.63069 2.04533 2.62069 2.04476 2.62859 2.04582 2.63369 2.04789 2.63634 2.04805 2.04817 2.05793 2.05795 2.06042 1.86509 2.11611 1.87959 1.88179 1.87671 1.88224 1.80290 1.79634 1.90144 1.97904 1.90938 1.95395 1.91937 1.78720 1.90360 2.00645 1.92080 1.96607 1.87809 1.74750 1.97075 1.93114 1.98231 1.93316 1.89617 1.82442 1.94349 1.91124 1.97022 1.93987 1.87488 1.83740 1.89743 1.95190 1.93126 1.97355 1.87195 1.94201 2.24912 2.09069 2.13655 2.11511 2.03140 2.09465 2.18082 2.00115 2.05678 2.08064 2.14525 2.22645 2.00587 2.04952 2.08253 2.09903 2.10019 2.16080 2.00612 2.11555 2.13590 2.04463 2.10250 2.08968 2.09188 2.10139 2.08634 2.09076 2.10512 2.07863 2.10320 2.10070 2.06337 2.11883 2.10044 2.07264 2.08711 2.12339 2.09545 2.09004 2.09767 2.09906 2.08718 2.09680 2.09496 2.09291 2.09530 1.89517 1.89514 1.84833 1.95018 1.93551 1.93577 -2.77134 0.31290 1.41398 -1.78494 0.39623 -2.73573 2.70353 -0.42843 -1.59203 1.55920 -3.04648 -0.92265 1.15718 0.92382 3.04765 -1.15571 -1.05980 1.06403 -3.13933 0.82428 2.93798 -1.21563 -1.20107 0.91263 3.04221 2.93859 -1.23089 0.89869 -0.50398 -2.63656 1.57567 1.51567 -0.61691 -2.68786 -2.63532 1.51529 -0.55567 -2.57459 0.61845 1.75713 -1.33302 -0.39566 2.79738 -0.82465 -2.93004 1.21374 1.21008 -0.89531 -3.03472 -2.96257 1.21523 -0.92418 0.51502 -1.55479 2.66476 -1.50731 2.70607 0.64244 2.68008 0.61028 -1.45336 2.52563 -0.63298 -1.80987 1.31470 0.33839 -2.82023 -0.00743 2.03955 -2.14328 2.10754 -2.12866 -0.02830 -2.06764 -0.02066 2.07970 -3.04118 0.23002 0.03883 -2.97315 3.09310 -0.16532 -0.03170 2.99307 1.20224 -1.97421 -1.81590 1.29084 -2.98924 0.09466 0.18766 -3.01163 -0.01962 3.07920 -3.10227 -0.00344 -3.08855 0.03435 0.00152 3.12442 3.12446 -0.04022 0.04024 -3.12445 -3.11522 0.07318 -0.03155 -3.12633 3.10463 0.00183 0.00223 -3.10057 0.00157 3.10795 -3.12072 -0.01435 -0.01973 3.11407 -3.13810 -0.00430 0.00241 -3.12090 3.09680 -0.02651 -3.13071 0.00104 -0.02786 3.10389 3.12877 -0.00290 0.02202 -3.10965 -0.00921 3.12789 3.14021 -0.00588 0.01794 -3.11915 3.14115 0.00406 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.001053 0.000179 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.755306e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 2 2 3 3 3 3 4 5 8 8 8 8 9 9 9 9 10 10 11 11 11 12 12 13 14 15 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 26 26 27 27 28 29 29 29 19 13 18 6 7 25 29 14 16 10 11 13 30 10 12 14 31 32 33 12 34 35 36 37 15 15 16 17 19 20 21 22 23 24 38 26 39 27 40 25 41 25 42 28 43 28 44 45 46 47 48 1.7567 1.7653 1.7987 1.4673 1.467 1.8069 1.8081 1.2215 1.2153 1.5364 1.5594 1.5194 1.0919 1.5367 1.5583 1.5215 1.09 1.092 1.0942 1.5544 1.0911 1.0924 1.0924 1.0902 1.3549 1.4804 1.5016 1.5113 1.4047 1.4047 1.3976 1.3973 1.3929 1.385 1.082 1.3929 1.0822 1.3921 1.0823 1.3868 1.082 1.391 1.0826 1.3937 1.0837 1.3951 1.0838 1.0838 1.089 1.089 1.0903 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A85 A86 A87 A88 A89 A90 A91 13 6 6 6 7 7 25 10 10 10 11 11 13 10 10 10 12 12 14 8 8 8 9 9 32 8 8 8 12 12 34 9 9 9 11 11 36 2 2 8 4 4 9 13 13 14 5 5 15 16 16 19 2 2 21 1 1 17 17 17 24 18 18 26 18 18 27 19 19 25 20 20 25 3 3 23 21 21 28 22 22 28 26 26 27 3 3 3 46 46 47 2 3 3 3 3 3 3 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 18 7 25 29 25 29 29 11 13 30 13 30 30 12 14 31 14 31 31 9 32 33 32 33 33 12 34 35 34 35 35 11 36 37 36 37 37 8 15 15 9 15 15 14 16 16 15 17 17 19 20 20 21 22 22 17 23 23 24 38 38 26 39 39 27 40 40 25 41 41 25 42 42 23 24 24 28 43 43 28 44 44 27 45 45 46 47 48 47 48 48 106.8603 121.2441 107.6922 107.8185 107.527 107.8457 103.2992 102.923 108.9445 113.3912 109.399 111.9529 109.972 102.3985 109.0682 114.9611 110.0557 112.6467 107.6063 100.1238 112.9155 110.6459 113.5782 110.7617 108.6433 104.5314 111.3533 109.506 112.8849 111.1463 107.4239 105.2752 108.7135 111.8358 110.6531 113.0762 107.2558 111.2693 128.8641 119.7878 122.4151 121.1865 116.3911 120.0143 124.952 114.6581 117.8436 119.2133 122.9137 127.5655 114.9289 117.4283 119.3205 120.265 120.3323 123.8045 114.9419 121.2125 122.3782 117.1482 120.4648 119.7297 119.8557 120.4012 119.5385 119.7917 120.6147 119.0968 120.5047 120.3609 118.2222 121.4007 120.3461 118.7534 119.5826 121.6617 120.0604 119.7505 120.1876 120.2675 119.5864 120.1378 120.0322 119.9151 120.0523 108.5847 108.5833 105.9008 111.7378 110.8976 110.9114 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 18 18 13 13 6 6 7 7 29 29 6 6 6 7 7 7 25 25 25 11 11 11 13 13 13 30 30 30 10 10 10 13 13 13 30 30 30 10 10 11 11 30 30 12 12 12 14 14 14 31 31 31 10 10 10 14 14 14 31 31 31 10 10 12 12 31 31 8 8 8 34 34 34 35 35 35 2 2 8 8 4 4 9 9 13 13 14 14 5 5 15 15 16 16 20 20 16 16 19 19 2 2 22 22 2 2 21 21 1 1 17 17 17 17 38 38 18 18 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 13 13 18 18 25 25 25 25 25 25 29 29 29 29 29 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 8 15 21 22 23 24 23 24 23 24 46 47 48 46 47 48 46 47 48 9 32 33 9 32 33 9 32 33 12 34 35 12 34 35 12 34 35 2 15 2 15 2 15 8 32 33 8 32 33 8 32 33 11 36 37 11 36 37 11 36 37 4 15 4 15 4 15 9 36 37 9 36 37 9 36 37 14 16 14 16 13 16 13 16 5 17 5 17 19 20 19 20 1 23 1 23 24 38 24 38 26 39 26 39 27 40 27 40 25 41 25 41 25 42 25 42 28 43 28 43 28 44 28 44 3 24 3 24 3 23 3 23 27 45 27 45 26 45 26 -158.78 17.9342 81.0112 -102.2746 22.7025 -156.7451 154.8997 -24.5479 -91.2166 89.3358 -174.5673 -52.8804 66.2839 52.9134 174.6003 -66.2354 -60.7395 60.9473 -179.8883 47.2267 168.3327 -69.6505 -68.8166 52.2894 174.3062 168.3683 -70.5256 51.4912 -28.873 -151.0596 90.2826 86.8446 -35.3421 -153.9998 -150.9902 86.8232 -31.8345 -147.513 35.4346 100.6758 -76.3765 -22.6692 160.2785 -47.2511 -167.8809 69.5396 69.3321 -51.2977 -173.8772 -169.7436 69.6266 -52.9529 29.5122 -89.0783 152.6836 -86.3587 155.0509 36.8128 153.5609 34.9704 -83.2677 144.7072 -36.2665 -103.6986 75.3277 19.3876 -161.5861 -0.4303 116.8517 -122.8054 120.7477 -121.9703 -1.6274 -118.4714 -1.1894 119.1536 -174.2458 13.1775 2.2258 -170.351 177.2218 -9.4695 -1.8173 171.4914 68.8831 -113.111 -104.046 73.9599 -171.2744 5.4179 10.7458 -172.5619 -1.1266 176.421 -177.7472 -0.1995 -176.9579 1.9708 0.0885 179.0172 179.0179 -2.3071 2.306 -179.019 -178.4882 4.1951 -1.8075 -179.1242 177.8819 0.1056 0.1291 -177.6472 0.0903 178.071 -178.8037 -0.823 -1.1309 178.4228 -179.7986 -0.2449 0.1381 -178.8146 177.4322 -1.5205 -179.3758 0.0598 -1.5962 177.8394 179.2641 -0.167 1.2613 -178.1697 -0.5272 179.2158 179.9211 -0.3359 1.0277 -178.7149 179.9746 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0718705260 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2729,1.4037,1.3072;-3.8575,.232,-.326;4.5755,-1.7808,1.045;.6053,2.1999,-1.9265;-1.2414,-.9693,-2.0835;4.6091,-1.4057,2.4483;4.8306,-3.1466,.6215;-3.3135,2.7458,-1.0727;-1.2636,3.6802,-1.7049;-2.6738,3.471,-2.2501;-2.8856,3.6014,.1399;-1.5319,4.2114,-.2787;-2.6982,1.3738,-.9446;-.5644,2.3415,-1.6454;-1.3911,1.1908,-1.2283;-.7445,-.1433,-1.3574;.5579,-.4658,-.6841;-2.9332,-1.0926,.3952;1.0869,.1411,.454;1.2839,-1.5117,-1.2546;-2.2188,-.8716,1.5659;-2.9724,-2.3571,-.178;2.296,-.2685,.9936;2.4981,-1.9258,-.7457;2.998,-1.2862,.3758;-1.5004,-1.9099,2.1377;-2.2732,-3.3966,.4141;-1.5265,-3.1715,1.562;5.7101,-.7092,.1706;-4.3995,2.6639,-1.1531;-.6497,4.3622,-2.2932;-2.7079,2.8958,-3.1767;-3.1675,4.4291,-2.4291;-2.8217,3.0057,1.0508;-3.6284,4.3789,.3228;-1.5968,5.2996,-.3148;-.723,3.971,.4098;.8746,-2.0026,-2.1259;-2.2226,.1072,2.0237;-3.5261,-2.5182,-1.0925;2.6753,.1978,1.8928;3.0389,-2.7407,-1.2065;-.9264,-1.7334,3.0374;-2.2964,-4.3807,-.034;-.9651,-3.9807,2.0097;5.6336,-.8816,-.9003;5.489,.3295,.404;6.7131,-.9596,.5145; 0.000000 4.593550 0.000000 5.359291 8.777622 0.000000 3.346789 5.133292 6.359102 0.000000 4.406968 3.372812 6.654530 3.671360 0.000000 5.291324 9.058883 1.452951 6.940489 7.413310 0.000000 6.476803 9.370032 1.452585 7.275401 6.994873 2.533186 0.000000 4.508544 2.678217 9.338635 4.047639 4.372324 9.612504 10.194008 0.000000 4.076260 4.529892 8.454563 2.394421 4.664989 8.809384 9.442364 2.339784 0.000000 5.060680 3.948978 9.538888 3.531644 4.668594 9.944744 10.409389 1.523576 1.526272 0.000000 4.020975 3.537636 9.244152 4.291861 5.342129 9.304333 10.261969 1.544524 2.457656 2.402867 0.000000 3.695330 4.609449 8.657844 3.365798 5.493791 8.757900 9.768971 2.439790 1.545315 2.395486 1.542698 0.000000 3.728078 1.740816 8.174121 3.543927 2.984913 8.522585 8.920239 1.509077 2.820557 2.470443 2.484613 3.139376 0.000000 3.209086 4.127454 7.116831 1.211211 3.407613 7.587169 8.022739 2.837099 1.511541 2.468014 3.187919 2.510093 2.445587 0.000000 3.040202 2.795898 7.042591 2.343271 2.328091 7.500802 7.806737 2.477461 2.537795 2.808644 3.149045 3.169469 1.350047 1.476962 0.000000 3.244795 3.300843 6.062623 2.763402 1.206808 6.688720 6.634652 3.876555 3.874240 4.193111 4.566094 4.554932 2.507807 2.507925 1.488178 0.000000 2.746184 4.484581 4.567252 2.941343 2.334447 5.206517 5.210352 5.045096 4.642129 5.328634 5.392468 5.138847 3.748913 3.172432 2.615164 1.501240 0.000000 4.164395 1.768955 7.568048 5.362007 3.003492 7.823001 8.034106 4.127090 5.475180 5.281214 4.701220 5.527279 2.816638 4.644174 3.198120 2.960225 3.707489 0.000000 1.727600 5.006375 4.026603 3.183855 3.618434 4.333191 4.985326 5.336468 4.765554 5.704572 5.277525 4.895067 4.219253 3.460551 3.173653 2.591551 1.394053 4.205502 0.000000 4.010554 5.507940 4.024294 3.832457 2.712710 4.977933 4.332679 6.268603 5.800746 6.440612 6.743375 6.452511 4.927441 4.291354 3.802611 2.448997 1.395155 4.547665 2.385361 0.000000 3.384127 2.735489 6.874532 5.441121 3.779247 6.905333 7.467355 4.609378 5.685897 5.798868 4.741962 5.450862 3.402088 4.834617 3.570203 3.354032 3.596815 1.389164 3.631681 4.542419 0.000000 5.184707 2.740192 7.668010 6.051703 2.924602 8.079728 7.883551 5.191956 6.457592 6.192688 5.967603 6.725380 3.818711 5.479850 4.023886 3.354908 4.036900 1.388834 4.808146 4.471066 2.411540 0.000000 2.643390 6.313311 2.736007 4.180712 4.740617 2.959744 3.853144 6.694893 5.961961 7.014536 6.523298 6.028329 5.603181 4.685927 4.545432 3.845500 2.423753 5.327422 1.386000 2.761223 4.590661 5.787145 0.000000 4.500177 6.725073 2.746482 4.690207 4.085205 3.863771 2.966572 7.463585 6.818928 7.624736 7.766477 7.356890 6.158624 5.328933 5.007178 3.750471 2.428935 5.612015 2.775443 1.380106 5.357582 5.516825 2.410973 0.000000 3.940729 7.056633 1.783490 4.814406 4.911391 2.627788 2.623010 7.628233 6.867026 7.854629 7.652502 7.153446 6.423854 5.471356 5.288935 4.279821 2.783977 5.934365 2.386606 2.376384 5.366817 6.090942 1.382118 1.384487 0.000000 3.848896 4.026622 6.174692 6.151551 4.332507 6.138133 6.626515 5.938792 6.787532 7.041526 6.023624 6.581057 4.660230 5.767341 4.577828 3.988507 3.779533 2.399415 3.706151 4.406708 1.385980 2.780160 4.291354 4.929801 4.871251 0.000000 5.506623 4.027936 7.064931 6.714475 3.632366 7.447678 7.111282 6.404800 7.455884 7.377102 7.030073 7.675364 4.978270 6.331429 4.951761 4.007338 4.220299 2.396670 4.879257 4.357828 2.775766 1.385615 5.567628 5.125841 5.678121 2.403860 0.000000 4.922941 4.536776 6.279755 6.750260 4.268595 6.445858 6.426384 6.719358 7.595263 7.744112 7.052806 7.608957 5.321274 6.450312 5.180197 4.278396 4.087903 2.768039 4.362469 4.311267 2.401807 2.404484 4.833439 4.803678 5.043092 1.387053 1.387809 0.000000 5.943071 9.626668 1.788949 6.238613 7.312519 2.624037 2.630154 9.742088 8.450913 9.675932 9.616058 8.767041 8.733992 7.209280 7.482915 6.657142 5.228278 8.654698 4.709355 4.718709 8.052345 8.844400 3.539488 3.554773 2.780381 7.569866 8.427024 7.769658 0.000000 5.428859 2.625311 10.253673 5.085399 4.903039 10.520840 11.050254 1.092096 3.342310 2.198371 2.200618 3.373826 2.145321 3.880063 3.350606 4.613198 5.881449 4.319635 6.248809 7.053215 4.964769 5.310212 7.618227 8.295117 8.524356 6.336728 6.611140 7.048323 10.739432 0.000000 4.750410 5.587355 8.728229 2.526832 5.368338 9.132684 9.742271 3.346333 1.090002 2.212008 3.390845 2.204306 3.865938 2.123702 3.426517 4.602634 5.230359 6.495877 5.327254 6.270546 6.689327 7.417397 6.397115 7.200104 7.234175 7.726262 8.376356 8.508114 8.499214 4.271415 0.000000 5.587186 4.067407 9.630233 3.608957 4.276090 10.182499 10.381125 2.194504 2.206233 1.091143 3.395441 3.392934 2.701650 2.692026 2.904689 4.049822 5.308399 5.358778 5.930459 6.249435 6.076574 6.054361 7.241780 7.500683 7.916261 7.266053 7.257874 7.788688 9.750091 2.647650 2.677144 0.000000 5.911773 4.745034 10.515975 4.410852 5.742165 10.877053 11.431027 2.166746 2.170240 1.092624 2.713739 2.710478 3.429155 3.427636 3.883834 5.284567 6.394045 6.206565 6.693155 7.515833 6.705087 7.152531 7.976963 8.678562 8.862595 7.988616 8.374084 8.740250 10.581718 2.502417 2.522319 1.766662 0.000000 3.494022 3.265260 8.810656 4.610558 5.302967 8.753854 9.828165 2.195133 3.236697 3.336771 1.090291 2.210236 2.580608 3.578567 3.245703 4.475516 5.146108 4.151896 4.882438 6.525118 3.957551 5.503778 6.075659 7.473059 7.262519 5.204747 6.457144 6.332162 9.347016 2.731942 4.211869 4.230415 3.775654 0.000000 5.004098 4.203671 10.284326 5.266081 6.331833 10.287709 11.326035 2.171140 3.192484 2.890581 1.090794 2.187572 3.391509 4.172972 4.192360 5.620597 6.481566 5.516049 6.341126 7.830638 5.576820 6.786405 7.559560 8.855822 8.718138 6.882678 7.893262 7.934931 10.635832 2.390441 3.964413 3.910679 2.790723 1.751194 0.000000 4.615678 5.549013 9.490926 4.129708 6.523308 9.545143 10.654917 3.169069 2.159971 2.872037 2.179787 1.090685 4.125668 3.403920 4.214088 5.607014 6.165917 6.568887 5.865366 7.454862 6.481341 7.780458 6.918749 8.316221 8.059872 7.615791 8.752818 8.676806 9.472731 3.937561 2.385278 3.899054 2.773923 2.937233 2.319825 0.000000 2.896206 4.934289 7.846029 3.218607 5.558096 7.841946 9.030413 3.226390 2.202004 3.336255 2.210480 1.089120 3.532873 2.627648 3.295335 4.477887 4.745788 5.524989 4.236189 6.071071 5.198549 6.741675 5.237195 6.817822 6.440886 6.178551 7.528904 7.279339 7.959071 4.203335 2.732159 4.237806 3.774236 2.397332 2.935206 1.747516 0.000000 4.873474 5.534100 4.878515 4.215790 2.355256 5.935136 4.950459 6.418448 6.086335 6.524307 7.118811 6.914968 5.055763 4.601331 4.017062 2.582428 2.130890 4.656504 3.360979 1.080551 4.947435 4.326660 3.841685 2.132230 3.358624 4.881378 4.278283 4.553305 5.507106 7.109112 6.546869 6.158997 7.602462 6.988291 8.185188 7.918905 6.683242 0.000000 2.902056 2.865300 7.122953 5.289665 4.357893 7.010125 7.893182 4.211906 5.252498 5.457480 4.024658 4.756388 3.262102 4.604848 3.527279 3.698646 3.923300 2.143999 3.663064 5.066001 1.080641 3.388569 4.649754 5.838538 5.649098 2.145484 3.856162 3.383454 8.187146 4.622571 6.262178 5.920831 6.276925 3.115530 4.808029 5.728999 4.447767 5.591385 0.000000 5.964225 2.874144 8.411197 6.326420 2.932676 8.941857 8.553838 5.268303 6.626741 6.159254 6.275221 7.065881 3.981818 5.717849 4.281759 3.667039 4.588938 2.144053 5.544641 4.916880 3.389297 1.081181 6.581024 6.063217 6.799845 3.861103 2.147374 3.387031 9.496076 5.255556 7.553437 5.858694 7.083801 5.966797 7.041585 8.089748 7.226608 4.549749 4.278174 0.000000 2.751212 6.899509 2.871208 4.783394 5.702170 2.572784 4.176896 7.152122 6.370757 7.516033 6.751402 6.206908 6.189423 5.254553 5.221444 4.730342 3.400646 5.946728 2.144013 3.842471 5.020238 6.535500 1.081602 3.391567 2.146514 4.683907 6.292397 5.396019 3.605358 8.087865 6.776500 7.871410 8.409642 6.229811 7.725577 7.010963 5.290116 4.922798 4.900571 7.399099 0.000000 5.580843 7.561301 2.889955 5.554323 4.714708 4.195892 2.591671 8.394791 7.745230 8.503479 8.782641 8.371666 7.064878 6.245381 5.923019 4.591682 3.406390 6.399001 3.856527 2.143078 6.230775 6.110746 3.391816 1.081157 2.149662 5.699094 5.592424 5.356618 3.627472 9.194754 8.076983 8.287240 9.561413 8.512492 9.873273 9.323682 7.862029 2.464583 6.799187 6.569775 4.286330 0.000000 3.777997 4.875159 5.851653 6.515879 5.187180 5.576354 6.401310 6.531041 7.204873 7.622103 6.379204 6.834056 5.352589 6.218073 5.192632 4.677175 4.202330 3.379233 3.773731 4.832790 2.139694 3.861842 4.087370 5.106488 4.762850 1.081685 3.385540 2.145931 7.301403 6.997128 8.102332 7.950997 8.537105 5.476996 7.213235 7.819836 6.283769 5.474984 2.468932 4.942750 4.244035 5.894807 0.000000 6.469884 4.878462 7.426048 7.436734 4.117131 7.918225 7.262725 7.273271 8.296793 8.167157 8.005723 8.629546 5.839957 7.126306 5.769568 4.702657 4.888382 3.376557 5.668476 4.747604 3.857369 2.138405 6.249510 5.433290 6.146108 3.384566 1.081605 2.145294 8.810539 7.436578 9.178962 7.936839 9.171077 7.484057 8.867536 9.709587 8.510207 4.481827 4.937733 2.470158 7.028038 5.703477 4.280049 0.000000 5.569367 5.618574 6.038892 7.493942 5.089127 6.155865 6.017775 7.762842 8.519198 8.751730 8.041922 8.524601 6.356260 7.313710 6.116442 5.109958 4.683045 3.849781 4.860085 4.670123 3.381533 3.383969 5.044580 4.879483 5.063240 2.142724 2.144375 1.081814 7.657913 8.120941 9.392434 8.787626 9.761081 7.292136 8.934323 9.587795 8.114654 4.939722 4.276953 4.280366 5.543117 5.283362 2.471412 2.471679 0.000000 6.231602 9.573480 2.390059 5.986054 6.976673 3.540837 2.844456 9.655971 8.308392 9.475205 9.682745 8.812995 8.631788 7.025527 7.331330 6.436958 5.097258 8.666718 4.853124 4.409318 8.230510 8.761406 3.886176 3.308359 2.956072 7.821809 8.400607 7.910341 1.087331 10.644166 8.301635 9.435682 10.392301 9.508362 10.721662 9.530391 8.103722 5.040458 8.440845 9.306732 4.209230 3.206615 7.698299 8.710828 7.849544 0.000000 5.401680 9.375567 2.387214 5.725471 7.292074 2.822159 3.544599 9.246816 7.827743 9.140294 8.994970 8.051624 8.363037 6.700144 7.123369 6.494899 5.111991 8.541437 4.406499 4.880975 7.886875 8.896787 3.301638 3.918369 2.969248 7.541409 8.610246 7.925646 1.087344 10.279014 7.824427 9.305804 9.988437 8.754899 9.976607 8.684921 7.200700 5.755999 7.883078 9.571922 3.186028 4.245351 7.235171 9.109922 7.925410 1.785725 0.000000 6.905809 10.670747 2.350594 7.297017 8.368065 2.892346 2.887578 10.806543 9.491148 10.741811 10.633803 9.764635 9.805425 8.277902 8.563832 7.732175 6.290203 9.647917 5.733229 5.736747 8.993950 9.810283 4.496456 4.504163 3.731987 8.426123 9.311426 8.595393 1.089458 11.806836 9.508691 10.827970 11.633093 10.340352 11.639748 10.436464 8.922858 6.492051 9.124870 10.481066 4.420720 4.430989 8.082403 9.652740 8.385560 1.781273 1.781093 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1069,-.9962,1.6621;3.4836,1.6645,.0437;-5.0204,-.506,.1812;.8377,-2.5522,-1.2094;1.0253,.9879,-2.1642;-5.1632,-.524,1.627;-5.7783,.4207,-.6415;4.3095,-.8832,.0335;3.0872,-2.8226,-.4349;4.3245,-2.0718,-.9196;4.0827,-1.5424,1.4118;3.2725,-2.8175,1.0992;3.1248,-.006,-.2898;1.8589,-2.0302,-.8197;1.9662,-.5617,-.7037;.8239,.2107,-1.2633;-.5885,-.0116,-.8054;1.9323,2.4816,.2785;-1.001,-.5285,.4218;-1.5787,.3807,-1.7065;1.1765,2.2046,1.4106;1.5062,3.4352,-.6369;-2.3451,-.6614,.733;-2.9229,.2422,-1.4263;-3.2921,-.2914,-.2033;-.0354,2.8496,1.6014;.3063,4.0952,-.426;-.4711,3.7937,.6834;-5.3379,-2.1624,-.4152;5.2297,-.2957,.0072;2.9854,-3.8304,-.8374;4.2799,-1.7788,-1.9697;5.2254,-2.6727,-.7748;3.5709,-.8699,2.1007;5.0438,-1.7876,1.8656;3.8322,-3.7077,1.3891;2.3223,-2.8614,1.6296;-1.271,.8006,-2.6534;1.5332,1.4865,2.1351;2.0981,3.6397,-1.5182;-2.6437,-1.0396,1.7013;-3.6696,.5566,-2.1422;-.6349,2.6187,2.4716;-.0314,4.8333,-1.1409;-1.4173,4.2961,.8339;-5.1329,-2.2191,-1.4815;-4.7201,-2.8736,.1279;-6.391,-2.3709,-.2297; 0.2442919 0.1041105 0.0860844 -101.57293 -89.05772 -88.88222 -19.13058 -19.12152 -19.12139 -19.11377 -10.28439 -10.26599 -10.26488 -10.24476 -10.22925 -10.22010 -10.21901 -10.21588 -10.21469 -10.20804 -10.20740 -10.20506 -10.19567 -10.19533 -10.19409 -10.19185 -10.19159 -10.19095 -10.19036 -10.18930 -10.18892 -10.18670 -9.48912 -8.12263 -7.96898 -7.25353 -7.24389 -7.24337 -6.08510 -6.08433 -6.08382 -5.93272 -5.92825 -5.92365 -1.12661 -1.07476 -1.05457 -1.02066 -0.92935 -0.90763 -0.88823 -0.87519 -0.83916 -0.81621 -0.79542 -0.78234 -0.77114 -0.77005 -0.76719 -0.73924 -0.72822 -0.69669 -0.65632 -0.64109 -0.63190 -0.62888 -0.61436 -0.60253 -0.58955 -0.57735 -0.55544 -0.54203 -0.53379 -0.52054 -0.51549 -0.49866 -0.49369 -0.48989 -0.48095 -0.48002 -0.47704 -0.47435 -0.46753 -0.46120 -0.46039 -0.45390 -0.44963 -0.44464 -0.44256 -0.43943 -0.43725 -0.42079 -0.41251 -0.40358 -0.39683 -0.39108 -0.38808 -0.38421 -0.37583 -0.37176 -0.36911 -0.36590 -0.35981 -0.35608 -0.35233 -0.34815 -0.34510 -0.33798 -0.33356 -0.31877 -0.31653 -0.30706 -0.29759 -0.28175 -0.27867 -0.27735 -0.27224 -0.25386 -0.24405 -0.09499 -0.07031 -0.04605 -0.04375 -0.03195 -0.01487 -0.01152 -0.00707 -0.00611 0.00313 0.01286 0.01775 0.01889 0.02022 0.02319 0.02715 0.03056 0.03499 0.03785 0.04127 0.04240 0.04473 0.04877 0.05180 0.05367 0.05661 0.05722 0.06210 0.06398 0.06687 0.06854 0.07021 0.07559 0.08087 0.08429 0.08667 0.08907 0.09162 0.09290 0.09520 0.09737 0.10148 0.10446 0.10563 0.10693 0.11245 0.11565 0.11840 0.12021 0.12125 0.12407 0.12575 0.12919 0.13065 0.13300 0.13621 0.13847 0.14230 0.14350 0.14616 0.14681 0.15002 0.15200 0.15606 0.15741 0.16038 0.16489 0.16619 0.16675 0.16975 0.17075 0.17371 0.17767 0.17912 0.18130 0.18439 0.18556 0.18743 0.18850 0.19219 0.19369 0.19516 0.19739 0.19908 0.20320 0.20366 0.20775 0.20834 0.21000 0.21355 0.21585 0.21732 0.21999 0.22161 0.22450 0.22715 0.22932 0.23253 0.23491 0.23798 0.23984 0.24017 0.24226 0.24432 0.24798 0.24874 0.25294 0.25559 0.25601 0.25897 0.26136 0.26216 0.26844 0.26897 0.27189 0.27446 0.27649 0.27942 0.28231 0.28536 0.28921 0.29027 0.29336 0.29409 0.29779 0.30085 0.30198 0.30276 0.30660 0.30901 0.31342 0.31897 0.31985 0.32212 0.32580 0.32894 0.33344 0.33556 0.33756 0.34279 0.34480 0.34781 0.34966 0.35349 0.35703 0.36086 0.36116 0.36498 0.36972 0.37202 0.37446 0.38051 0.38331 0.38660 0.38819 0.39013 0.39733 0.40042 0.40067 0.40464 0.40798 0.41337 0.42083 0.42750 0.42930 0.43806 0.44063 0.44557 0.45239 0.46193 0.46943 0.47872 0.48609 0.49197 0.49342 0.49482 0.50135 0.50665 0.51329 0.51969 0.52060 0.52249 0.52917 0.53296 0.53545 0.54340 0.54927 0.55594 0.56184 0.56344 0.56822 0.57021 0.57615 0.58483 0.58970 0.60410 0.60748 0.61202 0.61356 0.62066 0.62444 0.63108 0.63486 0.64073 0.64298 0.64548 0.64857 0.65135 0.65496 0.65867 0.66221 0.66749 0.67137 0.67276 0.67451 0.67686 0.67845 0.68403 0.68829 0.69035 0.69533 0.69980 0.70189 0.70514 0.70942 0.71036 0.71364 0.71598 0.71851 0.72773 0.72830 0.73230 0.73469 0.73870 0.74302 0.74574 0.75160 0.75619 0.75957 0.76348 0.77110 0.77551 0.77927 0.78136 0.78709 0.79381 0.79891 0.80490 0.80945 0.81510 0.82063 0.82690 0.83325 0.83915 0.84072 0.84600 0.85046 0.85934 0.86312 0.86368 0.87582 0.88111 0.88314 0.88817 0.89204 0.90411 0.91004 0.91634 0.92076 0.92844 0.93409 0.93972 0.94500 0.94847 0.96379 0.96636 0.97337 0.98411 0.98741 0.99741 0.99935 1.00558 1.01324 1.01455 1.02296 1.02814 1.03276 1.03837 1.04426 1.06198 1.07382 1.07591 1.07834 1.07992 1.08536 1.09678 1.10408 1.10963 1.11541 1.11777 1.13361 1.14232 1.15127 1.15943 1.16458 1.16971 1.17267 1.17890 1.18675 1.18924 1.19560 1.20303 1.20560 1.21249 1.22087 1.22890 1.23904 1.24617 1.24829 1.26507 1.26828 1.28309 1.28934 1.29070 1.29505 1.30725 1.31425 1.32562 1.32848 1.33587 1.33757 1.35033 1.36306 1.37191 1.38175 1.39304 1.40981 1.41695 1.42249 1.43996 1.45469 1.46380 1.48024 1.49042 1.50819 1.51225 1.51725 1.52369 1.52725 1.52864 1.53457 1.54274 1.54658 1.55021 1.55610 1.57198 1.57397 1.58055 1.58098 1.58956 1.60380 1.60783 1.61328 1.61944 1.62361 1.62817 1.63439 1.64648 1.65199 1.65937 1.66279 1.66950 1.67243 1.67889 1.68476 1.69338 1.69464 1.69850 1.70160 1.70930 1.72111 1.72559 1.73435 1.74394 1.75148 1.75206 1.75977 1.76503 1.76814 1.77170 1.78621 1.79945 1.80279 1.80843 1.81511 1.83075 1.83789 1.84399 1.85444 1.85461 1.86240 1.86785 1.88259 1.89028 1.89171 1.89683 1.90429 1.91912 1.92393 1.92752 1.92899 1.93769 1.93868 1.94873 1.95787 1.95898 1.97149 1.97618 1.98565 1.98773 1.99515 2.00494 2.01170 2.01346 2.02518 2.02729 2.03171 2.03406 2.04455 2.04974 2.06785 2.08026 2.08228 2.08819 2.09618 2.10069 2.11118 2.12001 2.13934 2.14730 2.15774 2.17773 2.18689 2.20382 2.21346 2.21875 2.22285 2.24216 2.25305 2.25671 2.27545 2.28773 2.30034 2.30600 2.32567 2.33461 2.33703 2.34768 2.36332 2.36676 2.39107 2.40036 2.41582 2.42146 2.42546 2.43439 2.44292 2.45833 2.46503 2.49104 2.50149 2.50582 2.50826 2.52209 2.52384 2.53570 2.55271 2.55858 2.57200 2.57693 2.60322 2.61623 2.62375 2.63109 2.63584 2.64193 2.66125 2.67973 2.69664 2.70460 2.71604 2.73361 2.73601 2.73994 2.74701 2.75501 2.76297 2.76805 2.77505 2.78350 2.79104 2.79707 2.80267 2.81243 2.81369 2.81573 2.82604 2.82788 2.83628 2.83805 2.84815 2.85005 2.85239 2.86020 2.86654 2.87292 2.88607 2.89140 2.89466 2.90060 2.90671 2.91059 2.91953 2.92723 2.93605 2.94900 2.95160 2.95386 2.96717 2.97519 2.98379 2.98523 3.00202 3.00886 3.01632 3.03173 3.03648 3.04587 3.07919 3.08664 3.09552 3.10593 3.12270 3.12781 3.16262 3.17421 3.19428 3.20491 3.22122 3.23408 3.25939 3.26671 3.29401 3.30069 3.32703 3.34153 3.37005 3.37472 3.38695 3.40364 3.40968 3.43395 3.44283 3.47872 3.52949 3.53156 3.54302 3.56155 3.57331 3.59515 3.60192 3.60783 3.63754 3.65610 3.65948 3.72527 3.73744 3.74080 3.76389 3.78894 3.82307 3.85989 3.90044 3.94551 3.98285 4.02298 4.04247 4.08669 4.09501 4.12113 4.13931 4.14603 4.14961 4.15794 4.21426 4.27992 4.30488 4.33251 4.41649 4.47486 4.83449 4.84280 5.03196 5.04642 5.10157 5.11216 5.14668 5.18169 5.18827 5.28489 5.28729 5.31838 5.80488 5.81726 8.08175 8.17921 9.95563 17.34776 17.41024 17.42714 17.56077 17.58139 17.61357 23.53673 23.61061 23.66921 23.83840 23.85200 23.88756 23.91774 23.92933 23.94957 23.95200 23.96745 23.97952 23.99339 24.00442 24.04238 24.05581 24.08533 24.09354 24.10897 24.17851 24.18636 24.20841 26.18885 26.59476 26.95875 49.88899 49.92938 50.02192 50.07321 189.27395 189.29887 215.98045 1-A. 4.3791 -1.8082 0.2775 4.7459 -196.1459 -182.0381 -194.2978 3.8755 12.0933 -2.6770 -5.3186 8.7892 -3.4705 3.8755 12.0933 -2.6770 178.2915 2.5169 0.5555 -36.0820 -149.4228 -48.5384 -1.2424 -0.8493 -2.9366 -17.6118 -11806.3682 -4249.5779 -1551.0794 384.1081 192.0361 -49.0131 -139.3152 64.3234 -11.6275 -2338.5000 -2234.6413 -986.3988 61.7912 -27.2307 -32.0418 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; 0.000000 4.423434 0.000000 5.394268 8.302802 0.000000 3.478610 5.170000 6.976258 0.000000 4.520695 3.627681 6.694360 3.514070 0.000000 5.291496 8.486931 1.467305 7.495874 7.464797 0.000000 6.509581 8.818308 1.466969 7.883687 7.021112 2.556935 0.000000 4.367344 2.714929 9.291449 4.071724 4.453313 9.446064 10.100107 0.000000 4.100291 4.577099 8.847385 2.408201 4.587691 9.113291 9.806373 2.356279 0.000000 5.020038 3.989813 9.792718 3.576463 4.642456 10.082228 10.626211 1.536370 1.536749 0.000000 3.839497 3.596696 9.153171 4.287803 5.434213 9.095803 10.133183 1.559373 2.474020 2.421501 0.000000 3.645397 4.678629 8.864270 3.356843 5.507422 8.875809 9.946850 2.462589 1.558259 2.412070 1.554446 0.000000 3.610428 1.765267 8.041915 3.564453 3.102288 8.299948 8.742405 1.519443 2.841080 2.486944 2.512828 3.178563 0.000000 3.278503 4.159139 7.506239 1.221504 3.299351 7.908409 8.389808 2.850936 1.521472 2.490818 3.196384 2.523715 2.456428 0.000000 3.048121 2.820163 7.128107 2.357244 2.331569 7.526863 7.861986 2.487932 2.551270 2.820112 3.174571 3.206740 1.354870 1.480438 0.000000 3.313939 3.339236 6.104656 2.765041 1.215289 6.713593 6.658456 3.908210 3.891612 4.222081 4.602801 4.594462 2.534038 2.510225 1.501559 0.000000 2.793765 4.296354 4.602040 3.199657 2.356632 5.228202 5.237469 5.025495 4.785009 5.426438 5.357842 5.213759 3.681347 3.335036 2.646661 1.511287 0.000000 4.053623 1.798692 6.856587 5.389282 3.289669 7.073834 7.230702 4.191336 5.541592 5.341626 4.798369 5.631717 2.862395 4.682377 3.234506 2.981525 3.402308 0.000000 1.756685 4.730292 4.055989 3.502518 3.669666 4.345211 5.010534 5.254117 4.924252 5.779717 5.171110 4.957117 4.095298 3.650310 3.194734 2.616472 1.404748 3.837660 0.000000 4.061758 5.274454 4.052758 4.192543 2.707118 5.004207 4.357790 6.285024 6.024450 6.615431 6.734778 6.579054 4.876754 4.522952 3.862373 2.458989 1.404671 4.116101 2.400893 0.000000 3.433609 2.765952 6.104669 5.660718 4.179678 6.078706 6.604771 4.764362 5.921919 5.989133 4.935378 5.706197 3.558939 5.061115 3.784021 3.554050 3.434746 1.397573 3.358118 4.204277 0.000000 5.039649 2.778667 6.837145 5.910632 3.033454 7.276834 6.939435 5.189243 6.389183 6.143839 6.007483 6.728920 3.777168 5.363161 3.915465 3.197526 3.590048 1.397264 4.369416 3.835553 2.424442 0.000000 2.662642 5.935907 2.756634 4.629967 4.786322 2.970292 3.875218 6.607172 6.209139 7.146247 6.400893 6.138113 5.459851 4.955505 4.584982 3.872018 2.437476 4.799743 1.392866 2.774153 4.070807 5.188946 0.000000 4.546752 6.381919 2.771541 5.176212 4.087861 3.894300 2.993042 7.459098 7.119553 7.841150 7.730108 7.520258 6.072721 5.634439 5.076931 3.767569 2.444332 5.029612 2.794470 1.384957 4.803804 4.746122 2.425531 0.000000 3.968436 6.644772 1.806921 5.338412 4.932327 2.651307 2.648302 7.574141 7.176151 8.048883 7.562950 7.307828 6.293140 5.791084 5.346042 4.298825 2.795231 5.303598 2.396241 2.382221 4.724144 5.334523 1.386808 1.390990 0.000000 3.975942 4.065873 5.176711 6.357430 4.710104 5.136301 5.513983 6.084876 7.010659 7.220245 6.211227 6.829383 4.799673 5.977685 4.769830 4.169995 3.602179 2.413301 3.440527 3.973255 1.392873 2.794376 3.689045 4.202558 4.051840 0.000000 5.423332 4.072237 6.026760 6.586895 3.740403 6.510839 5.915465 6.422824 7.412354 7.351265 7.091228 7.704612 4.964586 6.239865 4.878534 3.877654 3.757297 2.410030 4.436069 3.590947 2.789644 1.392106 4.897700 4.145100 4.754367 2.415547 0.000000 4.957680 4.582509 5.125465 6.784647 4.518847 5.389690 5.102939 6.803272 7.683837 7.822242 7.177625 7.745841 5.386116 6.507534 5.240395 4.308211 3.754737 2.784172 3.999492 3.654799 2.413968 2.417032 4.155652 3.830155 4.063517 1.393689 1.395092 0.000000 6.054051 9.393786 1.808110 7.020151 7.379168 2.654416 2.654612 9.972499 9.103924 10.229197 9.780885 9.211002 8.829754 7.794760 7.741374 6.784030 5.327393 8.129056 4.803652 4.788245 7.479023 8.141097 3.607934 3.602179 2.835018 6.734619 7.468278 6.723010 0.000000 5.252562 2.656800 10.096489 5.115757 5.026293 10.226277 10.834702 1.091938 3.358669 2.210162 2.212937 3.393181 2.152772 3.895962 3.359987 4.648982 5.827916 4.380207 6.113705 7.024896 5.069272 5.342235 7.451271 8.220282 8.383652 6.441024 6.656707 7.126527 10.885285 0.000000 4.822152 5.629990 9.309686 2.530082 5.219850 9.630168 10.298960 3.368015 1.089964 2.227853 3.414938 2.219044 3.881510 2.122761 3.427612 4.599572 5.418330 6.549894 5.562967 6.566040 6.925734 7.318869 6.769571 7.620706 7.688201 7.950344 8.298797 8.579301 9.364790 4.295866 0.000000 5.573201 4.094446 9.946323 3.671674 4.209554 10.380107 10.663731 2.204385 2.212796 1.091971 3.413693 3.409345 2.708311 2.715425 2.904685 4.071388 5.431480 5.395108 6.035362 6.465204 6.243668 5.967901 7.415479 7.769280 8.162313 7.420333 7.193617 7.836791 10.371140 2.660871 2.685412 0.000000 5.854534 4.787488 10.790611 4.454686 5.718655 11.022284 11.667396 2.177855 2.179648 1.094159 2.726363 2.716302 3.446237 3.450314 3.896619 5.314802 6.493256 6.271976 6.766760 7.699759 6.887460 7.121836 8.112887 8.910077 9.069811 8.163300 8.363498 8.824101 11.187482 2.514777 2.547787 1.775802 0.000000 3.231698 3.324777 8.516939 4.578505 5.433396 8.344874 9.501048 2.204772 3.244011 3.351014 1.091050 2.219405 2.601686 3.569262 3.262038 4.501409 5.028906 4.255436 4.662253 6.407683 4.142409 5.570569 5.796985 7.288162 7.003358 5.385307 6.544483 6.466510 9.276288 2.745314 4.223959 4.242938 3.787607 0.000000 4.809456 4.257235 10.163695 5.269194 6.430039 10.031536 11.160993 2.182313 3.212934 2.908673 1.092375 2.198800 3.415558 4.186328 4.216537 5.657957 6.441965 5.612143 6.222871 7.816160 5.743647 6.846139 7.415764 8.806568 8.608059 7.051809 7.972712 8.061925 10.799761 2.398712 3.999556 3.929451 2.804860 1.759953 0.000000 4.586802 5.615302 9.781386 4.128153 6.517617 9.743460 10.914829 3.186028 2.171104 2.878354 2.192575 1.092368 4.160269 3.420788 4.248346 5.645201 6.264105 6.675135 5.962338 7.616152 6.736124 7.788066 7.083441 8.533779 8.278177 7.870042 8.787232 8.821010 10.028588 3.950134 2.407939 3.905585 2.767718 2.954965 2.333907 0.000000 2.882114 5.008104 8.050455 3.181215 5.574357 7.986341 9.213312 3.249071 2.209209 3.352203 2.221139 1.090247 3.574632 2.632257 3.337293 4.516620 4.816507 5.638372 4.311782 6.179986 5.481919 6.749928 5.360340 6.966109 6.593892 6.459128 7.565136 7.433813 8.344310 4.223997 2.734645 4.253017 3.780399 2.406232 2.946914 1.757405 0.000000 4.918611 5.362736 4.917683 4.488533 2.300879 5.970652 4.989026 6.457410 6.272146 6.690591 7.133243 7.025600 5.031324 4.780755 4.062660 2.568253 2.128580 4.298517 3.370689 1.082008 4.694620 3.728129 3.855812 2.146716 3.372325 4.542094 3.546945 3.983261 5.585108 7.120007 6.783072 6.365596 7.780654 6.913121 8.198969 8.057342 6.768957 0.000000 3.025168 2.887045 6.472539 5.640052 4.793863 6.253756 7.157879 4.431315 5.612715 5.739832 4.294998 5.129958 3.488119 4.960293 3.847044 3.983600 3.884650 2.151772 3.496234 4.871535 1.082172 3.402728 4.233308 5.439173 5.141996 2.153315 3.871799 3.397096 7.762971 4.754027 6.632955 6.176560 6.543578 3.370640 5.026607 6.096676 4.865782 5.468075 0.000000 5.750175 2.908537 7.643687 6.051213 2.858507 8.199041 7.683231 5.198230 6.437599 6.007375 6.253304 6.973145 3.860122 5.470824 4.052191 3.380459 4.101439 2.150952 5.085081 4.274082 3.402510 1.082342 6.002883 5.327094 6.089191 3.876323 2.155010 3.400850 8.843796 5.252198 7.321543 5.656790 6.960699 5.986458 7.053575 7.999408 7.134984 3.908173 4.292450 0.000000 2.763039 6.494723 2.877610 5.229008 5.759852 2.566418 4.186856 7.036292 6.620196 7.632786 6.596614 6.312527 6.028770 5.523198 5.257769 4.763102 3.417610 5.423469 2.154292 3.855727 4.485810 5.971438 1.082043 3.402766 2.147320 4.086244 5.677883 4.764935 3.660312 7.881411 7.166559 8.029757 8.528962 5.907003 7.541301 7.178738 5.422214 4.937227 4.433804 6.851870 0.000000 5.627807 7.207774 2.900932 6.067178 4.715155 4.218944 2.608691 8.410849 8.080857 8.758162 8.761913 8.558821 6.991617 6.574930 6.005994 4.614419 3.427666 5.784418 3.876720 2.156971 5.628023 5.284487 3.402595 1.082603 2.151395 4.889626 4.499707 4.260314 3.645918 9.136853 8.545348 8.602551 9.837319 8.333162 9.839578 9.571281 8.026143 2.497653 6.350992 5.784173 4.290534 0.000000 4.030304 4.913622 4.817944 6.831206 5.601892 4.498251 5.261060 6.716262 7.517465 7.864997 6.611118 7.163023 5.532505 6.524690 5.457566 4.932057 4.143014 3.394804 3.630068 4.512058 2.147683 3.878055 3.549228 4.464138 3.987521 1.083696 3.398802 2.153057 6.431641 7.119450 8.430039 8.170041 8.772562 5.690789 7.416342 8.158922 6.660888 5.234262 2.478278 4.959917 3.673657 5.148228 0.000000 6.358417 4.923928 6.334306 7.206828 4.099383 6.977144 5.984391 7.254905 8.174073 8.078342 8.033144 8.598362 5.785941 6.947236 5.625767 4.487387 4.380056 3.391286 5.206825 3.899057 3.873417 2.145313 5.571131 4.365500 5.184883 3.398325 1.083780 2.153864 7.737240 7.464822 9.007356 7.801523 9.102243 7.548735 8.922902 9.681928 8.482263 3.615251 4.955568 2.478550 6.412184 4.469121 4.295402 0.000000 5.640190 5.666295 4.712348 7.523881 5.312545 4.991413 4.455440 7.847385 8.607258 8.829507 8.168241 8.663084 6.421285 7.369498 6.176335 5.136817 4.373417 3.867855 4.531651 3.999704 3.395251 3.398278 4.365665 3.815419 4.001808 2.150292 2.153012 1.083847 6.403148 8.200455 9.461836 8.834421 9.844978 7.428127 9.064413 9.735547 8.271950 4.345893 4.292160 4.296220 4.912133 4.025869 2.479145 2.482020 0.000000 6.364494 9.424158 2.389623 6.814364 7.033975 3.559430 2.839313 9.985689 9.038258 10.130172 9.940565 9.328541 8.805668 7.668069 7.642053 6.581083 5.207007 8.188407 4.957397 4.478998 7.712754 8.065718 3.954293 3.342894 2.998749 7.017888 7.411148 6.847788 1.089009 10.903126 9.243263 10.164148 11.110839 9.525941 10.991484 10.161464 8.536038 5.119679 8.094062 8.659456 4.264490 3.203002 6.873193 7.569642 6.554065 0.000000 5.511146 9.207164 2.389610 6.498837 7.349210 2.838691 3.559494 9.523821 8.511717 9.730479 9.206126 8.532957 8.498546 7.298727 7.400508 6.620629 5.200585 8.091181 4.493110 4.932512 7.401395 8.272663 3.356945 3.943623 3.000647 6.812661 7.754986 7.000801 1.089019 10.480734 8.720452 9.955228 10.636513 8.729103 10.195031 9.284298 7.614979 5.813623 7.547379 8.986775 3.235739 4.243984 6.479891 8.146801 6.820754 1.802876 0.000000 6.997157 10.377563 2.353361 8.090497 8.429633 2.899121 2.899044 11.010246 10.154527 11.294624 10.769939 10.206320 9.870033 8.866401 8.807361 7.848303 6.377925 9.055663 5.811752 5.799981 8.336962 9.047286 4.547877 4.546483 3.773933 7.496310 8.283761 7.461363 1.090326 11.914900 10.406662 11.454120 12.244207 10.226358 11.771442 11.001919 9.307186 6.568526 8.609848 9.778387 4.456783 4.450099 7.096975 8.510550 7.024329 1.794943 1.795100 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3712,-1.3261,1.4737;2.948,2.1121,.4224;-4.85,-.7338,.2546;1.6577,-2.4937,-1.54;1.0763,.8581,-2.4209;-4.8945,-.8631,1.7156;-5.6364,.2894,-.443;4.4237,-.165,.3323;3.8269,-2.2807,-.516;4.8835,-1.1839,-.7216;4.1987,-1.0489,1.5971;3.8125,-2.4452,1.0335;3.0983,.4347,-.1066;2.4781,-1.7683,-.9989;2.1944,-.3353,-.759;.9486,.1763,-1.4231;-.4407,-.1565,-.93;1.1922,2.5027,.4258;-.7944,-.7775,.2794;-1.4844,.2728,-1.7663;.4052,2.1071,1.5109;.6358,3.2536,-.6128;-2.129,-.9561,.6358;-2.8183,.104,-1.434;-3.122,-.5128,-.2248;-.9512,2.423,1.532;-.7185,3.574,-.5789;-1.5147,3.1511,.4857;-5.2766,-2.3407,-.4562;5.1507,.6294,.5135;4.029,-3.2173,-1.0356;4.8955,-.7731,-1.7333;5.8835,-1.5594,-.4847;3.4302,-.6259,2.2458;5.1237,-1.0997,2.1759;4.5577,-3.1932,1.3134;2.8469,-2.7997,1.3947;-1.207,.7652,-2.689;.8479,1.5392,2.3188;1.2498,3.5432,-1.4558;-2.3885,-1.4017,1.5871;-3.6101,.4685,-2.0761;-1.5671,2.0943,2.3609;-1.1551,4.14,-1.3936;-2.573,3.3847,.4983;-5.1535,-2.2858,-1.5368;-4.6306,-3.098,-.0146;-6.3197,-2.5167,-.192; 0.2648613 0.1033642 0.0891256 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= 792 792 792 792 792 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= 776 RedAO= T EigKep= 1.45D-06 NBF= 776 NBsUse= 770 1.00D-06 EigRej= 9.42D-07 NBFU= 770 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= 792 792 792 792 792 MxSgAt= 48 MxSgA2= 48. 1 1.72288098e+00 -7.11393803e-01 1.09196364e-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 16 8 8 8 8 6 6 6 6 6 6 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 1 -0.005576582 0.010651057 0.009185710 -0.011462805 0.002252345 -0.000719945 0.001164153 0.006654256 -0.005962803 0.016719525 0.000827302 -0.004679727 -0.007369228 -0.011584290 -0.010494529 0.000135134 0.003546854 0.015697909 0.002959900 -0.014905120 -0.004206970 -0.006249333 -0.001210039 -0.000975919 0.003675943 0.004377129 -0.003831568 -0.003201750 0.002557345 -0.006266347 -0.002752144 0.001982935 0.006471190 0.003547660 0.004794330 0.004523731 -0.003869584 0.001282071 -0.000141737 -0.010090533 -0.000740662 0.001816550 0.003572345 -0.000113620 -0.002606889 0.005584056 0.006411103 0.006124920 -0.001382700 -0.000568942 -0.001781037 -0.000092789 -0.002059414 0.000956371 0.002575267 -0.003174378 -0.000988771 0.000388862 -0.003620180 -0.004379099 0.000607474 0.003986026 0.003920909 -0.003196225 -0.002560340 -0.003960902 0.002534966 0.003059760 0.003836213 0.001425565 -0.003951776 -0.004413271 -0.003351957 -0.000860916 0.001217452 0.002560045 0.000996216 0.004292468 -0.000050196 -0.004597689 -0.002110974 0.002967573 -0.004144701 0.002108667 0.007861864 0.005446663 -0.004457572 -0.000140880 -0.000326055 0.000136329 0.001100438 -0.001030752 -0.000215002 0.000384291 -0.000798835 -0.000532754 -0.000504705 0.001276785 0.000171820 0.000117996 -0.000799272 0.000426434 -0.000958304 0.001023989 -0.000156892 -0.000202827 0.001391131 -0.000364244 0.000859320 -0.000940366 0.000303868 -0.001701015 0.000361257 -0.000785034 0.000522255 0.000761055 0.000011207 0.000040117 0.000194215 -0.001179206 0.000687789 -0.000430222 0.000470971 0.001395449 -0.000829336 0.000614437 0.000854537 0.000401694 0.001261632 0.000011944 -0.001403846 -0.000743494 0.000782866 -0.001168186 0.000642865 -0.001474907 -0.001880001 -0.001176873 -0.001829434 0.000842438 0.001615353 0.000420567 -0.001379015 0.001324551 0.016719525 0.004172997 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2407.62379193718 -2407.62379420362 -0.000002266442 -2407.62379412024 0.000000083384 -2407.62379424944 -0.000000129200 -2407.62379425205 -0.000000002608 -2407.62379425190 0.000000000152 -2407.62379425235 -0.000000000456 -2407.62379425244 -0.000000000088 -2407.62379425231 0.000000000133 -2407.62379425209 0.000000000218 -2407.62379425 10 2.400654610895e+03 -1.260206778861e+04 4.326690454008e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323309675 LenY= 11322660845 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) PT194387.100S 2023-04-15T22:57:38.000 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 S O O O O C C C C C C 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 H 0.011175 0.178790 1.067562 -0.220815 -0.111006 -0.152184 -0.130359 0.350767 0.419665 -0.913809 -0.352994 -0.455567 -0.299361 -0.904172 0.603233 -0.082259 0.632400 1.150523 -0.232106 -0.326140 -0.935540 -0.169159 -0.316328 -0.712969 0.253812 -0.236360 -0.276883 -0.255542 -0.686075 0.158619 0.163017 0.156668 0.154680 0.155469 0.153295 0.157623 0.162271 0.154968 0.160009 0.143628 0.176439 0.168741 0.129285 0.131213 0.133282 0.206480 0.208282 0.227734 -0.00000 -101.57478 -89.06340 -88.88251 -19.13418 -19.12697 -19.12692 -19.11328 -10.29087 -10.27399 -10.26568 -10.24520 -10.23735 -10.22649 -10.22544 -10.22405 -10.22042 -10.21442 -10.21150 -10.20858 -10.19944 -10.19856 -10.19822 -10.19624 -10.19445 -10.19421 -10.19262 -10.18950 -10.18901 -10.18729 -9.49019 -8.12768 -7.96834 -7.25478 -7.24500 -7.24443 -6.09013 -6.08945 -6.08890 -5.93220 -5.92787 -5.92284 -1.12247 -1.07194 -1.04676 -1.01874 -0.92626 -0.89957 -0.88475 -0.87325 -0.83296 -0.81615 -0.79228 -0.78447 -0.77191 -0.77099 -0.76402 -0.73496 -0.72569 -0.69650 -0.65549 -0.64273 -0.63000 -0.62900 -0.61501 -0.60352 -0.58926 -0.57633 -0.55550 -0.53994 -0.53385 -0.51670 -0.51493 -0.49896 -0.49213 -0.48808 -0.48286 -0.47957 -0.47921 -0.47368 -0.46695 -0.46184 -0.45969 -0.45688 -0.44881 -0.44534 -0.44357 -0.44060 -0.43649 -0.42360 -0.40799 -0.40097 -0.39732 -0.39286 -0.38694 -0.38331 -0.37382 -0.37185 -0.36717 -0.36609 -0.35875 -0.35625 -0.35038 -0.34848 -0.34456 -0.33754 -0.33482 -0.31910 -0.31498 -0.30857 -0.29693 -0.28494 -0.28423 -0.27667 -0.27300 -0.25562 -0.24421 -0.09979 -0.06934 -0.05118 -0.04851 -0.03327 -0.01674 -0.01566 -0.00976 -0.00603 0.00055 0.01190 0.01458 0.01856 0.01880 0.02289 0.02684 0.02903 0.03376 0.03463 0.03811 0.04116 0.04322 0.04551 0.05005 0.05036 0.05344 0.05617 0.06216 0.06288 0.06570 0.06760 0.06910 0.07703 0.08071 0.08103 0.08433 0.08813 0.09021 0.09304 0.09372 0.09567 0.09910 0.10407 0.10617 0.10983 0.11093 0.11305 0.11790 0.11980 0.12136 0.12278 0.12646 0.12974 0.13082 0.13363 0.13712 0.13829 0.13896 0.14336 0.14635 0.14793 0.15112 0.15450 0.15645 0.15713 0.15758 0.16296 0.16430 0.16706 0.17001 0.17217 0.17369 0.17755 0.17868 0.18089 0.18334 0.18519 0.18829 0.18965 0.19136 0.19488 0.19561 0.19702 0.20187 0.20267 0.20380 0.20450 0.20839 0.21091 0.21245 0.21597 0.21850 0.22231 0.22417 0.22642 0.22852 0.23110 0.23315 0.23461 0.23753 0.24019 0.24199 0.24318 0.24417 0.24816 0.25004 0.25313 0.25579 0.25804 0.25917 0.26279 0.26358 0.26521 0.26755 0.26900 0.27590 0.27855 0.28043 0.28074 0.28544 0.28823 0.28926 0.29290 0.29330 0.29946 0.30119 0.30371 0.30570 0.30845 0.31362 0.31536 0.31633 0.31950 0.32317 0.32727 0.33234 0.33611 0.33856 0.34042 0.34350 0.34518 0.34713 0.34873 0.35141 0.35763 0.35970 0.36013 0.36194 0.36437 0.37162 0.37622 0.38124 0.38362 0.38695 0.38940 0.39457 0.39704 0.39963 0.40592 0.40804 0.41601 0.41683 0.41997 0.43081 0.43577 0.44165 0.44354 0.44940 0.45300 0.46666 0.46851 0.48294 0.48421 0.48991 0.49379 0.49952 0.50150 0.50442 0.51342 0.51982 0.52223 0.52827 0.53004 0.53947 0.54215 0.54691 0.55289 0.55401 0.56119 0.56949 0.57120 0.57695 0.58979 0.59624 0.60020 0.60822 0.61054 0.61225 0.61706 0.61869 0.62382 0.63146 0.63638 0.63859 0.64094 0.64364 0.64904 0.65504 0.65828 0.66262 0.66319 0.66576 0.66757 0.67450 0.67628 0.68004 0.68199 0.68773 0.69191 0.69493 0.70172 0.70466 0.70657 0.71026 0.71264 0.71610 0.71796 0.71983 0.72599 0.72706 0.72987 0.73220 0.73827 0.74088 0.74439 0.74873 0.75040 0.75606 0.75804 0.76222 0.76993 0.77060 0.77872 0.78430 0.78873 0.79966 0.80601 0.81188 0.81415 0.81951 0.82173 0.82893 0.83459 0.83838 0.84368 0.84942 0.85482 0.85902 0.86271 0.86950 0.87460 0.88304 0.88576 0.89294 0.89601 0.90103 0.90491 0.92909 0.92987 0.93541 0.94569 0.94866 0.95297 0.95983 0.96637 0.97331 0.97851 0.98171 0.99212 0.99892 1.00897 1.01367 1.01960 1.02263 1.02531 1.03707 1.04381 1.04682 1.05651 1.06307 1.06591 1.07583 1.08816 1.09024 1.09578 1.10568 1.11388 1.12555 1.13035 1.13145 1.13895 1.14040 1.15302 1.16063 1.16762 1.17442 1.17701 1.18709 1.19147 1.19311 1.19970 1.20503 1.20848 1.21483 1.22741 1.23229 1.24614 1.24681 1.25752 1.26165 1.27210 1.28341 1.28491 1.29610 1.29785 1.30703 1.31348 1.32329 1.33088 1.33912 1.35143 1.35377 1.36980 1.37685 1.40139 1.40581 1.41124 1.42223 1.43865 1.44608 1.47311 1.48187 1.48921 1.49643 1.50132 1.50947 1.51343 1.52383 1.52452 1.53269 1.53328 1.53863 1.54568 1.55230 1.55523 1.56799 1.58080 1.58413 1.59571 1.60103 1.60548 1.60909 1.61189 1.61882 1.62576 1.62843 1.64010 1.64549 1.65020 1.65517 1.65824 1.67047 1.67505 1.67955 1.68261 1.69234 1.69516 1.70098 1.70992 1.71314 1.72668 1.73394 1.73581 1.74551 1.75291 1.75688 1.76466 1.76802 1.77739 1.78318 1.79209 1.80087 1.80450 1.81376 1.82458 1.83240 1.83523 1.84768 1.85402 1.85609 1.86689 1.87320 1.88021 1.88894 1.89445 1.90099 1.90577 1.91326 1.91709 1.92584 1.92925 1.93605 1.94383 1.94465 1.95357 1.95972 1.96322 1.97138 1.98445 1.99257 1.99559 2.00264 2.00368 2.01488 2.01736 2.02591 2.03387 2.03941 2.04622 2.06081 2.06770 2.07348 2.07889 2.09346 2.09641 2.10366 2.11048 2.13184 2.14000 2.14517 2.17857 2.18317 2.19158 2.20246 2.20522 2.21173 2.22759 2.23760 2.24628 2.27707 2.28017 2.29136 2.29544 2.31421 2.32172 2.32791 2.33825 2.35591 2.36260 2.38233 2.39514 2.40837 2.41593 2.42457 2.44012 2.44804 2.45481 2.46581 2.48889 2.49100 2.49353 2.50232 2.50944 2.51994 2.52750 2.53327 2.54729 2.56844 2.57450 2.58786 2.60455 2.61117 2.61836 2.62275 2.62668 2.64874 2.66657 2.68157 2.69636 2.70096 2.72122 2.73434 2.73915 2.74737 2.75322 2.76398 2.76424 2.77080 2.78135 2.78481 2.79592 2.79988 2.80791 2.80887 2.82573 2.82850 2.83473 2.83545 2.83757 2.84226 2.84571 2.85165 2.85411 2.86796 2.87495 2.87787 2.88891 2.89186 2.89933 2.90678 2.91433 2.91864 2.92597 2.93926 2.94058 2.94620 2.95130 2.96206 2.96874 2.97496 2.98639 2.99362 2.99691 3.01328 3.01621 3.03128 3.03830 3.06127 3.06461 3.08244 3.09999 3.10753 3.12218 3.14532 3.15510 3.17309 3.19611 3.20088 3.21620 3.23715 3.25620 3.26737 3.28336 3.30658 3.32608 3.35167 3.36528 3.37891 3.38858 3.39754 3.42671 3.43258 3.46453 3.51047 3.51736 3.52807 3.55404 3.56392 3.57451 3.58435 3.58583 3.62434 3.63215 3.65848 3.71294 3.71474 3.73144 3.75325 3.78164 3.80045 3.85015 3.88411 3.93950 3.98000 4.01441 4.03650 4.07011 4.08871 4.10363 4.12978 4.13747 4.14326 4.14785 4.20277 4.25801 4.28795 4.30040 4.40421 4.45451 4.81577 4.82561 5.03531 5.04407 5.09972 5.11623 5.13918 5.16215 5.17132 5.26853 5.28068 5.29599 5.78277 5.79459 8.05134 8.15394 9.93656 17.33989 17.41037 17.41236 17.54859 17.55358 17.60051 23.54987 23.61322 23.66482 23.81821 23.83188 23.86746 23.89979 23.90648 23.93748 23.94341 23.95152 23.96706 23.97232 23.97963 24.01082 24.03443 24.06246 24.06592 24.08380 24.14942 24.16621 24.17847 26.14937 26.57600 26.94669 49.87944 49.92326 50.00791 50.07357 189.23890 189.26957 215.95818 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 S O O O O C C C C C C 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 H 0.087793 0.320241 1.081623 -0.252061 -0.132774 -0.144181 -0.135525 0.464936 0.424789 -0.894226 -0.350305 -0.453687 -0.296869 -0.788775 0.468048 -0.106906 0.593942 0.895999 -0.251140 -0.327072 -0.663034 -0.262432 -0.596342 -0.864169 0.498436 -0.272339 -0.508996 -0.003745 -0.681582 0.155594 0.163505 0.157708 0.153613 0.161874 0.151783 0.157010 0.164884 0.158664 0.161727 0.154205 0.182102 0.168765 0.133023 0.136202 0.138548 0.209981 0.210185 0.230978 -0.00000 1.13352566e+00 -4.56367440e-01 2.10203843e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.8811 -1.1600 0.5343 3.1515 -187.5132 -187.8939 -197.5036 6.7203 17.1469 -4.2286 3.4570 3.0764 -6.5334 6.7203 17.1469 -4.2286 175.1340 -14.5999 7.6959 -57.0214 -127.4984 -47.8856 -7.3047 4.7243 -2.0165 -21.2276 -11451.9941 -3812.1505 -1676.2735 352.7544 239.2411 44.0637 -142.6616 78.5136 -17.6171 -2259.5138 -2246.0584 -923.6879 71.9095 27.7924 -33.6006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2407.6237943 5.545E-9 2.742E-6 8.8932997,3.0185844,-11.9118841,-1.9695777,-6.3501358,7.4720312 C01 [X(C22H19Cl1O4S2)] -0.6326131 1.052334 -0.1724272 0.000002341 -0.000000585 0.000002323 0.000005274 0.000003127 -0.000000788 -0.000001840 -0.000004489 0.000007565 -0.000002503 -0.000001132 0.000001408 0.000002819 -0.000005333 -0.000000375 0.000001316 -0.000002810 -0.000012162 0.000002247 0.000010470 0.000001932 0.000000293 0.000004927 0.000004013 -0.000007746 0.000000794 -0.000003038 0.000005826 0.000001227 0.000003652 -0.000002797 -0.000004069 -0.000006085 0.000001418 -0.000003591 -0.000002383 -0.000000968 -0.000007388 0.000002973 0.000003777 -0.000001891 -0.000005023 0.000001648 0.000006370 0.000003905 -0.000000516 -0.000001278 0.000003719 -0.000002531 0.000001932 -0.000003130 -0.000002396 -0.000000945 0.000001044 -0.000001521 -0.000000301 0.000001918 -0.000003113 0.000002804 -0.000001046 0.000003077 0.000000343 -0.000000279 0.000002453 -0.000000168 0.000002687 -0.000001003 0.000000358 -0.000002653 -0.000000220 0.000001684 0.000001333 0.000003673 -0.000003089 -0.000000853 -0.000000910 0.000001503 0.000000670 -0.000000380 0.000000219 0.000000448 -0.000000780 -0.000000184 0.000001139 -0.000004305 -0.000001827 0.000001986 0.000000012 0.000000440 -0.000000158 -0.000001541 -0.000000167 -0.000000408 -0.000001590 -0.000000260 -0.000000011 -0.000001152 -0.000000230 -0.000000975 -0.000000306 0.000000733 0.000001028 0.000000081 0.000000859 0.000001858 0.000000216 0.000000531 0.000000461 0.000000146 0.000001496 -0.000000589 -0.000000825 -0.000001547 0.000000069 -0.000000568 -0.000001080 0.000000868 -0.000000893 -0.000000599 0.000001430 0.000000316 0.000001285 -0.000001439 -0.000000985 -0.000000244 -0.000001350 0.000000869 0.000000829 0.000000044 -0.000000428 0.000000379 0.000001267 0.000000938 0.000000706 0.000000154 0.000000141 0.000001338 -0.000002192 0.000001500 0.000000049 -0.000001283 0.000001437 -0.000001195 -0.000003675 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; Gaussian 16 GINC-GARGANTILLA APULGAR Optimization benzobicyclon CONF5 gas EM64L-G16RevC.01 138 C1[X(C22H19ClO4S2)] 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; Optimization benzobicyclon CONF5 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 32 16 16 16 16 12 12 12 12 12 12 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 1 34.9688527 31.9720718 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 3 0 0 0 0 0 0 0 0 0 0 0 0 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 1 14.2400000 13.6000000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/27_herbicides/benzobicyclon/gaussian/gas/CONF5/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 R51 1 2 2 3 3 3 3 4 5 8 8 8 8 9 9 9 9 10 10 11 11 11 12 12 13 14 15 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 26 26 27 27 28 29 29 29 19 13 18 6 7 25 29 14 16 10 11 13 30 10 12 14 31 32 33 12 34 35 36 37 15 15 16 17 19 20 21 22 23 24 38 26 39 27 40 25 41 25 42 28 43 28 44 45 46 47 48 1.7567 1.7653 1.7987 1.4673 1.467 1.8069 1.8081 1.2215 1.2153 1.5364 1.5594 1.5194 1.0919 1.5367 1.5583 1.5215 1.09 1.092 1.0942 1.5544 1.0911 1.0924 1.0924 1.0902 1.3549 1.4804 1.5016 1.5113 1.4047 1.4047 1.3976 1.3973 1.3929 1.385 1.082 1.3929 1.0822 1.3921 1.0823 1.3868 1.082 1.391 1.0826 1.3937 1.0837 1.3951 1.0838 1.0838 1.089 1.089 1.0903 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A85 A86 A87 A88 A89 A90 A91 13 6 6 6 7 7 25 10 10 10 11 11 13 10 10 10 12 12 14 8 8 8 9 9 32 8 8 8 12 12 34 9 9 9 11 11 36 2 2 8 4 4 9 13 13 14 5 5 15 16 16 19 2 2 21 1 1 17 17 17 24 18 18 26 18 18 27 19 19 25 20 20 25 3 3 23 21 21 28 22 22 28 26 26 27 3 3 3 46 46 47 2 3 3 3 3 3 3 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 18 7 25 29 25 29 29 11 13 30 13 30 30 12 14 31 14 31 31 9 32 33 32 33 33 12 34 35 34 35 35 11 36 37 36 37 37 8 15 15 9 15 15 14 16 16 15 17 17 19 20 20 21 22 22 17 23 23 24 38 38 26 39 39 27 40 40 25 41 41 25 42 42 23 24 24 28 43 43 28 44 44 27 45 45 46 47 48 47 48 48 106.8603 121.2441 107.6922 107.8185 107.527 107.8457 103.2992 102.923 108.9445 113.3912 109.399 111.9529 109.972 102.3985 109.0682 114.9611 110.0557 112.6467 107.6063 100.1238 112.9155 110.6459 113.5782 110.7617 108.6433 104.5314 111.3533 109.506 112.8849 111.1463 107.4239 105.2752 108.7135 111.8358 110.6531 113.0762 107.2558 111.2693 128.8641 119.7878 122.4151 121.1865 116.3911 120.0143 124.952 114.6581 117.8436 119.2133 122.9137 127.5655 114.9289 117.4283 119.3205 120.265 120.3323 123.8045 114.9419 121.2125 122.3782 117.1482 120.4648 119.7297 119.8557 120.4012 119.5385 119.7917 120.6147 119.0968 120.5047 120.3609 118.2222 121.4007 120.3461 118.7534 119.5826 121.6617 120.0604 119.7505 120.1876 120.2675 119.5864 120.1378 120.0322 119.9151 120.0523 108.5847 108.5833 105.9008 111.7378 110.8976 110.9114 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 18 18 13 13 6 6 7 7 29 29 6 6 6 7 7 7 25 25 25 11 11 11 13 13 13 30 30 30 10 10 10 13 13 13 30 30 30 10 10 11 11 30 30 12 12 12 14 14 14 31 31 31 10 10 10 14 14 14 31 31 31 10 10 12 12 31 31 8 8 8 34 34 34 35 35 35 2 2 8 8 4 4 9 9 13 13 14 14 5 5 15 15 16 16 20 20 16 16 19 19 2 2 22 22 2 2 21 21 1 1 17 17 17 17 38 38 18 18 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 44 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 13 13 18 18 25 25 25 25 25 25 29 29 29 29 29 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 28 8 15 21 22 23 24 23 24 23 24 46 47 48 46 47 48 46 47 48 9 32 33 9 32 33 9 32 33 12 34 35 12 34 35 12 34 35 2 15 2 15 2 15 8 32 33 8 32 33 8 32 33 11 36 37 11 36 37 11 36 37 4 15 4 15 4 15 9 36 37 9 36 37 9 36 37 14 16 14 16 13 16 13 16 5 17 5 17 19 20 19 20 1 23 1 23 24 38 24 38 26 39 26 39 27 40 27 40 25 41 25 41 25 42 25 42 28 43 28 43 28 44 28 44 3 24 3 24 3 23 3 23 27 45 27 45 26 45 26 45 -158.78 17.9342 81.0112 -102.2746 22.7025 -156.7451 154.8997 -24.5479 -91.2166 89.3358 -174.5673 -52.8804 66.2839 52.9134 174.6003 -66.2354 -60.7395 60.9473 -179.8883 47.2267 168.3327 -69.6505 -68.8166 52.2894 174.3062 168.3683 -70.5256 51.4912 -28.873 -151.0596 90.2826 86.8446 -35.3421 -153.9998 -150.9902 86.8232 -31.8345 -147.513 35.4346 100.6758 -76.3765 -22.6692 160.2785 -47.2511 -167.8809 69.5396 69.3321 -51.2977 -173.8772 -169.7436 69.6266 -52.9529 29.5122 -89.0783 152.6836 -86.3587 155.0509 36.8128 153.5609 34.9704 -83.2677 144.7072 -36.2665 -103.6986 75.3277 19.3876 -161.5861 -0.4303 116.8517 -122.8054 120.7477 -121.9703 -1.6274 -118.4714 -1.1894 119.1536 -174.2458 13.1775 2.2258 -170.351 177.2218 -9.4695 -1.8173 171.4914 68.8831 -113.111 -104.046 73.9599 -171.2744 5.4179 10.7458 -172.5619 -1.1266 176.421 -177.7472 -0.1995 -176.9579 1.9708 0.0885 179.0172 179.0179 -2.3071 2.306 -179.019 -178.4882 4.1951 -1.8075 -179.1242 177.8819 0.1056 0.1291 -177.6472 0.0903 178.071 -178.8037 -0.823 -1.1309 178.4228 -179.7986 -0.2449 0.1381 -178.8146 177.4322 -1.5205 -179.3758 0.0598 -1.5962 177.8394 179.2641 -0.167 1.2613 -178.1697 -0.5272 179.2158 179.9211 -0.3359 1.0277 -178.7149 179.9746 0.232 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00172 0.00214 0.00215 0.00393 0.00658 0.00950 0.01052 0.01217 0.01301 0.01484 0.01675 0.01698 0.01743 0.01818 0.01853 0.01904 0.02003 0.02109 0.02209 0.02312 0.02455 0.02504 0.02530 0.02588 0.02616 0.02817 0.02865 0.02908 0.03033 0.03228 0.03433 0.03880 0.03949 0.04002 0.04029 0.04131 0.04136 0.04152 0.04277 0.04299 0.04748 0.05131 0.05745 0.06036 0.06109 0.06633 0.06881 0.06992 0.08086 0.08104 0.08958 0.09022 0.09297 0.11007 0.11440 0.11521 0.11570 0.11811 0.11850 0.12189 0.12275 0.12368 0.12393 0.12587 0.12775 0.13780 0.14880 0.15517 0.15913 0.16275 0.16807 0.17345 0.17529 0.17700 0.18357 0.18910 0.19059 0.19395 0.19468 0.19734 0.19890 0.20009 0.20425 0.20731 0.21035 0.21168 0.21329 0.21576 0.23008 0.23251 0.23413 0.24193 0.24589 0.25265 0.25394 0.27059 0.27630 0.27920 0.29214 0.30108 0.30948 0.32913 0.32937 0.33233 0.33421 0.33807 0.33920 0.34015 0.34110 0.34345 0.34472 0.34616 0.34945 0.35548 0.35593 0.35811 0.36062 0.36125 0.36195 0.36296 0.36906 0.41020 0.41148 0.41496 0.44133 0.45833 0.45907 0.46167 0.46634 0.47694 0.50446 0.50646 0.56373 0.57089 0.77803 0.79100 0.82079 1.30551 Angle between quadratic step and forces= 80.12 degrees. 1 2 0.00020628 0.00000004 0.00000004 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 3.31965 3.33587 3.39903 2.77281 2.77217 3.41459 3.41683 2.30831 2.29656 2.90332 2.94679 2.87133 2.06346 2.90403 2.94468 2.87517 2.05973 2.06353 2.06766 2.93748 2.06179 2.06429 2.06428 2.06027 2.56033 2.79762 2.83754 2.85592 2.65459 2.65444 2.64103 2.64045 2.63214 2.61719 2.04470 2.63215 2.04501 2.63070 2.04533 2.62069 2.04477 2.62859 2.04582 2.63369 2.04789 2.63634 2.04805 2.04817 2.05793 2.05795 2.06042 1.86506 2.11611 1.87958 1.88179 1.87670 1.88226 1.80291 1.79635 1.90144 1.97905 1.90937 1.95395 1.91937 1.78719 1.90360 2.00645 1.92083 1.96605 1.87808 1.74749 1.97075 1.93114 1.98231 1.93316 1.89618 1.82442 1.94348 1.91124 1.97021 1.93987 1.87490 1.83740 1.89741 1.95190 1.93126 1.97355 1.87197 1.94202 2.24910 2.09069 2.13655 2.11510 2.03141 2.09465 2.18082 2.00116 2.05676 2.08066 2.14525 2.22644 2.00589 2.04951 2.08254 2.09902 2.10020 2.16080 2.00611 2.11556 2.13590 2.04462 2.10251 2.08968 2.09188 2.10140 2.08634 2.09076 2.10512 2.07863 2.10320 2.10069 2.06337 2.11884 2.10044 2.07264 2.08711 2.12340 2.09545 2.09004 2.09767 2.09906 2.08718 2.09680 2.09496 2.09291 2.09531 1.89516 1.89514 1.84832 1.95019 1.93553 1.93577 -2.77123 0.31301 1.41391 -1.78503 0.39623 -2.73572 2.70351 -0.42844 -1.59203 1.55920 -3.04677 -0.92294 1.15687 0.92351 3.04735 -1.15603 -1.06010 1.06373 -3.13964 0.82426 2.93796 -1.21563 -1.20108 0.91262 3.04222 2.93858 -1.23090 0.89869 -0.50393 -2.63649 1.57573 1.51572 -0.61684 -2.68780 -2.63528 1.51535 -0.55562 -2.57459 0.61845 1.75712 -1.33302 -0.39565 2.79739 -0.82469 -2.93007 1.21370 1.21007 -0.89531 -3.03473 -2.96258 1.21521 -0.92420 0.51509 -1.55471 2.66483 -1.50724 2.70615 0.64250 2.68014 0.61035 -1.45329 2.52562 -0.63297 -1.80988 1.31472 0.33838 -2.82021 -0.00751 2.03945 -2.14336 2.10745 -2.12878 -0.02840 -2.06772 -0.02076 2.07962 -3.04116 0.22999 0.03885 -2.97319 3.09310 -0.16527 -0.03172 2.99309 1.20224 -1.97416 -1.81594 1.29084 -2.98930 0.09456 0.18755 -3.01177 -0.01966 3.07913 -3.10227 -0.00348 -3.08850 0.03440 0.00155 3.12444 3.12445 -0.04027 0.04025 -3.12447 -3.11521 0.07322 -0.03155 -3.12631 3.10462 0.00184 0.00225 -3.10053 0.00158 3.10792 -3.12071 -0.01436 -0.01974 3.11406 -3.13808 -0.00428 0.00241 -3.12090 3.09678 -0.02654 -3.13070 0.00104 -0.02786 3.10388 3.12875 -0.00291 0.02201 -3.10965 -0.00920 3.12791 3.14022 -0.00586 0.01794 -3.11916 3.14115 0.00405 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 -0.00003 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 -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 0.00003 0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00004 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00002 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00003 0.00001 -0.00012 -0.00012 0.00005 0.00008 0.00003 0.00000 0.00005 0.00002 0.00002 -0.00001 0.00057 0.00057 0.00059 0.00057 0.00057 0.00060 0.00058 0.00058 0.00060 0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 -0.00004 -0.00005 -0.00004 -0.00004 -0.00005 -0.00004 -0.00003 -0.00004 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00004 -0.00000 -0.00001 0.00001 0.00002 0.00002 0.00003 -0.00006 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00003 -0.00000 0.00003 -0.00000 0.00002 -0.00002 0.00006 0.00008 0.00006 0.00008 0.00009 0.00007 0.00005 0.00007 0.00005 -0.00003 0.00003 -0.00002 0.00003 -0.00002 -0.00007 0.00001 -0.00004 -0.00003 -0.00007 0.00002 -0.00002 0.00008 0.00010 0.00013 0.00014 0.00002 0.00005 0.00001 0.00003 -0.00004 -0.00003 -0.00003 -0.00002 0.00003 0.00006 0.00000 0.00004 -0.00003 -0.00003 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00004 0.00000 0.00002 0.00000 0.00002 0.00001 -0.00000 -0.00003 -0.00004 0.00000 0.00000 0.00001 0.00001 -0.00003 -0.00000 -0.00001 0.00002 0.00004 0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00002 0.00001 0.00002 0.00000 -0.00003 -0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 -0.00003 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 -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 0.00003 0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00004 0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00002 -0.00002 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00003 0.00001 -0.00012 -0.00012 0.00005 0.00008 0.00003 0.00000 0.00005 0.00002 0.00002 -0.00001 0.00057 0.00057 0.00059 0.00057 0.00057 0.00060 0.00058 0.00058 0.00060 0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 -0.00004 -0.00005 -0.00004 -0.00004 -0.00005 -0.00004 -0.00003 -0.00004 -0.00003 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00004 -0.00000 -0.00001 0.00001 0.00002 0.00002 0.00003 -0.00006 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00003 -0.00000 0.00003 -0.00000 0.00002 -0.00002 0.00006 0.00008 0.00006 0.00008 0.00009 0.00007 0.00005 0.00007 0.00005 -0.00003 0.00003 -0.00002 0.00003 -0.00002 -0.00007 0.00001 -0.00004 -0.00003 -0.00007 0.00002 -0.00002 0.00008 0.00010 0.00013 0.00014 0.00002 0.00005 0.00001 0.00003 -0.00004 -0.00003 -0.00003 -0.00002 0.00003 0.00006 0.00000 0.00004 -0.00003 -0.00003 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00004 0.00000 0.00002 0.00000 0.00002 0.00001 -0.00000 -0.00003 -0.00004 0.00000 0.00000 0.00001 0.00001 -0.00003 -0.00000 -0.00001 0.00002 0.00004 0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00002 0.00001 0.00002 3.31965 3.33584 3.39903 2.77278 2.77215 3.41458 3.41682 2.30830 2.29657 2.90332 2.94675 2.87135 2.06346 2.90401 2.94469 2.87518 2.05973 2.06353 2.06766 2.93748 2.06179 2.06429 2.06428 2.06027 2.56033 2.79762 2.83754 2.85589 2.65459 2.65444 2.64103 2.64044 2.63213 2.61719 2.04470 2.63215 2.04501 2.63069 2.04533 2.62069 2.04477 2.62859 2.04582 2.63369 2.04789 2.63634 2.04805 2.04817 2.05793 2.05795 2.06042 1.86509 2.11611 1.87959 1.88180 1.87671 1.88224 1.80290 1.79634 1.90143 1.97904 1.90938 1.95396 1.91938 1.78720 1.90361 2.00645 1.92080 1.96606 1.87810 1.74750 1.97074 1.93114 1.98232 1.93316 1.89617 1.82442 1.94349 1.91125 1.97021 1.93986 1.87488 1.83740 1.89742 1.95190 1.93126 1.97355 1.87195 1.94201 2.24912 2.09068 2.13656 2.11511 2.03139 2.09466 2.18080 2.00116 2.05678 2.08065 2.14524 2.22645 2.00587 2.04951 2.08253 2.09902 2.10019 2.16080 2.00611 2.11555 2.13590 2.04463 2.10250 2.08968 2.09188 2.10140 2.08635 2.09076 2.10512 2.07864 2.10319 2.10070 2.06337 2.11883 2.10044 2.07264 2.08711 2.12339 2.09545 2.09004 2.09767 2.09906 2.08717 2.09680 2.09496 2.09291 2.09531 1.89517 1.89515 1.84833 1.95018 1.93550 1.93578 -2.77135 0.31289 1.41397 -1.78495 0.39627 -2.73571 2.70356 -0.42842 -1.59201 1.55919 -3.04620 -0.92237 1.15747 0.92409 3.04792 -1.15543 -1.05952 1.06431 -3.13904 0.82427 2.93798 -1.21564 -1.20107 0.91264 3.04221 2.93860 -1.23088 0.89869 -0.50396 -2.63653 1.57569 1.51568 -0.61689 -2.68785 -2.63530 1.51531 -0.55565 -2.57458 0.61846 1.75714 -1.33301 -0.39566 2.79738 -0.82465 -2.93004 1.21374 1.21007 -0.89532 -3.03472 -2.96256 1.21523 -0.92417 0.51503 -1.55477 2.66478 -1.50730 2.70609 0.64245 2.68009 0.61030 -1.45334 2.52565 -0.63297 -1.80985 1.31471 0.33840 -2.82022 -0.00745 2.03952 -2.14330 2.10752 -2.12869 -0.02833 -2.06766 -0.02069 2.07967 -3.04119 0.23002 0.03882 -2.97316 3.09308 -0.16534 -0.03170 2.99305 1.20221 -1.97423 -1.81592 1.29082 -2.98922 0.09466 0.18768 -3.01163 -0.01964 3.07917 -3.10227 -0.00345 -3.08854 0.03436 0.00152 3.12442 3.12448 -0.04021 0.04025 -3.12443 -3.11524 0.07318 -0.03155 -3.12632 3.10463 0.00183 0.00223 -3.10057 0.00158 3.10795 -3.12071 -0.01435 -0.01973 3.11406 -3.13811 -0.00431 0.00241 -3.12090 3.09678 -0.02653 -3.13073 0.00104 -0.02787 3.10390 3.12879 -0.00290 0.02204 -3.10965 -0.00921 3.12789 3.14021 -0.00587 0.01794 -3.11915 3.14116 0.00406 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.001484 0.000206 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.331320e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 2 2 3 3 3 3 4 5 8 8 8 8 9 9 9 9 10 10 11 11 11 12 12 13 14 15 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 26 26 27 27 28 29 29 29 19 13 18 6 7 25 29 14 16 10 11 13 30 10 12 14 31 32 33 12 34 35 36 37 15 15 16 17 19 20 21 22 23 24 38 26 39 27 40 25 41 25 42 28 43 28 44 45 46 47 48 1.7567 1.7653 1.7987 1.4673 1.467 1.8069 1.8081 1.2215 1.2153 1.5364 1.5594 1.5194 1.0919 1.5367 1.5583 1.5215 1.09 1.092 1.0942 1.5544 1.0911 1.0924 1.0924 1.0902 1.3549 1.4804 1.5016 1.5113 1.4047 1.4047 1.3976 1.3973 1.3929 1.385 1.082 1.3929 1.0822 1.3921 1.0823 1.3868 1.082 1.391 1.0826 1.3937 1.0837 1.3951 1.0838 1.0838 1.089 1.089 1.0903 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A85 A86 A87 A88 A89 A90 A91 13 6 6 6 7 7 25 10 10 10 11 11 13 10 10 10 12 12 14 8 8 8 9 9 32 8 8 8 12 12 34 9 9 9 11 11 36 2 2 8 4 4 9 13 13 14 5 5 15 16 16 19 2 2 21 1 1 17 17 17 24 18 18 26 18 18 27 19 19 25 20 20 25 3 3 23 21 21 28 22 22 28 26 26 27 3 3 3 46 46 47 2 3 3 3 3 3 3 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 29 29 29 18 7 25 29 25 29 29 11 13 30 13 30 30 12 14 31 14 31 31 9 32 33 32 33 33 12 34 35 34 35 35 11 36 37 36 37 37 8 15 15 9 15 15 14 16 16 15 17 17 19 20 20 21 22 22 17 23 23 24 38 38 26 39 39 27 40 40 25 41 41 25 42 42 23 24 24 28 43 43 28 44 44 27 45 45 46 47 48 47 48 48 106.8603 121.2441 107.6922 107.8185 107.527 107.8457 103.2992 102.923 108.9445 113.3912 109.399 111.9529 109.972 102.3985 109.0682 114.9611 110.0557 112.6467 107.6063 100.1238 112.9155 110.6459 113.5782 110.7617 108.6433 104.5314 111.3533 109.506 112.8849 111.1463 107.4239 105.2752 108.7135 111.8358 110.6531 113.0762 107.2558 111.2693 128.8641 119.7878 122.4151 121.1865 116.3911 120.0143 124.952 114.6581 117.8436 119.2133 122.9137 127.5655 114.9289 117.4283 119.3205 120.265 120.3323 123.8045 114.9419 121.2125 122.3782 117.1482 120.4648 119.7297 119.8557 120.4012 119.5385 119.7917 120.6147 119.0968 120.5047 120.3609 118.2222 121.4007 120.3461 118.7534 119.5826 121.6617 120.0604 119.7505 120.1876 120.2675 119.5864 120.1378 120.0322 119.9151 120.0523 108.5847 108.5833 105.9008 111.7378 110.8976 110.9114 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 18 18 13 13 6 6 7 7 29 29 6 6 6 7 7 7 25 25 25 11 11 11 13 13 13 30 30 30 10 10 10 13 13 13 30 30 30 10 10 11 11 30 30 12 12 12 14 14 14 31 31 31 10 10 10 14 14 14 31 31 31 10 10 12 12 31 31 8 8 8 34 34 34 35 35 35 2 2 8 8 4 4 9 9 13 13 14 14 5 5 15 15 16 16 20 20 16 16 19 19 2 2 22 22 2 2 21 21 1 1 17 17 17 17 38 38 18 18 39 39 18 18 40 40 19 19 41 41 20 20 42 42 21 21 43 43 22 22 44 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 13 13 18 18 25 25 25 25 25 25 29 29 29 29 29 29 29 29 29 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 26 26 26 26 27 27 27 27 25 25 25 25 25 25 25 25 28 28 28 28 28 28 28 8 15 21 22 23 24 23 24 23 24 46 47 48 46 47 48 46 47 48 9 32 33 9 32 33 9 32 33 12 34 35 12 34 35 12 34 35 2 15 2 15 2 15 8 32 33 8 32 33 8 32 33 11 36 37 11 36 37 11 36 37 4 15 4 15 4 15 9 36 37 9 36 37 9 36 37 14 16 14 16 13 16 13 16 5 17 5 17 19 20 19 20 1 23 1 23 24 38 24 38 26 39 26 39 27 40 27 40 25 41 25 41 25 42 25 42 28 43 28 43 28 44 28 44 3 24 3 24 3 23 3 23 27 45 27 45 26 45 26 -158.78 17.9342 81.0112 -102.2746 22.7025 -156.7451 154.8997 -24.5479 -91.2166 89.3358 -174.5673 -52.8804 66.2839 52.9134 174.6003 -66.2354 -60.7395 60.9473 -179.8883 47.2267 168.3327 -69.6505 -68.8166 52.2894 174.3062 168.3683 -70.5256 51.4912 -28.873 -151.0596 90.2826 86.8446 -35.3421 -153.9998 -150.9902 86.8232 -31.8345 -147.513 35.4346 100.6758 -76.3765 -22.6692 160.2785 -47.2511 -167.8809 69.5396 69.3321 -51.2977 -173.8772 -169.7436 69.6266 -52.9529 29.5122 -89.0783 152.6836 -86.3587 155.0509 36.8128 153.5609 34.9704 -83.2677 144.7072 -36.2665 -103.6986 75.3277 19.3876 -161.5861 -0.4303 116.8517 -122.8054 120.7477 -121.9703 -1.6274 -118.4714 -1.1894 119.1536 -174.2458 13.1775 2.2258 -170.351 177.2218 -9.4695 -1.8173 171.4914 68.8831 -113.111 -104.046 73.9599 -171.2744 5.4179 10.7458 -172.5619 -1.1266 176.421 -177.7472 -0.1995 -176.9579 1.9708 0.0885 179.0172 179.0179 -2.3071 2.306 -179.019 -178.4882 4.1951 -1.8075 -179.1242 177.8819 0.1056 0.1291 -177.6472 0.0903 178.071 -178.8037 -0.823 -1.1309 178.4228 -179.7986 -0.2449 0.1381 -178.8146 177.4322 -1.5205 -179.3758 0.0598 -1.5962 177.8394 179.2641 -0.167 1.2613 -178.1697 -0.5272 179.2158 179.9211 -0.3359 1.0277 -178.7149 179.9746 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 805 A 776 A 776 1241 805 116 116 3467.1736437934 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 -0.0747143345 0.000000 4.423434 0.000000 5.394268 8.302802 0.000000 3.478610 5.170000 6.976258 0.000000 4.520695 3.627681 6.694360 3.514070 0.000000 5.291496 8.486931 1.467305 7.495874 7.464797 0.000000 6.509581 8.818308 1.466969 7.883687 7.021112 2.556935 0.000000 4.367344 2.714929 9.291449 4.071724 4.453313 9.446064 10.100107 0.000000 4.100291 4.577099 8.847385 2.408201 4.587691 9.113291 9.806373 2.356279 0.000000 5.020038 3.989813 9.792718 3.576463 4.642456 10.082228 10.626211 1.536370 1.536749 0.000000 3.839497 3.596696 9.153171 4.287803 5.434213 9.095803 10.133183 1.559373 2.474020 2.421501 0.000000 3.645397 4.678629 8.864270 3.356843 5.507422 8.875809 9.946850 2.462589 1.558259 2.412070 1.554446 0.000000 3.610428 1.765267 8.041915 3.564453 3.102288 8.299948 8.742405 1.519443 2.841080 2.486944 2.512828 3.178563 0.000000 3.278503 4.159139 7.506239 1.221504 3.299351 7.908409 8.389808 2.850936 1.521472 2.490818 3.196384 2.523715 2.456428 0.000000 3.048121 2.820163 7.128107 2.357244 2.331569 7.526863 7.861986 2.487932 2.551270 2.820112 3.174571 3.206740 1.354870 1.480438 0.000000 3.313939 3.339236 6.104656 2.765041 1.215289 6.713593 6.658456 3.908210 3.891612 4.222081 4.602801 4.594462 2.534038 2.510225 1.501559 0.000000 2.793765 4.296354 4.602040 3.199657 2.356632 5.228202 5.237469 5.025495 4.785009 5.426438 5.357842 5.213759 3.681347 3.335036 2.646661 1.511287 0.000000 4.053623 1.798692 6.856587 5.389282 3.289669 7.073834 7.230702 4.191336 5.541592 5.341626 4.798369 5.631717 2.862395 4.682377 3.234506 2.981525 3.402308 0.000000 1.756685 4.730292 4.055989 3.502518 3.669666 4.345211 5.010534 5.254117 4.924252 5.779717 5.171110 4.957117 4.095298 3.650310 3.194734 2.616472 1.404748 3.837660 0.000000 4.061758 5.274454 4.052758 4.192543 2.707118 5.004207 4.357790 6.285024 6.024450 6.615431 6.734778 6.579054 4.876754 4.522952 3.862373 2.458989 1.404671 4.116101 2.400893 0.000000 3.433609 2.765952 6.104669 5.660718 4.179678 6.078706 6.604771 4.764362 5.921919 5.989133 4.935378 5.706197 3.558939 5.061115 3.784021 3.554050 3.434746 1.397573 3.358118 4.204277 0.000000 5.039649 2.778667 6.837145 5.910632 3.033454 7.276834 6.939435 5.189243 6.389183 6.143839 6.007483 6.728920 3.777168 5.363161 3.915465 3.197526 3.590048 1.397264 4.369416 3.835553 2.424442 0.000000 2.662642 5.935907 2.756634 4.629967 4.786322 2.970292 3.875218 6.607172 6.209139 7.146247 6.400893 6.138113 5.459851 4.955505 4.584982 3.872018 2.437476 4.799743 1.392866 2.774153 4.070807 5.188946 0.000000 4.546752 6.381919 2.771541 5.176212 4.087861 3.894300 2.993042 7.459098 7.119553 7.841150 7.730108 7.520258 6.072721 5.634439 5.076931 3.767569 2.444332 5.029612 2.794470 1.384957 4.803804 4.746122 2.425531 0.000000 3.968436 6.644772 1.806921 5.338412 4.932327 2.651307 2.648302 7.574141 7.176151 8.048883 7.562950 7.307828 6.293140 5.791084 5.346042 4.298825 2.795231 5.303598 2.396241 2.382221 4.724144 5.334523 1.386808 1.390990 0.000000 3.975942 4.065873 5.176711 6.357430 4.710104 5.136301 5.513983 6.084876 7.010659 7.220245 6.211227 6.829383 4.799673 5.977685 4.769830 4.169995 3.602179 2.413301 3.440527 3.973255 1.392873 2.794376 3.689045 4.202558 4.051840 0.000000 5.423332 4.072237 6.026760 6.586895 3.740403 6.510839 5.915465 6.422824 7.412354 7.351265 7.091228 7.704612 4.964586 6.239865 4.878534 3.877654 3.757297 2.410030 4.436069 3.590947 2.789644 1.392106 4.897700 4.145100 4.754367 2.415547 0.000000 4.957680 4.582509 5.125465 6.784647 4.518847 5.389690 5.102939 6.803272 7.683837 7.822242 7.177625 7.745841 5.386116 6.507534 5.240395 4.308211 3.754737 2.784172 3.999492 3.654799 2.413968 2.417032 4.155652 3.830155 4.063517 1.393689 1.395092 0.000000 6.054051 9.393786 1.808110 7.020151 7.379168 2.654416 2.654612 9.972499 9.103924 10.229197 9.780885 9.211002 8.829754 7.794760 7.741374 6.784030 5.327393 8.129056 4.803652 4.788245 7.479023 8.141097 3.607934 3.602179 2.835018 6.734619 7.468278 6.723010 0.000000 5.252562 2.656800 10.096489 5.115757 5.026293 10.226277 10.834702 1.091938 3.358669 2.210162 2.212937 3.393181 2.152772 3.895962 3.359987 4.648982 5.827916 4.380207 6.113705 7.024896 5.069272 5.342235 7.451271 8.220282 8.383652 6.441024 6.656707 7.126527 10.885285 0.000000 4.822152 5.629990 9.309686 2.530082 5.219850 9.630168 10.298960 3.368015 1.089964 2.227853 3.414938 2.219044 3.881510 2.122761 3.427612 4.599572 5.418330 6.549894 5.562967 6.566040 6.925734 7.318869 6.769571 7.620706 7.688201 7.950344 8.298797 8.579301 9.364790 4.295866 0.000000 5.573201 4.094446 9.946323 3.671674 4.209554 10.380107 10.663731 2.204385 2.212796 1.091971 3.413693 3.409345 2.708311 2.715425 2.904685 4.071388 5.431480 5.395108 6.035362 6.465204 6.243668 5.967901 7.415479 7.769280 8.162313 7.420333 7.193617 7.836791 10.371140 2.660871 2.685412 0.000000 5.854534 4.787488 10.790611 4.454686 5.718655 11.022284 11.667396 2.177855 2.179648 1.094159 2.726363 2.716302 3.446237 3.450314 3.896619 5.314802 6.493256 6.271976 6.766760 7.699759 6.887460 7.121836 8.112887 8.910077 9.069811 8.163300 8.363498 8.824101 11.187482 2.514777 2.547787 1.775802 0.000000 3.231698 3.324777 8.516939 4.578505 5.433396 8.344874 9.501048 2.204772 3.244011 3.351014 1.091050 2.219405 2.601686 3.569262 3.262038 4.501409 5.028906 4.255436 4.662253 6.407683 4.142409 5.570569 5.796985 7.288162 7.003358 5.385307 6.544483 6.466510 9.276288 2.745314 4.223959 4.242938 3.787607 0.000000 4.809456 4.257235 10.163695 5.269194 6.430039 10.031536 11.160993 2.182313 3.212934 2.908673 1.092375 2.198800 3.415558 4.186328 4.216537 5.657957 6.441965 5.612143 6.222871 7.816160 5.743647 6.846139 7.415764 8.806568 8.608059 7.051809 7.972712 8.061925 10.799761 2.398712 3.999556 3.929451 2.804860 1.759953 0.000000 4.586802 5.615302 9.781386 4.128153 6.517617 9.743460 10.914829 3.186028 2.171104 2.878354 2.192575 1.092368 4.160269 3.420788 4.248346 5.645201 6.264105 6.675135 5.962338 7.616152 6.736124 7.788066 7.083441 8.533779 8.278177 7.870042 8.787232 8.821010 10.028588 3.950134 2.407939 3.905585 2.767718 2.954965 2.333907 0.000000 2.882114 5.008104 8.050455 3.181215 5.574357 7.986341 9.213312 3.249071 2.209209 3.352203 2.221139 1.090247 3.574632 2.632257 3.337293 4.516620 4.816507 5.638372 4.311782 6.179986 5.481919 6.749928 5.360340 6.966109 6.593892 6.459128 7.565136 7.433813 8.344310 4.223997 2.734645 4.253017 3.780399 2.406232 2.946914 1.757405 0.000000 4.918611 5.362736 4.917683 4.488533 2.300879 5.970652 4.989026 6.457410 6.272146 6.690591 7.133243 7.025600 5.031324 4.780755 4.062660 2.568253 2.128580 4.298517 3.370689 1.082008 4.694620 3.728129 3.855812 2.146716 3.372325 4.542094 3.546945 3.983261 5.585108 7.120007 6.783072 6.365596 7.780654 6.913121 8.198969 8.057342 6.768957 0.000000 3.025168 2.887045 6.472539 5.640052 4.793863 6.253756 7.157879 4.431315 5.612715 5.739832 4.294998 5.129958 3.488119 4.960293 3.847044 3.983600 3.884650 2.151772 3.496234 4.871535 1.082172 3.402728 4.233308 5.439173 5.141996 2.153315 3.871799 3.397096 7.762971 4.754027 6.632955 6.176560 6.543578 3.370640 5.026607 6.096676 4.865782 5.468075 0.000000 5.750175 2.908537 7.643687 6.051213 2.858507 8.199041 7.683231 5.198230 6.437599 6.007375 6.253304 6.973145 3.860122 5.470824 4.052191 3.380459 4.101439 2.150952 5.085081 4.274082 3.402510 1.082342 6.002883 5.327094 6.089191 3.876323 2.155010 3.400850 8.843796 5.252198 7.321543 5.656790 6.960699 5.986458 7.053575 7.999408 7.134984 3.908173 4.292450 0.000000 2.763039 6.494723 2.877610 5.229008 5.759852 2.566418 4.186856 7.036292 6.620196 7.632786 6.596614 6.312527 6.028770 5.523198 5.257769 4.763102 3.417610 5.423469 2.154292 3.855727 4.485810 5.971438 1.082043 3.402766 2.147320 4.086244 5.677883 4.764935 3.660312 7.881411 7.166559 8.029757 8.528962 5.907003 7.541301 7.178738 5.422214 4.937227 4.433804 6.851870 0.000000 5.627807 7.207774 2.900932 6.067178 4.715155 4.218944 2.608691 8.410849 8.080857 8.758162 8.761913 8.558821 6.991617 6.574930 6.005994 4.614419 3.427666 5.784418 3.876720 2.156971 5.628023 5.284487 3.402595 1.082603 2.151395 4.889626 4.499707 4.260314 3.645918 9.136853 8.545348 8.602551 9.837319 8.333162 9.839578 9.571281 8.026143 2.497653 6.350992 5.784173 4.290534 0.000000 4.030304 4.913622 4.817944 6.831206 5.601892 4.498251 5.261060 6.716262 7.517465 7.864997 6.611118 7.163023 5.532505 6.524690 5.457566 4.932057 4.143014 3.394804 3.630068 4.512058 2.147683 3.878055 3.549228 4.464138 3.987521 1.083696 3.398802 2.153057 6.431641 7.119450 8.430039 8.170041 8.772562 5.690789 7.416342 8.158922 6.660888 5.234262 2.478278 4.959917 3.673657 5.148228 0.000000 6.358417 4.923928 6.334306 7.206828 4.099383 6.977144 5.984391 7.254905 8.174073 8.078342 8.033144 8.598362 5.785941 6.947236 5.625767 4.487387 4.380056 3.391286 5.206825 3.899057 3.873417 2.145313 5.571131 4.365500 5.184883 3.398325 1.083780 2.153864 7.737240 7.464822 9.007356 7.801523 9.102243 7.548735 8.922902 9.681928 8.482263 3.615251 4.955568 2.478550 6.412184 4.469121 4.295402 0.000000 5.640190 5.666295 4.712348 7.523881 5.312545 4.991413 4.455440 7.847385 8.607258 8.829507 8.168241 8.663084 6.421285 7.369498 6.176335 5.136817 4.373417 3.867855 4.531651 3.999704 3.395251 3.398278 4.365665 3.815419 4.001808 2.150292 2.153012 1.083847 6.403148 8.200455 9.461836 8.834421 9.844978 7.428127 9.064413 9.735547 8.271950 4.345893 4.292160 4.296220 4.912133 4.025869 2.479145 2.482020 0.000000 6.364494 9.424158 2.389623 6.814364 7.033975 3.559430 2.839313 9.985689 9.038258 10.130172 9.940565 9.328541 8.805668 7.668069 7.642053 6.581083 5.207007 8.188407 4.957397 4.478998 7.712754 8.065718 3.954293 3.342894 2.998749 7.017888 7.411148 6.847788 1.089009 10.903126 9.243263 10.164148 11.110839 9.525941 10.991484 10.161464 8.536038 5.119679 8.094062 8.659456 4.264490 3.203002 6.873193 7.569642 6.554065 0.000000 5.511146 9.207164 2.389610 6.498837 7.349210 2.838691 3.559494 9.523821 8.511717 9.730479 9.206126 8.532957 8.498546 7.298727 7.400508 6.620629 5.200585 8.091181 4.493110 4.932512 7.401395 8.272663 3.356945 3.943623 3.000647 6.812661 7.754986 7.000801 1.089019 10.480734 8.720452 9.955228 10.636513 8.729103 10.195031 9.284298 7.614979 5.813623 7.547379 8.986775 3.235739 4.243984 6.479891 8.146801 6.820754 1.802876 0.000000 6.997157 10.377563 2.353361 8.090497 8.429633 2.899121 2.899044 11.010246 10.154527 11.294624 10.769939 10.206320 9.870033 8.866401 8.807361 7.848303 6.377925 9.055663 5.811752 5.799981 8.336962 9.047286 4.547877 4.546483 3.773933 7.496310 8.283761 7.461363 1.090326 11.914900 10.406662 11.454120 12.244207 10.226358 11.771442 11.001919 9.307186 6.568526 8.609848 9.778387 4.456783 4.450099 7.096975 8.510550 7.024329 1.794943 1.795100 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3712,-1.3261,1.4737;2.948,2.1121,.4224;-4.85,-.7338,.2546;1.6577,-2.4937,-1.54;1.0763,.8581,-2.4209;-4.8945,-.8631,1.7156;-5.6364,.2894,-.443;4.4237,-.165,.3323;3.8269,-2.2807,-.516;4.8835,-1.1839,-.7216;4.1987,-1.0489,1.5971;3.8125,-2.4452,1.0335;3.0983,.4347,-.1066;2.4781,-1.7683,-.9989;2.1944,-.3353,-.759;.9486,.1763,-1.4231;-.4407,-.1565,-.93;1.1922,2.5027,.4258;-.7944,-.7775,.2794;-1.4844,.2728,-1.7663;.4052,2.1071,1.5109;.6358,3.2536,-.6128;-2.129,-.9561,.6358;-2.8183,.104,-1.434;-3.122,-.5128,-.2248;-.9512,2.423,1.532;-.7185,3.574,-.5789;-1.5147,3.1511,.4857;-5.2766,-2.3407,-.4562;5.1507,.6294,.5135;4.029,-3.2173,-1.0356;4.8955,-.7731,-1.7333;5.8835,-1.5594,-.4847;3.4302,-.6259,2.2458;5.1237,-1.0997,2.1759;4.5577,-3.1932,1.3134;2.8469,-2.7997,1.3947;-1.207,.7652,-2.689;.8479,1.5392,2.3188;1.2498,3.5432,-1.4558;-2.3885,-1.4017,1.5871;-3.6101,.4685,-2.0761;-1.5671,2.0943,2.3609;-1.1551,4.14,-1.3936;-2.573,3.3847,.4983;-5.1535,-2.2858,-1.5368;-4.6306,-3.098,-.0146;-6.3197,-2.5167,-.192; 0.2648613 0.1033642 0.0891256 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= 776 RedAO= T EigKep= 1.45D-06 NBF= 776 NBsUse= 770 1.00D-06 EigRej= 9.42D-07 NBFU= 770 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= 792 792 792 792 792 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2407.62379425263 -2407.62379425235 0.000000000276 -2407.62379425 2 2.400654610771e+03 -1.260206778742e+04 4.326690452935e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323309675 LenY= 11322660845 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. 14844 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 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 75.88% of shell-pairs survive, threshold= 0.20 IRatSp=76. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 7.59D-14 1.00D-09 XBig12= 4.15D+02 9.35D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 7.59D-14 1.00D-09 XBig12= 1.37D+02 2.10D+00. 144 vectors produced by pass 2 Test12= 7.59D-14 1.00D-09 XBig12= 1.67D+00 1.59D-01. 144 vectors produced by pass 3 Test12= 7.59D-14 1.00D-09 XBig12= 7.93D-03 8.39D-03. 144 vectors produced by pass 4 Test12= 7.59D-14 1.00D-09 XBig12= 2.53D-05 3.11D-04. 142 vectors produced by pass 5 Test12= 7.59D-14 1.00D-09 XBig12= 4.68D-08 1.24D-05. 72 vectors produced by pass 6 Test12= 7.59D-14 1.00D-09 XBig12= 6.85D-11 4.90D-07. 7 vectors produced by pass 7 Test12= 7.59D-14 1.00D-09 XBig12= 9.68D-14 2.30D-08. 1 vectors produced by pass 8 Test12= 7.59D-14 1.00D-09 XBig12= 1.12D-16 1.18D-09. 1 vectors produced by pass 9 Test12= 7.59D-14 1.00D-09 XBig12= 1.15D-16 1.49D-09. 1 vectors produced by pass 10 Test12= 7.59D-14 1.00D-09 XBig12= 6.81D-17 1.06D-09. InvSVY: IOpt=1 It= 1 EMax= 3.20D-14 Solved reduced A of dimension 944 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 308.91 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 386.651 -10.751 285.445 8.268 -11.389 254.627 562.088 -1.497 464.141 18.741 -42.258 495.319 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT87952.200S 2023-04-16T02:04:44.000 -101.57478 -89.06340 -88.88251 -19.13418 -19.12697 -19.12692 -19.11328 -10.29087 -10.27399 -10.26568 -10.24520 -10.23735 -10.22649 -10.22544 -10.22405 -10.22042 -10.21442 -10.21150 -10.20858 -10.19944 -10.19856 -10.19822 -10.19624 -10.19445 -10.19421 -10.19262 -10.18950 -10.18901 -10.18729 -9.49019 -8.12768 -7.96834 -7.25478 -7.24500 -7.24443 -6.09013 -6.08945 -6.08890 -5.93220 -5.92787 -5.92284 -1.12247 -1.07194 -1.04676 -1.01874 -0.92626 -0.89957 -0.88475 -0.87325 -0.83296 -0.81615 -0.79228 -0.78447 -0.77191 -0.77099 -0.76402 -0.73496 -0.72569 -0.69650 -0.65549 -0.64273 -0.63000 -0.62900 -0.61501 -0.60352 -0.58926 -0.57633 -0.55550 -0.53994 -0.53385 -0.51670 -0.51493 -0.49896 -0.49213 -0.48808 -0.48286 -0.47957 -0.47921 -0.47368 -0.46695 -0.46184 -0.45969 -0.45688 -0.44881 -0.44534 -0.44357 -0.44060 -0.43649 -0.42360 -0.40799 -0.40097 -0.39732 -0.39286 -0.38694 -0.38331 -0.37382 -0.37185 -0.36717 -0.36609 -0.35875 -0.35625 -0.35038 -0.34848 -0.34456 -0.33754 -0.33482 -0.31910 -0.31498 -0.30857 -0.29693 -0.28494 -0.28423 -0.27667 -0.27300 -0.25562 -0.24421 -0.09979 -0.06934 -0.05118 -0.04851 -0.03327 -0.01674 -0.01566 -0.00976 -0.00603 0.00055 0.01190 0.01458 0.01856 0.01880 0.02289 0.02684 0.02903 0.03376 0.03463 0.03811 0.04116 0.04322 0.04551 0.05005 0.05036 0.05344 0.05617 0.06216 0.06288 0.06570 0.06760 0.06910 0.07703 0.08071 0.08103 0.08433 0.08813 0.09021 0.09304 0.09372 0.09567 0.09910 0.10407 0.10617 0.10983 0.11093 0.11305 0.11790 0.11980 0.12136 0.12278 0.12646 0.12974 0.13082 0.13363 0.13712 0.13829 0.13896 0.14336 0.14635 0.14793 0.15112 0.15450 0.15645 0.15713 0.15758 0.16296 0.16430 0.16706 0.17001 0.17217 0.17369 0.17755 0.17868 0.18089 0.18334 0.18519 0.18829 0.18965 0.19136 0.19488 0.19561 0.19702 0.20187 0.20267 0.20380 0.20450 0.20839 0.21091 0.21245 0.21597 0.21850 0.22231 0.22417 0.22642 0.22852 0.23110 0.23315 0.23461 0.23753 0.24019 0.24199 0.24318 0.24417 0.24816 0.25004 0.25313 0.25579 0.25804 0.25917 0.26279 0.26358 0.26521 0.26755 0.26900 0.27590 0.27855 0.28043 0.28074 0.28544 0.28823 0.28926 0.29290 0.29330 0.29946 0.30119 0.30371 0.30570 0.30845 0.31362 0.31536 0.31633 0.31950 0.32317 0.32727 0.33234 0.33611 0.33856 0.34042 0.34350 0.34518 0.34713 0.34873 0.35141 0.35763 0.35970 0.36013 0.36194 0.36437 0.37162 0.37622 0.38124 0.38362 0.38695 0.38940 0.39457 0.39704 0.39963 0.40592 0.40804 0.41601 0.41683 0.41997 0.43081 0.43577 0.44165 0.44354 0.44940 0.45300 0.46666 0.46851 0.48294 0.48421 0.48991 0.49379 0.49952 0.50150 0.50442 0.51342 0.51982 0.52223 0.52827 0.53004 0.53947 0.54215 0.54691 0.55289 0.55401 0.56119 0.56949 0.57120 0.57695 0.58979 0.59624 0.60020 0.60822 0.61054 0.61225 0.61706 0.61869 0.62382 0.63146 0.63638 0.63859 0.64094 0.64364 0.64904 0.65504 0.65828 0.66262 0.66319 0.66576 0.66757 0.67450 0.67628 0.68004 0.68199 0.68773 0.69191 0.69493 0.70172 0.70466 0.70657 0.71026 0.71264 0.71610 0.71796 0.71983 0.72599 0.72706 0.72987 0.73220 0.73827 0.74088 0.74439 0.74873 0.75040 0.75606 0.75804 0.76222 0.76993 0.77060 0.77872 0.78430 0.78873 0.79966 0.80601 0.81188 0.81415 0.81951 0.82173 0.82893 0.83459 0.83838 0.84368 0.84942 0.85482 0.85902 0.86271 0.86950 0.87460 0.88304 0.88576 0.89294 0.89601 0.90103 0.90491 0.92909 0.92987 0.93541 0.94569 0.94866 0.95297 0.95983 0.96637 0.97331 0.97851 0.98171 0.99212 0.99892 1.00897 1.01367 1.01960 1.02263 1.02531 1.03707 1.04381 1.04682 1.05651 1.06307 1.06591 1.07583 1.08816 1.09024 1.09578 1.10568 1.11388 1.12555 1.13035 1.13145 1.13895 1.14040 1.15302 1.16063 1.16762 1.17442 1.17701 1.18709 1.19147 1.19311 1.19970 1.20503 1.20848 1.21483 1.22741 1.23229 1.24614 1.24681 1.25752 1.26165 1.27210 1.28341 1.28491 1.29610 1.29785 1.30703 1.31348 1.32329 1.33088 1.33912 1.35143 1.35377 1.36980 1.37685 1.40139 1.40581 1.41124 1.42223 1.43865 1.44608 1.47311 1.48187 1.48921 1.49643 1.50132 1.50947 1.51343 1.52383 1.52452 1.53269 1.53328 1.53863 1.54568 1.55230 1.55523 1.56799 1.58080 1.58413 1.59571 1.60103 1.60548 1.60909 1.61189 1.61882 1.62576 1.62843 1.64010 1.64549 1.65020 1.65517 1.65824 1.67047 1.67505 1.67955 1.68261 1.69234 1.69516 1.70098 1.70992 1.71314 1.72668 1.73394 1.73581 1.74551 1.75291 1.75688 1.76466 1.76802 1.77739 1.78318 1.79209 1.80087 1.80450 1.81376 1.82458 1.83240 1.83523 1.84768 1.85402 1.85609 1.86689 1.87320 1.88021 1.88894 1.89445 1.90099 1.90577 1.91326 1.91709 1.92584 1.92925 1.93605 1.94383 1.94465 1.95357 1.95972 1.96322 1.97138 1.98445 1.99257 1.99559 2.00264 2.00368 2.01488 2.01736 2.02591 2.03387 2.03941 2.04622 2.06081 2.06770 2.07348 2.07889 2.09346 2.09641 2.10366 2.11048 2.13184 2.14000 2.14517 2.17857 2.18317 2.19158 2.20246 2.20522 2.21173 2.22759 2.23760 2.24628 2.27707 2.28017 2.29136 2.29544 2.31421 2.32172 2.32791 2.33825 2.35591 2.36260 2.38233 2.39514 2.40837 2.41593 2.42457 2.44012 2.44804 2.45481 2.46581 2.48889 2.49100 2.49353 2.50232 2.50944 2.51994 2.52750 2.53327 2.54729 2.56844 2.57450 2.58786 2.60455 2.61117 2.61836 2.62275 2.62668 2.64874 2.66657 2.68157 2.69636 2.70096 2.72122 2.73434 2.73915 2.74737 2.75322 2.76398 2.76424 2.77080 2.78135 2.78481 2.79592 2.79988 2.80791 2.80887 2.82573 2.82850 2.83473 2.83545 2.83757 2.84226 2.84571 2.85165 2.85411 2.86796 2.87495 2.87787 2.88891 2.89186 2.89933 2.90678 2.91433 2.91864 2.92597 2.93926 2.94058 2.94620 2.95130 2.96206 2.96874 2.97496 2.98639 2.99362 2.99691 3.01328 3.01621 3.03128 3.03830 3.06127 3.06461 3.08244 3.09999 3.10753 3.12218 3.14532 3.15510 3.17309 3.19611 3.20088 3.21620 3.23715 3.25620 3.26737 3.28336 3.30658 3.32608 3.35167 3.36528 3.37891 3.38858 3.39754 3.42671 3.43258 3.46453 3.51047 3.51736 3.52807 3.55404 3.56392 3.57451 3.58435 3.58583 3.62434 3.63215 3.65848 3.71294 3.71474 3.73144 3.75325 3.78164 3.80045 3.85015 3.88411 3.93950 3.98000 4.01441 4.03650 4.07011 4.08871 4.10363 4.12978 4.13747 4.14326 4.14785 4.20277 4.25801 4.28795 4.30040 4.40421 4.45451 4.81577 4.82561 5.03531 5.04407 5.09972 5.11623 5.13918 5.16215 5.17132 5.26853 5.28068 5.29599 5.78277 5.79459 8.05134 8.15394 9.93656 17.33989 17.41037 17.41236 17.54859 17.55358 17.60051 23.54987 23.61322 23.66482 23.81821 23.83188 23.86746 23.89979 23.90648 23.93748 23.94341 23.95152 23.96706 23.97232 23.97963 24.01082 24.03443 24.06246 24.06592 24.08380 24.14942 24.16621 24.17847 26.14937 26.57600 26.94669 49.87944 49.92326 50.00791 50.07357 189.23890 189.26957 215.95818 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 S O O O O C C C C C C 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 H 0.087793 0.320241 1.081623 -0.252061 -0.132774 -0.144181 -0.135525 0.464936 0.424789 -0.894226 -0.350305 -0.453687 -0.296869 -0.788775 0.468048 -0.106906 0.593942 0.895999 -0.251140 -0.327072 -0.663034 -0.262432 -0.596341 -0.864169 0.498436 -0.272339 -0.508996 -0.003745 -0.681582 0.155594 0.163505 0.157708 0.153613 0.161874 0.151783 0.157010 0.164884 0.158664 0.161727 0.154205 0.182102 0.168765 0.133023 0.136202 0.138548 0.209981 0.210185 0.230978 -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 Cl S S O O O O C C C C C C C C C C C C C C C C C C C C C C 0.087793 0.320241 1.081623 -0.252061 -0.132774 -0.144181 -0.135525 0.620530 0.588293 -0.582906 -0.036648 -0.131793 -0.296869 -0.788775 0.468048 -0.106906 0.593942 0.895999 -0.251140 -0.168408 -0.501306 -0.108227 -0.414240 -0.695403 0.498436 -0.139316 -0.372794 0.134803 -0.030438 -0.00000 1.13352569e+00 -4.56367519e-01 2.10203748e-01 3.86650501e+02 -1.07507807e+01 2.85444886e+02 8.26827643e+00 -1.13885329e+01 2.54627348e+02 -2.0158 0.0014 0.0016 0.0020 3.2898 5.0617 17.3297 24.8355 27.5468 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 17.3150 24.8297 27.5461 48.4769 61.3565 64.8444 78.7525 91.6008 108.8704 111.1952 122.8872 133.0719 139.5084 156.1248 187.5835 192.2625 210.3487 217.6829 227.8902 247.8708 268.9683 281.0006 290.3075 297.2130 308.2603 327.9709 362.7783 417.0226 419.8969 425.9634 429.4706 436.5937 445.7320 466.7726 481.9581 494.6232 517.3326 524.4470 546.7907 571.1398 589.1674 628.0190 628.4933 669.2736 672.7966 700.6250 702.0467 711.8496 720.5079 745.3126 747.7573 764.9900 797.6754 805.2628 817.3310 854.5268 857.5227 880.1548 890.5085 893.5742 901.6305 914.7159 940.7026 952.3271 966.4304 971.1822 975.5921 988.0555 992.7465 1007.1790 1012.9543 1017.4676 1019.3570 1042.6314 1043.6128 1067.5867 1084.2269 1087.1755 1100.0014 1101.4631 1103.3735 1133.4939 1161.4312 1168.8996 1184.9734 1193.9090 1201.2544 1211.1361 1215.7089 1241.6749 1245.8451 1275.9434 1290.3975 1298.0856 1306.3562 1315.6062 1325.6925 1329.7055 1333.6171 1341.7446 1348.4178 1352.0574 1370.5421 1405.8564 1448.4510 1450.2053 1470.8077 1491.6302 1492.9401 1499.1241 1507.8404 1517.0239 1589.8218 1605.0960 1614.7272 1621.9818 1623.6187 1708.3307 1728.7833 3038.4556 3046.8463 3054.0360 3057.2166 3071.0330 3090.2885 3092.8647 3099.8990 3110.5119 3156.7343 3166.2020 3168.4102 3178.1499 3189.4327 3195.4066 3200.6194 3203.0208 3204.9623 3209.2297 7.9196 5.8156 5.5729 6.8998 5.1659 5.5954 5.7424 8.2049 4.6453 4.5767 7.3009 5.0204 7.0261 6.9348 1.7406 1.9754 5.0816 4.0994 2.5257 6.4027 8.5302 6.3663 6.2720 6.1710 6.0026 4.7467 7.1275 3.0638 4.9080 4.9673 6.8781 5.5173 3.9688 4.5933 6.1700 5.4297 5.3810 4.3404 6.8966 6.0319 6.9626 6.2173 6.1246 6.6884 4.7852 5.4784 2.4811 4.6236 5.8416 4.6529 4.5064 1.7867 1.4847 5.1756 5.4242 1.3578 1.5116 3.4550 4.0484 2.7721 2.8865 1.3929 1.3738 2.6522 2.3935 1.3392 1.5275 1.9347 1.3874 1.3821 1.4656 3.4290 3.4963 2.7362 3.2113 3.2257 2.5171 3.2285 2.5724 2.4250 1.6822 3.3163 1.6089 1.4013 1.6315 1.1285 1.4498 1.1442 1.4018 1.9202 1.5413 4.3704 2.0076 2.0069 1.3474 4.0130 8.4835 1.5525 1.4894 1.2072 1.4995 1.7802 1.5376 2.9246 1.0491 1.0499 2.0967 1.0878 2.2168 1.1001 2.0183 1.1041 7.8584 8.9473 5.3723 5.3705 5.9367 12.0595 12.5538 1.0626 1.0649 1.0278 1.0656 1.0836 1.1021 1.1037 1.0876 1.1029 1.1064 1.1085 1.0864 1.0896 1.0940 1.0888 1.0938 1.0964 1.0919 1.0944 0.0014 0.0021 0.0025 0.0096 0.0115 0.0139 0.0210 0.0406 0.0324 0.0333 0.0650 0.0524 0.0806 0.0996 0.0361 0.0430 0.1325 0.1145 0.0773 0.2318 0.3636 0.2962 0.3114 0.3212 0.3361 0.3008 0.5527 0.3139 0.5099 0.5310 0.7475 0.6196 0.4646 0.5896 0.8444 0.7827 0.8485 0.7034 1.2149 1.1593 1.4240 1.4448 1.4254 1.7651 1.2762 1.5844 0.7205 1.3804 1.7867 1.5228 1.4846 0.6160 0.5566 1.9774 2.1349 0.5842 0.6549 1.5770 1.8915 1.3041 1.3826 0.6867 0.7163 1.4172 1.3171 0.7442 0.8566 1.1128 0.8056 0.8261 0.8860 2.0915 2.1405 1.7525 2.0606 2.1661 1.7434 2.2483 1.8339 1.7334 1.2067 2.5104 1.2787 1.1281 1.3498 0.9478 1.2326 0.9889 1.2207 1.7443 1.4095 4.1921 1.9695 1.9924 1.3548 4.0923 8.7844 1.6173 1.5607 1.2804 1.6064 1.9174 1.7017 3.4057 1.2968 1.3010 2.6723 1.4260 2.9112 1.4566 2.7036 1.4971 11.7025 13.5814 8.2530 8.3244 9.2207 20.7360 22.1058 5.7797 5.8248 5.6482 5.8682 6.0211 6.2013 6.2203 6.1579 6.2871 6.4958 6.5474 6.4258 6.4842 6.5569 6.5501 6.6014 6.6271 6.6083 6.6408 1.5681 0.7251 3.8996 0.4347 0.7312 4.2936 1.8044 1.5566 1.2941 0.8521 1.4850 4.2263 1.9059 0.2774 0.5154 0.7000 0.4502 4.0101 0.6836 3.7150 0.5733 0.8502 1.8852 0.3494 2.8943 0.8754 2.1774 0.8713 6.4917 15.8644 5.3078 7.7564 6.9336 23.5808 16.3126 11.2436 50.3039 19.2864 7.5883 7.7744 11.2532 0.8760 1.5889 24.2800 6.0657 13.5257 27.1688 19.4595 99.0948 18.3203 11.6650 31.3294 12.3364 10.6658 25.1277 0.5806 4.4573 35.1619 20.0767 17.2343 14.0407 6.2497 3.5484 2.7058 33.1200 1.2986 41.7150 1.7979 0.2118 2.5129 0.2272 2.9252 7.3949 4.4172 6.8685 22.8940 47.4681 61.7984 10.4080 18.2663 6.9931 155.2400 53.8077 40.8211 3.5365 0.1020 3.5739 3.0836 5.7332 69.9470 49.8107 135.0840 69.0477 177.5384 5.8838 0.2866 3.3619 8.1272 4.1153 10.3667 3.2634 47.6373 14.5226 74.3482 4.7829 8.6220 9.2267 3.9706 15.6475 7.7517 11.1421 10.6402 8.2838 158.1099 2.1505 6.8419 33.9152 272.9773 158.7221 38.0608 12.2333 0.4216 41.6359 27.7039 7.3347 17.6654 16.8536 36.3416 0.1083 0.2401 0.4795 4.8187 5.8263 3.3642 2.4104 2.0719 6.7798 0.2660 0.03 -0.12 -0.07 -0.10 -0.00 0.06 0.03 0.13 0.06 0.15 -0.02 -0.06 0.03 -0.09 -0.05 0.07 0.09 0.06 0.08 0.21 0.12 -0.01 0.06 0.06 0.11 0.05 -0.00 0.07 0.10 0.05 -0.01 0.02 0.04 0.07 0.02 -0.01 -0.02 0.01 0.04 0.10 0.00 -0.03 0.03 -0.01 -0.01 0.03 -0.06 -0.03 0.03 -0.06 -0.03 -0.11 -0.06 -0.00 0.03 -0.07 -0.04 0.03 -0.02 -0.01 -0.14 -0.08 -0.03 -0.09 -0.07 -0.02 0.03 -0.03 -0.02 0.03 0.03 0.01 0.03 0.03 0.01 -0.15 -0.11 -0.08 -0.10 -0.10 -0.07 -0.13 -0.12 -0.10 -0.12 0.19 0.03 -0.05 0.09 0.10 0.17 0.07 -0.02 0.08 0.13 0.06 0.08 0.14 0.08 -0.04 -0.03 0.02 -0.02 0.05 0.06 0.10 0.04 -0.00 0.08 -0.04 -0.04 0.03 -0.01 -0.01 -0.15 -0.07 -0.02 -0.07 -0.05 0.00 0.03 -0.03 -0.02 0.03 0.07 0.03 -0.17 -0.12 -0.10 -0.09 -0.11 -0.08 -0.14 -0.15 -0.13 -0.15 0.21 0.03 -0.16 0.12 -0.02 -0.12 0.25 0.06 -0.03 0.01 -0.01 0.02 0.04 -0.13 -0.01 0.06 -0.05 0.00 -0.04 0.08 0.01 -0.02 -0.01 -0.03 0.14 -0.04 0.01 0.03 -0.11 0.03 0.04 -0.06 0.01 0.00 0.06 0.01 -0.01 -0.02 0.06 0.10 -0.01 0.03 0.08 0.07 0.02 0.02 -0.05 0.00 -0.02 0.05 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.03 -0.00 -0.03 0.01 -0.01 0.00 -0.02 0.01 -0.03 -0.05 0.11 -0.06 0.08 -0.12 -0.07 0.05 -0.02 0.03 -0.03 0.01 -0.02 -0.06 -0.01 0.02 -0.04 0.10 -0.13 0.19 -0.14 -0.14 0.15 -0.03 -0.17 0.22 -0.03 0.03 0.03 0.04 0.05 -0.12 -0.00 -0.03 0.10 -0.01 -0.06 -0.04 0.01 -0.00 -0.02 0.08 0.14 -0.01 0.08 0.12 -0.03 0.03 0.09 0.09 0.04 0.11 0.10 0.03 -0.05 -0.05 0.20 -0.02 0.05 -0.21 -0.05 -0.01 -0.03 0.05 -0.02 0.02 -0.03 -0.07 0.18 -0.15 0.24 -0.23 -0.17 0.18 -0.04 -0.22 0.31 -0.01 -0.03 0.03 -0.04 0.04 0.08 -0.03 0.05 0.03 0.01 -0.00 -0.02 -0.03 -0.03 0.09 0.01 0.02 0.00 0.02 0.03 -0.08 0.01 0.03 -0.00 -0.00 0.30 0.03 -0.02 -0.14 -0.21 -0.02 -0.02 0.03 0.01 0.01 -0.06 0.01 0.02 -0.00 -0.03 -0.06 -0.01 -0.01 -0.05 -0.06 -0.01 -0.01 0.03 0.01 0.02 -0.06 0.01 0.01 -0.02 0.01 0.01 -0.01 0.01 0.00 -0.02 -0.02 -0.02 0.05 0.01 0.01 -0.02 0.01 -0.01 -0.03 -0.05 -0.01 0.03 0.01 -0.01 0.03 0.01 0.02 -0.01 0.01 -0.02 -0.03 0.01 0.01 -0.01 -0.05 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.00 -0.02 0.09 -0.13 0.31 -0.02 -0.02 0.07 0.02 0.03 -0.09 0.02 0.06 0.01 0.01 0.02 0.00 -0.04 -0.09 -0.01 -0.04 -0.08 0.01 -0.01 -0.05 -0.08 -0.02 -0.07 -0.09 0.00 -0.02 -0.03 -0.07 -0.02 0.04 0.03 -0.01 0.05 0.02 0.05 0.00 0.00 -0.04 -0.04 -0.07 0.00 -0.02 0.03 0.00 -0.01 -0.02 0.01 -0.04 0.11 -0.34 0.30 0.12 -0.02 0.47 0.09 -0.13 0.33 0.06 0.24 0.04 -0.04 -0.04 0.06 0.05 -0.01 0.01 -0.00 0.02 -0.10 0.02 -0.04 -0.11 0.07 -0.07 0.00 0.04 0.03 0.07 -0.04 -0.05 0.05 -0.03 -0.02 -0.04 -0.01 -0.03 0.04 -0.12 -0.09 0.01 -0.10 -0.07 -0.05 -0.02 -0.02 0.00 -0.00 0.00 -0.08 0.01 0.00 -0.06 0.02 0.00 -0.07 0.02 0.03 -0.04 -0.04 -0.04 0.05 0.04 0.12 0.01 0.01 -0.07 -0.08 -0.01 0.09 0.12 -0.07 -0.17 -0.02 0.05 0.11 0.02 0.02 -0.07 -0.06 0.04 0.01 -0.01 -0.01 0.08 0.12 -0.08 -0.19 -0.03 -0.05 -0.07 0.04 0.03 0.03 -0.06 -0.04 -0.07 0.11 -0.01 -0.01 -0.06 0.04 0.00 0.05 -0.02 -0.04 0.07 -0.15 -0.10 -0.02 -0.15 -0.11 0.06 -0.11 -0.08 -0.04 -0.12 -0.08 -0.10 -0.00 -0.14 -0.12 0.02 0.20 0.19 -0.10 -0.26 -0.07 0.06 0.17 0.05 0.01 -0.14 -0.09 0.02 0.18 0.18 -0.11 -0.30 -0.09 -0.05 -0.08 0.04 0.01 0.08 -0.06 0.04 0.01 -0.11 0.04 0.01 -0.05 -0.04 0.06 0.09 -0.01 -0.04 0.11 -0.05 0.02 -0.04 -0.01 -0.02 0.08 -0.01 -0.03 0.06 -0.09 0.02 -0.04 0.00 0.05 -0.06 0.07 0.03 -0.10 0.07 0.03 -0.10 0.02 0.07 -0.17 0.24 -0.00 -0.11 0.17 0.01 -0.10 0.01 -0.01 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.05 -0.02 -0.03 0.06 -0.02 -0.04 0.04 -0.00 -0.02 0.06 -0.04 0.01 0.06 -0.00 -0.10 -0.01 -0.04 0.03 0.05 0.04 -0.06 0.01 -0.04 0.01 0.04 -0.01 -0.09 -0.03 -0.03 -0.03 -0.00 -0.04 0.04 -0.01 0.04 -0.05 -0.05 0.00 -0.00 -0.06 -0.09 0.04 -0.05 0.06 0.06 -0.16 0.06 0.05 -0.13 -0.09 0.09 -0.16 0.05 0.10 -0.26 0.32 -0.03 0.01 0.32 -0.02 -0.23 0.16 -0.01 -0.15 0.18 0.04 -0.04 0.01 -0.14 -0.02 -0.07 0.06 0.09 0.06 -0.10 0.02 -0.06 0.05 0.06 0.01 -0.13 -0.06 -0.06 0.08 -0.01 0.06 -0.08 -0.09 0.00 0.00 -0.10 -0.06 0.03 -0.05 -0.14 0.01 -0.03 -0.11 0.08 -0.08 -0.01 -0.04 -0.00 -0.02 -0.02 -0.00 -0.01 0.00 -0.01 0.02 -0.04 0.02 0.02 -0.17 -0.09 -0.10 -0.03 -0.02 -0.08 -0.07 -0.05 0.01 0.00 -0.01 0.04 -0.00 -0.02 0.02 0.02 -0.03 0.06 -0.01 -0.02 0.06 -0.01 -0.02 -0.00 -0.02 0.01 0.02 -0.02 0.00 0.00 -0.03 0.01 0.00 -0.04 -0.01 -0.01 0.10 0.06 -0.03 -0.04 -0.01 -0.01 0.06 0.04 -0.00 0.23 0.12 -0.02 0.03 0.02 -0.04 -0.10 -0.05 -0.01 0.08 0.05 -0.00 0.26 0.14 -0.01 0.16 0.08 -0.01 0.03 0.02 -0.04 -0.10 -0.05 -0.03 -0.03 -0.02 0.22 -0.04 -0.07 0.00 0.02 -0.02 0.05 0.01 -0.03 -0.01 0.03 -0.03 0.03 0.04 -0.05 0.07 -0.02 0.01 0.07 -0.00 -0.04 0.06 -0.01 -0.03 0.06 -0.01 -0.01 0.00 0.27 0.15 -0.01 0.07 0.05 -0.05 -0.15 -0.07 -0.01 0.02 0.02 -0.00 0.32 0.17 -0.00 0.08 0.05 -0.05 -0.15 -0.08 -0.03 -0.03 -0.02 0.29 0.00 -0.06 0.28 0.03 -0.04 0.22 -0.16 -0.15 0.01 -0.03 -0.01 -0.08 -0.04 -0.04 -0.00 0.00 -0.01 0.11 -0.10 -0.04 0.01 -0.11 -0.05 -0.01 0.00 -0.01 0.01 0.01 -0.02 -0.01 0.01 0.01 0.08 -0.01 0.00 0.04 0.03 0.02 0.00 0.01 0.00 0.06 -0.01 0.00 -0.03 -0.05 -0.02 0.07 -0.07 -0.02 0.01 -0.08 -0.03 0.01 -0.09 -0.04 0.00 -0.06 -0.02 -0.08 -0.01 -0.02 0.00 -0.03 -0.00 0.01 -0.06 -0.03 -0.05 0.07 0.04 -0.07 0.03 0.01 0.00 -0.00 0.00 0.01 -0.04 -0.02 0.00 -0.01 -0.00 -0.01 0.24 0.14 -0.02 0.20 0.11 0.01 0.32 0.18 -0.01 0.01 -0.02 -0.05 0.04 0.01 0.13 -0.01 0.01 0.04 0.02 0.02 0.05 0.06 0.03 -0.02 -0.02 -0.01 -0.00 0.04 0.02 0.08 0.02 0.02 0.06 -0.04 -0.02 0.01 -0.09 -0.04 -0.06 0.03 0.01 -0.09 -0.04 -0.03 -0.00 0.01 0.01 0.01 -0.05 -0.02 0.01 0.33 0.19 -0.01 0.25 0.14 0.04 0.48 0.27 -0.00 0.01 -0.02 -0.02 -0.00 -0.01 -0.01 0.02 -0.03 0.05 0.04 -0.09 -0.08 -0.07 0.09 0.08 0.00 0.01 -0.20 -0.12 0.34 0.05 0.07 -0.05 0.17 -0.01 0.01 0.02 -0.01 0.06 0.01 -0.01 -0.10 -0.07 -0.05 0.06 -0.07 -0.07 -0.08 0.10 0.07 -0.04 0.02 0.05 0.07 -0.01 -0.02 -0.05 -0.10 -0.06 0.10 -0.01 -0.01 -0.07 0.02 0.03 -0.08 0.03 0.04 -0.10 -0.08 -0.06 0.05 0.05 0.03 -0.10 0.02 0.06 -0.08 -0.14 -0.08 0.01 -0.02 0.02 0.08 0.06 0.02 -0.08 0.02 0.06 -0.06 0.05 0.04 -0.06 -0.13 -0.02 -0.02 -0.01 0.08 0.05 -0.06 0.06 -0.00 0.11 -0.01 0.02 0.02 0.00 -0.20 -0.12 -0.08 0.11 -0.14 -0.13 -0.10 -0.06 -0.07 -0.12 0.16 0.12 0.01 0.15 0.08 -0.11 0.02 0.04 0.06 0.04 0.09 0.15 0.01 0.08 -0.07 -0.19 -0.13 0.00 0.02 0.04 0.11 0.07 0.01 -0.09 0.01 0.08 -0.03 -0.17 -0.04 -0.06 0.05 0.14 0.06 -0.05 0.10 -0.03 0.03 0.01 0.02 0.17 0.02 -0.03 0.13 -0.06 0.09 -0.04 -0.07 -0.09 0.03 -0.02 0.09 -0.02 -0.03 0.01 0.03 0.06 -0.09 0.00 -0.03 -0.05 0.06 -0.01 0.02 -0.05 -0.02 0.05 0.04 0.03 -0.05 -0.05 0.00 0.09 -0.02 -0.05 0.00 0.10 0.11 0.01 -0.06 0.12 0.11 0.01 0.01 -0.00 -0.01 0.03 -0.00 -0.00 0.03 0.00 -0.01 0.01 -0.02 -0.02 0.02 -0.04 0.04 -0.01 0.06 -0.03 -0.03 -0.06 -0.03 0.05 -0.02 0.04 0.12 0.10 0.05 -0.12 -0.03 -0.03 -0.06 -0.08 -0.03 0.02 -0.03 -0.03 -0.04 -0.06 0.05 0.15 0.08 0.05 -0.12 -0.08 0.05 0.03 -0.01 -0.10 -0.03 0.07 0.05 0.04 -0.14 -0.07 -0.04 0.16 -0.02 -0.11 -0.02 -0.02 -0.06 0.01 0.19 0.20 0.07 0.15 0.07 -0.08 -0.14 0.05 0.16 -0.09 0.24 0.14 -0.03 0.09 -0.00 0.04 0.19 0.16 0.05 -0.23 -0.07 -0.02 -0.10 -0.10 -0.03 0.05 -0.01 0.05 0.27 0.12 0.05 -0.22 -0.15 0.06 0.05 -0.03 -0.19 -0.05 0.06 -0.08 -0.03 0.03 -0.08 -0.00 0.16 0.01 -0.08 -0.03 0.01 0.05 -0.03 0.02 -0.01 -0.01 -0.11 -0.01 0.23 0.01 0.05 0.03 0.03 0.02 -0.01 0.05 0.01 -0.02 -0.04 -0.01 0.07 0.02 0.03 -0.09 -0.01 0.08 0.00 -0.10 -0.11 0.00 0.07 -0.12 -0.11 -0.01 0.03 0.04 -0.03 0.03 0.06 -0.01 0.04 0.03 0.01 0.04 0.02 0.01 0.01 0.01 0.01 0.05 -0.02 0.02 -0.05 -0.02 0.01 0.04 0.02 0.05 0.14 0.04 -0.04 -0.07 -0.08 0.02 -0.08 -0.04 0.01 0.01 0.00 0.02 -0.05 -0.03 0.05 0.13 0.06 -0.04 -0.09 -0.07 0.00 0.02 0.01 -0.07 -0.00 0.02 -0.04 -0.03 0.17 0.02 0.09 -0.19 -0.01 0.16 0.03 -0.00 0.08 -0.02 -0.22 -0.21 -0.07 -0.17 -0.06 0.11 0.19 -0.03 -0.20 0.13 -0.28 -0.12 0.01 0.08 0.04 0.08 0.21 0.08 -0.07 -0.15 -0.13 0.02 -0.13 -0.06 0.01 0.03 0.02 0.08 0.22 0.12 -0.08 -0.19 -0.12 -0.00 0.00 0.02 -0.08 -0.03 0.02 -0.10 -0.03 0.03 -0.07 0.05 0.05 0.07 -0.08 0.03 -0.06 -0.04 -0.05 0.05 0.03 -0.02 -0.01 -0.00 -0.13 -0.02 0.32 0.25 -0.07 0.03 -0.02 0.12 0.04 -0.08 0.01 -0.03 -0.08 -0.08 -0.07 0.04 -0.05 -0.11 -0.04 0.04 0.05 -0.03 -0.08 0.04 0.06 0.01 -0.03 -0.05 -0.04 -0.04 -0.04 0.00 -0.04 -0.03 0.01 0.06 0.08 0.04 -0.04 0.05 -0.08 -0.03 -0.04 0.06 -0.05 0.06 0.05 -0.03 0.06 -0.06 0.07 0.01 -0.09 -0.09 -0.08 0.06 -0.02 0.08 0.05 -0.01 0.07 0.06 0.00 0.08 -0.06 0.11 0.02 -0.09 -0.07 -0.08 -0.07 0.03 -0.03 0.11 0.04 -0.07 0.04 -0.03 -0.15 -0.09 -0.11 0.11 -0.05 -0.17 -0.06 -0.05 -0.12 -0.03 0.11 0.12 0.00 0.08 0.02 -0.09 -0.13 0.00 0.10 -0.10 0.14 0.09 0.05 -0.02 0.07 -0.06 0.12 0.04 -0.11 -0.17 -0.12 0.05 -0.02 0.08 0.05 -0.00 0.09 -0.04 0.20 0.07 -0.09 -0.14 -0.12 -0.07 0.05 -0.02 0.26 0.04 -0.05 0.04 0.03 0.01 0.07 0.05 -0.22 -0.07 -0.09 -0.06 0.02 0.00 0.00 -0.01 0.04 0.04 0.03 -0.02 0.03 -0.00 0.11 0.09 0.03 -0.03 0.03 -0.15 -0.02 0.11 -0.01 0.01 0.03 0.04 0.02 -0.01 0.02 0.04 0.01 -0.01 -0.01 0.01 0.05 -0.02 -0.01 -0.01 0.00 0.02 0.02 -0.00 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.02 -0.07 -0.07 0.03 0.02 0.01 -0.05 0.05 -0.01 -0.02 -0.17 -0.13 0.03 0.03 0.02 0.02 -0.01 -0.01 -0.05 0.22 0.05 -0.02 -0.09 -0.11 -0.04 0.14 0.00 0.03 0.02 0.01 0.02 -0.03 -0.02 0.02 -0.01 -0.01 0.21 0.01 -0.04 -0.02 0.02 0.05 0.05 0.03 -0.03 0.01 0.06 0.02 0.02 0.05 0.01 -0.04 -0.04 -0.00 -0.02 0.01 0.04 0.08 0.01 -0.03 0.06 -0.06 -0.01 -0.00 -0.29 -0.20 0.04 0.05 0.02 0.02 -0.03 -0.02 -0.06 0.33 0.10 -0.01 -0.19 -0.19 0.03 0.04 0.02 0.01 -0.07 -0.04 0.02 -0.03 -0.02 0.15 0.10 -0.04 0.39 0.10 -0.13 0.26 -0.21 0.01 -0.13 0.10 0.07 -0.03 -0.03 -0.09 0.01 -0.02 -0.00 0.11 -0.08 -0.08 0.12 0.15 0.17 0.20 -0.02 0.00 -0.10 -0.04 0.10 0.02 -0.03 0.04 0.07 -0.03 -0.01 0.04 0.00 0.01 0.10 -0.08 0.02 0.07 -0.06 -0.01 -0.00 -0.07 0.05 0.05 -0.07 -0.00 -0.00 -0.09 0.07 0.04 0.03 0.08 0.00 0.07 -0.00 -0.04 -0.02 -0.06 -0.05 0.01 -0.05 0.03 0.16 0.00 -0.02 -0.01 -0.04 -0.06 -0.02 -0.05 -0.05 -0.04 -0.13 0.01 0.14 -0.06 -0.03 0.01 -0.13 -0.02 -0.00 -0.01 -0.06 -0.01 -0.02 -0.04 0.00 0.00 -0.08 -0.04 0.09 -0.00 -0.01 0.04 0.10 -0.01 -0.03 0.02 0.03 0.02 0.05 0.03 -0.01 0.15 -0.11 0.09 0.15 -0.10 -0.06 0.04 -0.09 -0.01 0.05 -0.03 -0.02 0.06 0.24 0.06 -0.00 -0.00 -0.05 -0.08 -0.03 -0.07 -0.09 -0.09 -0.17 0.03 0.22 -0.04 0.00 0.00 0.01 -0.07 -0.00 -0.01 -0.04 0.01 0.03 -0.37 -0.04 0.06 0.08 -0.01 -0.07 0.00 -0.10 0.37 0.08 0.11 -0.11 0.02 -0.08 0.03 -0.10 -0.01 0.02 0.13 -0.19 0.10 -0.07 0.20 0.07 -0.17 -0.01 0.02 -0.07 -0.02 -0.01 -0.00 0.03 -0.01 0.13 0.01 0.02 0.12 0.02 0.07 -0.14 0.08 0.01 0.07 0.02 0.02 0.01 -0.03 -0.11 0.10 -0.07 -0.02 0.04 -0.05 -0.14 -0.02 0.01 -0.05 -0.04 0.00 -0.04 0.04 -0.03 0.03 -0.02 0.00 -0.04 -0.07 0.05 0.02 0.03 -0.01 0.03 0.07 -0.03 0.02 -0.01 -0.02 0.01 -0.07 0.06 0.07 -0.05 0.00 0.05 0.03 -0.01 0.00 0.07 -0.04 -0.01 0.05 -0.04 -0.03 -0.11 -0.01 0.01 -0.05 0.06 0.03 0.17 0.00 0.04 0.20 -0.01 0.06 0.11 0.05 0.17 -0.29 0.06 -0.16 -0.24 0.20 0.19 0.17 0.13 0.06 0.11 -0.11 -0.02 -0.12 0.09 0.03 0.02 -0.00 0.05 0.09 -0.05 0.03 0.03 -0.04 0.01 -0.08 0.10 0.11 0.01 0.00 -0.01 0.08 -0.06 -0.03 0.05 -0.05 -0.06 -0.01 -0.03 0.02 -0.20 -0.04 0.08 -0.14 0.07 -0.09 0.04 0.02 -0.07 -0.00 0.01 -0.02 -0.02 -0.01 0.02 0.00 0.02 -0.02 0.05 0.00 0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.02 0.00 -0.02 0.04 -0.01 -0.01 0.02 -0.02 -0.00 0.01 0.09 -0.06 0.03 0.03 -0.04 0.02 -0.01 -0.02 0.06 -0.01 -0.00 0.03 -0.01 -0.00 0.05 0.01 0.01 0.01 -0.01 0.02 -0.02 -0.01 0.01 -0.02 -0.00 0.03 -0.02 -0.02 0.00 -0.02 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.00 0.03 0.01 -0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 0.00 -0.03 -0.00 0.00 0.00 -0.02 0.03 -0.02 -0.00 0.00 -0.05 0.01 0.02 -0.01 -0.00 -0.02 0.17 -0.07 0.12 0.15 -0.09 -0.07 0.00 -0.07 -0.01 0.02 -0.00 0.04 -0.03 -0.00 -0.03 0.01 0.01 -0.02 -0.03 0.02 -0.02 0.02 0.04 0.01 -0.02 -0.04 -0.02 0.01 -0.01 -0.00 -0.03 0.01 0.01 -0.01 -0.01 0.01 0.47 -0.15 0.05 -0.39 -0.09 0.38 -0.19 0.25 -0.45 -0.08 -0.01 0.08 0.00 -0.01 0.01 0.03 0.00 0.00 0.01 -0.03 0.01 -0.03 0.01 -0.01 0.08 0.00 0.01 0.01 -0.00 0.03 -0.01 0.02 -0.03 0.02 0.02 -0.02 0.02 0.01 -0.01 -0.08 0.05 -0.03 -0.02 0.03 -0.02 -0.00 0.01 -0.05 0.01 -0.00 -0.03 0.00 -0.00 -0.04 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 0.01 -0.01 0.02 -0.01 -0.03 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 -0.01 -0.03 -0.04 0.01 0.03 -0.01 0.00 0.00 -0.03 0.01 0.00 0.00 0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.05 0.00 -0.01 -0.01 0.02 -0.02 0.03 0.01 -0.01 0.04 0.01 -0.01 0.01 0.02 0.02 -0.14 0.06 -0.10 -0.13 0.08 0.05 -0.01 0.06 0.01 -0.02 0.01 -0.04 0.03 0.02 0.01 -0.00 -0.00 0.02 0.03 -0.02 0.01 -0.03 -0.04 -0.05 0.02 0.06 -0.01 -0.00 0.01 0.00 0.03 -0.01 -0.01 0.02 0.00 -0.01 0.56 -0.14 0.04 -0.29 -0.06 0.38 -0.11 0.23 -0.48 -0.02 -0.08 0.02 -0.01 -0.01 0.00 -0.02 -0.04 -0.02 -0.04 0.07 0.07 0.04 0.04 -0.02 0.01 -0.05 -0.01 -0.05 -0.05 -0.01 0.08 -0.00 -0.01 0.02 0.02 -0.03 0.09 -0.04 0.02 -0.04 0.01 -0.02 -0.07 0.03 -0.03 0.11 0.03 -0.05 0.04 0.06 -0.03 0.09 0.06 -0.05 0.06 0.07 0.01 0.05 0.12 0.07 -0.04 -0.15 -0.07 0.02 0.16 0.09 0.05 0.04 0.03 -0.05 -0.15 -0.07 -0.03 -0.14 -0.06 0.01 0.20 0.09 0.04 -0.06 -0.04 0.00 0.03 0.00 -0.02 -0.02 -0.01 0.00 -0.01 -0.00 0.01 0.09 0.05 -0.18 -0.02 0.04 0.10 -0.03 0.02 -0.00 0.01 -0.02 0.18 -0.05 0.02 0.05 -0.09 0.09 -0.06 0.05 -0.07 -0.08 -0.03 0.04 -0.12 -0.01 0.02 -0.11 0.07 -0.09 0.05 -0.00 0.01 -0.07 -0.20 -0.10 -0.04 -0.18 -0.08 -0.00 0.27 0.11 0.05 -0.18 -0.13 -0.02 0.02 0.00 0.02 0.04 0.02 0.05 0.24 0.12 -0.19 -0.09 0.03 -0.29 -0.09 0.08 -0.21 0.16 0.06 0.01 -0.06 -0.00 -0.00 -0.01 -0.01 0.03 -0.03 -0.03 0.03 -0.07 -0.08 0.03 -0.03 -0.00 0.08 -0.03 -0.03 0.04 -0.03 -0.03 -0.04 -0.01 -0.06 -0.02 -0.06 0.03 -0.06 -0.04 -0.05 -0.07 0.05 -0.02 0.12 -0.02 0.03 -0.05 -0.02 -0.03 -0.02 -0.07 0.01 -0.04 -0.06 -0.00 -0.00 -0.00 0.01 0.01 0.09 0.05 0.01 0.12 0.08 0.01 0.13 0.07 0.02 0.06 0.02 0.00 0.12 0.07 0.02 0.13 0.08 0.01 0.16 0.07 0.02 -0.03 -0.03 0.02 0.02 -0.01 -0.03 0.01 -0.00 -0.01 0.01 0.00 -0.05 -0.09 -0.06 -0.12 -0.02 0.02 -0.03 -0.01 -0.10 -0.02 -0.07 0.05 -0.12 -0.07 -0.06 -0.04 -0.00 -0.08 -0.20 0.02 -0.15 -0.14 0.18 0.10 0.29 0.12 -0.03 0.22 -0.19 0.13 0.03 0.03 0.01 0.00 0.15 0.10 0.04 0.18 0.11 -0.01 0.21 0.09 0.02 -0.13 -0.09 -0.04 -0.03 -0.03 -0.01 -0.03 -0.02 -0.08 -0.23 -0.15 -0.16 -0.07 0.02 -0.21 -0.08 0.04 -0.14 0.13 0.07 0.01 0.03 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.02 0.10 -0.08 0.02 -0.01 0.02 0.00 0.01 0.00 -0.02 0.00 0.01 0.00 -0.00 -0.03 -0.05 -0.03 0.05 -0.06 -0.03 -0.03 -0.08 0.05 0.01 0.19 -0.03 0.04 0.02 0.02 0.00 -0.04 0.03 0.06 -0.02 0.02 0.06 -0.01 0.00 0.03 -0.01 -0.01 -0.01 -0.01 -0.09 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 -0.09 -0.03 0.00 -0.09 -0.03 -0.01 -0.03 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.03 0.06 0.03 0.03 0.00 -0.01 0.04 -0.03 -0.05 -0.09 -0.02 0.03 -0.11 -0.04 -0.04 -0.04 -0.04 -0.09 -0.27 0.00 -0.19 -0.20 0.23 0.21 0.46 0.17 -0.10 0.35 -0.31 0.20 -0.00 -0.00 -0.01 -0.03 -0.11 -0.04 0.00 -0.13 -0.04 -0.01 -0.04 -0.02 -0.01 0.02 0.01 -0.01 0.01 0.00 0.04 0.01 0.01 0.05 0.15 0.07 0.05 0.01 -0.00 0.03 0.02 0.00 0.02 -0.02 -0.04 -0.02 -0.00 -0.03 -0.02 -0.08 -0.01 0.09 -0.02 -0.02 0.03 -0.10 -0.03 -0.09 0.03 0.01 0.07 -0.02 -0.02 0.22 0.04 -0.07 -0.13 0.08 0.08 -0.01 0.11 0.01 -0.09 0.20 0.01 0.03 0.03 0.06 -0.01 0.07 0.01 -0.16 -0.05 0.08 -0.07 -0.02 0.00 -0.15 -0.04 0.04 -0.11 0.03 0.01 -0.09 0.09 0.02 0.04 -0.10 -0.06 -0.03 0.09 0.03 -0.08 0.06 0.01 0.07 -0.13 -0.06 0.06 -0.11 -0.07 0.00 0.07 0.06 -0.06 -0.04 -0.01 0.02 -0.03 0.01 0.10 -0.05 -0.00 0.09 -0.03 -0.01 0.13 0.03 0.04 0.02 -0.01 0.01 -0.22 0.16 0.08 0.07 0.14 -0.01 -0.19 0.27 0.04 -0.05 0.25 -0.08 0.11 -0.01 0.18 0.11 0.02 -0.07 -0.04 0.03 -0.01 -0.02 0.09 -0.01 -0.09 0.07 0.01 0.08 -0.16 -0.09 0.06 -0.16 -0.09 0.00 0.10 0.07 -0.10 -0.12 -0.00 0.09 -0.04 0.00 0.08 -0.01 0.01 0.15 0.13 0.10 -0.04 -0.02 0.00 0.04 -0.02 -0.02 0.04 -0.00 0.08 0.19 0.03 -0.06 -0.01 -0.00 -0.02 -0.01 0.03 -0.06 -0.03 -0.03 0.01 -0.02 -0.12 0.15 0.30 0.16 -0.04 -0.29 -0.14 0.00 -0.02 0.05 -0.02 -0.00 0.04 -0.06 -0.03 0.08 -0.04 -0.09 0.06 -0.04 -0.14 0.08 -0.05 -0.03 0.00 0.02 -0.02 -0.02 -0.01 -0.05 -0.06 0.12 -0.05 -0.09 0.16 -0.03 -0.07 0.11 0.01 -0.03 0.02 -0.03 -0.07 0.09 0.04 -0.02 0.06 0.00 -0.03 0.01 0.03 -0.03 0.01 -0.04 -0.04 0.05 0.03 0.01 0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.00 0.04 -0.01 -0.00 0.03 0.01 -0.00 -0.05 0.08 -0.15 -0.03 0.05 -0.01 0.05 0.04 -0.03 -0.06 0.10 -0.03 -0.02 0.09 -0.08 -0.08 0.10 -0.06 -0.11 0.00 -0.01 -0.24 0.03 0.05 -0.21 0.17 -0.15 0.11 -0.01 0.09 -0.01 -0.04 0.01 0.04 -0.05 0.01 -0.11 -0.02 0.04 0.06 0.03 -0.02 -0.01 -0.00 -0.01 0.05 -0.00 -0.01 0.04 0.04 -0.00 0.01 0.21 -0.14 -0.14 -0.03 -0.22 -0.09 0.14 -0.26 -0.02 0.04 -0.09 0.01 0.04 -0.08 -0.00 -0.00 0.02 -0.02 -0.01 0.01 0.25 -0.11 0.14 -0.14 -0.10 0.01 0.14 0.11 0.03 0.04 0.03 -0.07 0.02 0.01 -0.08 0.02 0.02 -0.07 -0.14 0.07 -0.07 -0.14 0.08 -0.08 0.03 0.01 -0.00 0.01 -0.03 0.01 -0.02 -0.07 0.19 0.04 -0.05 0.14 -0.01 0.03 0.00 -0.01 -0.05 0.10 -0.04 0.02 -0.02 0.01 0.01 -0.03 -0.07 -0.02 0.08 0.04 -0.05 0.08 -0.03 -0.01 -0.02 0.00 -0.02 -0.04 -0.01 -0.01 -0.02 -0.07 0.02 -0.00 0.06 -0.01 -0.00 -0.00 0.02 -0.04 0.06 -0.06 0.10 0.06 0.01 -0.04 0.05 0.00 -0.04 0.00 0.03 -0.07 0.02 0.02 -0.09 -0.22 0.14 -0.20 -0.24 0.04 0.07 -0.22 0.05 0.06 -0.20 0.14 -0.18 0.02 0.01 -0.03 -0.13 -0.02 0.12 0.10 -0.08 0.11 -0.02 -0.01 -0.02 0.00 -0.04 -0.04 -0.12 0.05 -0.03 0.12 -0.01 -0.03 0.00 0.03 -0.10 0.08 -0.19 0.10 0.12 0.05 0.21 0.08 -0.12 0.13 0.04 -0.03 0.09 -0.03 -0.04 0.07 -0.04 -0.00 0.01 -0.05 -0.03 -0.04 0.22 0.04 -0.01 -0.13 -0.08 0.00 -0.10 -0.05 0.01 -0.09 0.06 0.01 -0.05 0.04 -0.01 -0.15 0.14 -0.07 -0.05 0.06 0.00 -0.05 0.07 -0.01 -0.09 -0.01 0.05 -0.06 -0.04 -0.01 -0.03 -0.05 0.01 0.10 -0.05 -0.08 0.11 -0.13 -0.12 0.02 0.03 -0.07 0.11 -0.05 -0.06 0.10 -0.06 -0.06 0.08 -0.00 -0.06 0.00 0.02 -0.07 0.09 0.05 -0.03 0.09 0.12 0.03 0.05 0.12 0.03 0.08 -0.03 0.01 -0.00 -0.00 -0.00 0.05 -0.01 0.04 -0.11 -0.00 0.06 -0.11 0.08 -0.00 0.03 0.05 0.00 -0.32 0.20 -0.05 -0.09 0.20 -0.24 -0.04 0.05 0.02 -0.04 0.06 -0.02 -0.06 0.06 0.01 -0.05 0.07 -0.02 0.10 -0.09 -0.08 0.13 -0.01 -0.09 -0.02 0.03 -0.08 0.11 0.06 -0.02 0.10 0.22 0.06 0.12 -0.05 0.02 -0.05 -0.00 0.03 0.05 -0.01 0.08 -0.18 -0.08 0.05 -0.18 -0.05 0.08 -0.12 0.13 0.14 -0.01 0.03 -0.07 0.01 -0.05 0.22 0.02 0.00 -0.01 0.02 -0.01 0.01 0.01 -0.07 0.09 0.02 -0.03 -0.02 0.07 0.06 0.01 0.05 -0.02 -0.07 0.02 -0.04 -0.02 0.04 -0.07 -0.04 -0.06 0.04 -0.05 -0.04 0.02 -0.02 0.04 0.01 -0.02 0.03 -0.02 -0.01 0.01 -0.02 0.06 -0.02 -0.04 0.10 -0.04 0.01 0.05 0.01 0.12 -0.21 -0.06 0.01 0.03 -0.01 0.02 0.01 0.11 0.06 -0.19 -0.12 0.12 -0.17 -0.06 -0.00 0.02 -0.02 -0.02 -0.02 -0.02 -0.01 -0.02 0.10 -0.03 -0.00 -0.15 0.03 0.01 -0.03 -0.02 0.09 0.04 -0.03 0.04 0.09 -0.05 -0.08 -0.00 -0.06 0.01 0.07 -0.11 -0.05 0.03 -0.07 -0.00 -0.13 0.08 -0.16 -0.13 0.05 0.06 -0.05 0.03 0.04 -0.05 0.03 -0.05 0.01 0.02 0.02 0.22 0.05 -0.25 -0.23 0.19 -0.23 -0.08 0.01 0.01 -0.01 -0.04 -0.03 0.23 -0.10 0.06 -0.28 0.04 0.08 -0.04 -0.05 0.21 0.06 -0.10 0.04 0.07 0.03 0.11 0.05 -0.06 0.04 -0.00 -0.04 0.04 -0.02 -0.05 0.01 -0.07 0.00 0.06 0.01 -0.08 -0.02 0.17 0.01 -0.08 -0.09 0.17 0.07 -0.09 -0.01 0.09 -0.02 0.01 0.00 -0.01 0.02 -0.00 -0.03 0.04 -0.02 -0.02 0.03 0.00 -0.00 0.03 0.00 -0.02 -0.04 0.01 -0.03 -0.03 -0.02 -0.01 -0.02 -0.01 0.06 0.13 -0.01 0.05 0.25 0.08 0.00 0.01 -0.03 0.05 0.08 0.00 0.00 0.09 0.04 0.03 0.01 -0.02 -0.01 0.02 -0.02 0.05 -0.12 -0.07 0.00 -0.23 -0.08 -0.00 -0.20 -0.06 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.02 0.00 0.09 0.04 -0.12 -0.03 0.03 -0.01 0.02 0.02 0.01 -0.08 0.05 -0.01 -0.02 0.05 -0.07 -0.04 0.03 -0.02 -0.04 0.04 0.03 0.01 0.04 -0.00 0.01 0.01 0.01 -0.04 0.14 0.05 0.05 0.01 -0.03 -0.02 0.04 -0.03 0.10 -0.17 -0.08 -0.00 -0.38 -0.15 0.04 -0.02 0.01 -0.03 0.01 0.01 -0.00 -0.04 0.01 0.19 0.28 -0.10 0.19 0.05 -0.24 0.10 -0.19 -0.26 0.11 -0.02 0.03 -0.02 -0.02 -0.02 -0.07 0.06 -0.10 -0.01 -0.01 -0.01 -0.12 -0.00 -0.02 -0.03 -0.12 -0.11 -0.10 0.19 0.12 -0.03 0.01 0.03 -0.02 0.02 0.01 -0.02 0.03 0.02 0.03 -0.00 0.03 0.02 0.00 0.02 -0.02 -0.02 0.00 -0.02 -0.00 -0.02 0.00 0.01 -0.06 -0.02 0.03 0.01 0.02 0.04 0.10 0.00 -0.01 0.00 0.01 -0.01 0.07 0.08 0.02 0.03 0.01 -0.00 0.01 0.01 0.00 0.01 -0.03 -0.03 -0.04 0.06 -0.03 -0.09 -0.01 -0.01 -0.11 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.08 -0.09 0.16 -0.04 0.03 0.02 0.00 0.02 0.01 -0.03 0.04 0.02 -0.02 0.03 0.00 0.05 -0.02 0.07 0.06 -0.00 -0.02 0.03 0.00 -0.02 0.03 -0.02 0.04 0.14 0.02 0.06 0.01 -0.00 0.01 0.02 0.00 0.01 -0.11 -0.05 -0.07 0.11 -0.05 -0.17 0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.16 -0.48 0.15 0.16 0.17 0.49 0.10 -0.17 0.18 0.01 -0.00 0.02 0.08 0.26 0.08 -0.01 0.00 -0.01 0.22 -0.23 0.01 -0.04 0.03 -0.03 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.07 -0.04 -0.06 -0.01 -0.11 0.04 -0.15 -0.04 -0.12 -0.04 -0.08 -0.06 -0.08 -0.09 0.02 -0.03 0.12 0.00 0.05 -0.09 0.04 -0.00 0.04 -0.00 -0.00 0.02 -0.03 0.00 0.03 0.00 0.01 0.04 0.06 0.02 0.01 0.00 -0.00 0.02 0.01 -0.05 -0.11 -0.03 -0.02 -0.11 -0.02 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.04 -0.04 -0.03 -0.01 -0.06 -0.03 0.02 0.13 0.06 0.01 -0.01 0.00 0.01 -0.12 -0.06 -0.04 -0.10 0.03 -0.39 -0.07 -0.14 -0.05 0.09 -0.31 0.02 -0.07 -0.00 0.00 -0.09 -0.12 -0.15 -0.13 0.11 -0.13 -0.01 -0.04 -0.01 0.03 0.01 -0.09 -0.18 -0.06 -0.02 -0.19 -0.05 0.01 0.01 -0.01 -0.00 -0.03 -0.02 -0.06 -0.08 -0.06 0.01 -0.10 -0.06 0.05 0.30 0.14 0.02 -0.02 0.00 0.02 0.01 0.02 0.01 -0.02 -0.00 -0.03 0.01 -0.03 -0.04 0.02 0.00 -0.00 -0.01 0.00 -0.01 0.02 0.00 -0.01 0.01 0.01 0.00 0.02 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.02 0.01 -0.03 0.01 -0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.02 -0.01 -0.01 0.04 0.00 -0.04 0.02 -0.02 -0.00 0.02 -0.02 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.03 0.01 0.03 0.06 0.17 0.11 -0.03 -0.17 -0.10 -0.01 0.01 0.02 0.03 -0.01 0.01 -0.00 -0.02 0.00 -0.02 -0.16 -0.08 0.06 0.17 0.08 0.03 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.02 -0.02 0.02 -0.08 0.01 -0.01 -0.00 0.03 -0.07 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.01 0.03 0.03 0.04 0.13 0.40 0.23 -0.08 -0.40 -0.22 -0.01 0.03 0.03 0.04 -0.01 -0.00 -0.08 -0.35 -0.20 0.10 0.37 0.20 0.03 -0.03 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.03 -0.02 0.09 -0.06 0.10 0.09 -0.02 0.01 0.01 0.03 -0.00 0.04 -0.06 -0.00 0.04 -0.00 -0.02 -0.00 -0.06 -0.01 -0.02 -0.02 -0.04 0.02 -0.01 -0.05 -0.02 0.05 -0.04 0.12 -0.07 0.07 0.01 0.03 -0.04 0.01 0.03 -0.05 -0.03 -0.03 0.01 -0.06 0.04 0.02 -0.16 0.01 0.14 -0.09 0.08 0.02 -0.09 0.08 -0.06 0.03 0.03 0.02 0.06 0.03 -0.02 -0.12 -0.04 -0.12 -0.01 0.08 0.02 -0.06 -0.09 -0.04 0.05 -0.03 -0.08 -0.12 0.05 -0.04 0.00 0.07 -0.00 -0.06 -0.07 -0.07 -0.03 0.06 0.04 -0.06 0.04 0.02 -0.00 0.04 0.03 -0.02 0.03 -0.06 -0.09 0.05 -0.06 0.41 -0.14 0.05 0.02 -0.18 0.35 0.00 0.03 -0.05 0.00 0.02 -0.03 0.04 0.04 -0.09 0.03 -0.00 -0.02 -0.12 -0.14 -0.18 -0.02 0.14 0.07 -0.12 -0.21 -0.12 0.03 -0.13 -0.13 -0.17 0.04 0.01 -0.07 -0.20 -0.12 0.00 0.12 0.07 -0.05 0.08 0.04 -0.03 0.00 0.02 -0.03 0.03 0.04 -0.00 0.09 0.06 -0.03 0.02 -0.05 0.16 -0.10 -0.03 0.04 0.01 0.05 0.02 -0.04 -0.01 -0.16 -0.02 -0.01 -0.08 -0.04 0.04 -0.00 -0.08 -0.03 0.07 -0.03 0.07 -0.02 0.05 0.02 -0.08 0.09 -0.09 -0.03 0.01 0.07 -0.02 0.04 0.02 0.07 -0.06 0.04 -0.02 -0.00 -0.00 0.05 0.02 -0.01 0.01 0.06 0.06 0.05 0.06 0.09 0.03 -0.00 0.00 -0.01 0.02 0.02 0.10 -0.06 -0.03 -0.05 0.04 -0.02 -0.06 -0.03 0.02 -0.01 -0.06 -0.07 0.09 0.04 -0.05 0.03 0.08 -0.03 -0.08 0.02 -0.04 -0.08 0.01 0.04 -0.13 0.04 0.00 -0.01 0.07 0.02 0.07 -0.03 0.08 0.01 0.05 0.04 -0.39 0.23 -0.04 0.00 0.11 -0.43 -0.10 0.05 -0.04 -0.11 -0.01 0.20 -0.03 0.03 0.02 -0.03 0.03 -0.00 0.15 -0.18 -0.08 -0.11 0.04 0.01 -0.13 -0.03 -0.02 -0.04 -0.17 -0.13 0.13 0.03 -0.10 -0.05 -0.03 -0.03 -0.03 0.02 0.02 -0.13 0.04 0.00 -0.06 0.13 0.02 -0.07 -0.03 -0.05 -0.02 0.16 0.04 -0.05 0.01 -0.02 0.16 -0.06 -0.01 -0.06 0.04 -0.10 -0.02 -0.01 -0.01 0.18 0.06 -0.07 0.21 -0.02 -0.10 -0.05 0.11 -0.02 0.03 -0.01 0.05 -0.01 0.04 0.00 -0.04 0.07 -0.03 -0.01 0.01 0.05 0.00 0.03 0.02 0.03 -0.04 0.01 -0.01 -0.01 -0.02 0.03 -0.00 -0.05 0.06 0.02 -0.11 -0.01 -0.04 -0.06 0.04 0.03 0.03 -0.03 -0.02 -0.01 -0.11 -0.04 0.09 -0.05 0.03 -0.02 -0.06 -0.03 0.02 0.01 -0.03 0.17 -0.07 -0.09 0.23 -0.04 -0.10 0.18 -0.07 0.00 -0.04 -0.07 -0.00 0.02 -0.11 0.06 0.02 0.02 -0.06 0.01 0.02 0.00 0.05 0.03 0.04 0.02 -0.19 0.15 -0.00 0.00 0.07 -0.21 -0.04 0.03 0.00 -0.04 0.01 0.10 0.00 0.03 0.00 0.00 0.02 0.01 -0.26 0.01 0.07 -0.11 0.01 -0.00 -0.11 -0.05 -0.03 0.12 0.01 0.22 -0.12 -0.08 0.30 -0.05 -0.06 -0.05 -0.03 -0.02 -0.01 -0.10 0.09 0.03 0.07 -0.25 0.01 0.12 0.12 0.19 0.04 -0.17 0.02 0.05 -0.01 0.04 0.13 -0.02 0.00 -0.01 -0.08 0.01 -0.07 0.04 -0.02 -0.05 -0.00 0.05 -0.07 0.16 0.03 0.08 0.05 0.13 -0.01 0.01 0.02 0.01 0.01 -0.02 0.02 0.03 0.03 0.01 0.02 0.02 0.01 0.03 -0.00 -0.01 -0.03 -0.00 -0.01 -0.02 -0.02 -0.01 -0.04 -0.00 -0.02 -0.12 -0.03 -0.01 -0.16 -0.09 0.04 0.06 0.04 0.02 -0.07 -0.05 0.01 0.17 0.04 -0.04 0.01 -0.02 -0.04 -0.04 0.01 -0.00 0.20 0.00 -0.01 0.02 -0.11 -0.01 -0.08 -0.14 -0.06 -0.01 -0.04 -0.05 -0.02 0.01 -0.08 0.07 0.03 -0.02 -0.13 -0.08 -0.04 0.04 0.02 0.06 0.02 -0.00 0.06 0.06 0.04 0.01 0.02 0.06 0.01 0.01 0.03 0.02 0.02 0.00 0.01 0.03 -0.01 0.01 0.02 -0.00 0.06 0.43 0.19 -0.09 -0.03 -0.02 -0.09 -0.08 -0.04 -0.05 0.46 0.11 0.00 0.07 -0.10 -0.05 -0.09 -0.06 -0.03 -0.05 -0.03 -0.06 0.12 0.06 0.03 -0.01 -0.07 0.01 -0.14 -0.14 -0.02 -0.20 -0.14 0.05 -0.03 0.05 -0.04 -0.07 -0.03 -0.01 -0.01 -0.01 0.17 0.07 0.07 -0.03 0.02 -0.03 0.02 0.03 -0.01 0.02 0.03 0.02 0.06 -0.06 -0.02 0.03 -0.00 0.06 -0.04 0.00 -0.14 -0.06 -0.05 -0.01 -0.07 -0.04 0.03 0.05 0.01 0.04 0.08 0.10 0.13 -0.01 0.06 0.08 -0.03 0.03 -0.02 -0.04 -0.02 -0.07 -0.04 -0.11 -0.07 0.03 -0.01 -0.03 -0.09 0.03 -0.03 0.01 0.03 0.02 0.01 0.03 0.01 0.02 0.05 -0.01 -0.09 0.02 -0.01 -0.02 -0.01 -0.02 0.02 0.05 0.03 0.02 0.06 0.03 -0.01 -0.09 -0.05 -0.00 -0.04 -0.02 0.09 -0.09 0.01 -0.10 -0.00 0.01 -0.40 0.04 -0.13 0.06 0.10 -0.46 -0.11 0.02 -0.12 -0.13 -0.06 0.10 -0.17 -0.09 0.14 -0.15 0.05 -0.09 -0.10 0.09 -0.00 0.05 0.12 0.06 0.03 0.11 0.05 0.02 0.10 0.01 -0.11 0.03 0.03 0.04 0.14 0.08 0.03 0.15 0.08 -0.03 -0.18 -0.10 0.02 -0.04 -0.02 0.02 -0.02 -0.01 -0.00 -0.08 -0.03 0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.02 -0.08 -0.03 -0.00 -0.03 -0.01 0.01 0.00 -0.00 0.01 0.18 -0.02 0.06 0.08 0.14 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.01 0.01 0.04 0.03 -0.00 -0.00 -0.00 -0.01 0.20 0.11 0.02 -0.20 -0.10 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.02 -0.06 -0.03 0.01 0.18 0.09 -0.01 0.05 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.05 -0.21 -0.09 0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.01 -0.03 0.02 -0.01 0.01 0.02 -0.50 -0.25 0.00 -0.02 -0.01 0.01 0.01 0.00 -0.02 -0.32 -0.15 0.02 0.30 0.14 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.02 -0.16 -0.09 -0.02 -0.19 -0.10 -0.05 -0.24 -0.12 -0.10 0.04 -0.07 0.00 -0.01 0.00 0.08 -0.01 -0.07 0.11 -0.11 -0.00 -0.09 -0.01 -0.04 -0.10 0.08 -0.09 -0.11 -0.00 0.16 0.03 -0.00 -0.04 -0.10 0.09 -0.03 0.04 -0.07 0.03 0.00 0.01 -0.04 -0.01 0.02 -0.07 -0.01 -0.00 0.04 -0.09 0.07 0.07 -0.14 0.05 0.15 -0.03 0.08 0.03 0.07 -0.05 -0.04 -0.02 -0.07 -0.04 0.07 -0.08 -0.08 0.10 0.04 0.03 0.00 0.01 -0.00 -0.00 0.01 0.00 0.12 0.02 0.11 0.16 -0.07 0.09 0.14 -0.04 0.08 0.01 0.03 0.02 0.00 0.03 0.02 -0.02 -0.04 -0.02 -0.02 -0.03 -0.00 0.02 0.00 -0.06 -0.22 0.10 -0.08 0.29 -0.13 0.01 -0.06 -0.22 0.25 -0.01 0.01 -0.06 -0.02 -0.01 -0.02 0.06 0.04 -0.18 0.05 -0.05 0.00 0.06 0.15 0.08 0.01 0.07 0.03 0.01 0.06 0.03 0.19 0.13 0.18 0.12 -0.08 0.12 0.02 0.10 0.06 0.02 0.09 0.05 -0.02 -0.07 -0.04 -0.11 -0.18 -0.02 -0.09 -0.07 0.04 -0.02 0.13 0.11 -0.04 0.00 -0.02 0.01 -0.10 -0.03 0.05 0.01 -0.03 0.05 0.22 0.08 -0.02 0.01 0.03 -0.06 0.02 -0.04 -0.06 -0.02 0.06 -0.17 -0.01 -0.10 0.14 -0.09 0.06 0.02 -0.00 -0.02 -0.04 -0.02 -0.09 -0.01 -0.07 0.04 -0.14 -0.00 -0.02 0.14 0.07 0.10 -0.05 -0.03 0.00 -0.03 -0.06 -0.02 0.00 0.07 0.01 0.05 0.18 0.10 0.03 0.08 0.02 0.02 -0.00 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.06 -0.06 0.01 0.05 -0.02 0.03 0.07 -0.02 0.03 -0.02 -0.07 -0.04 -0.02 -0.08 -0.04 0.01 0.11 0.06 0.00 0.03 0.02 -0.20 0.02 -0.08 0.07 -0.07 0.01 -0.05 -0.11 -0.07 0.09 0.23 0.04 0.04 -0.03 0.01 0.05 0.05 -0.22 -0.13 -0.11 0.24 -0.11 0.05 -0.08 -0.00 -0.07 -0.07 -0.05 -0.15 -0.09 -0.05 -0.14 -0.08 0.09 -0.15 -0.02 0.02 -0.06 0.05 -0.06 -0.24 -0.14 -0.06 -0.24 -0.13 0.03 0.19 0.11 -0.05 -0.05 0.01 -0.04 -0.00 0.04 0.00 0.13 0.08 -0.01 -0.02 0.03 -0.04 0.07 0.01 0.12 0.01 -0.07 -0.16 0.00 -0.05 -0.09 -0.02 0.04 -0.10 0.04 -0.10 -0.09 -0.03 0.12 0.14 -0.02 0.08 0.09 -0.08 -0.03 0.04 0.03 -0.05 0.00 0.03 0.09 0.01 0.05 0.04 0.07 -0.05 0.07 0.02 -0.14 -0.10 0.09 -0.09 0.01 -0.02 -0.04 0.02 -0.08 0.08 -0.07 -0.02 0.01 0.00 0.05 0.05 -0.05 -0.15 0.05 -0.08 0.01 -0.01 0.01 0.01 0.01 -0.01 0.10 -0.03 0.00 -0.11 -0.03 0.02 0.07 -0.02 0.05 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.03 -0.00 0.00 0.01 0.05 0.03 0.15 -0.02 0.06 0.24 -0.11 0.08 -0.16 0.15 -0.01 0.10 0.05 -0.29 -0.11 0.07 -0.08 -0.11 0.01 0.27 -0.05 0.02 0.13 -0.03 0.10 -0.03 -0.22 0.03 -0.11 0.03 -0.01 -0.00 0.03 0.00 0.00 0.14 -0.07 -0.01 -0.22 -0.11 0.10 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.03 0.00 0.01 -0.11 -0.11 0.00 -0.09 -0.02 0.06 0.01 0.26 0.16 0.00 0.00 0.00 -0.12 -0.04 -0.04 -0.05 -0.00 0.02 0.04 -0.05 0.00 -0.06 -0.00 -0.04 0.05 -0.01 0.03 0.03 0.03 -0.04 0.17 -0.04 0.04 -0.05 0.05 -0.02 0.04 -0.05 -0.06 0.00 0.01 0.05 -0.01 0.05 -0.03 0.06 -0.07 0.10 -0.03 0.03 0.00 0.01 0.02 0.06 0.02 0.07 0.02 0.03 -0.02 -0.02 0.01 0.24 0.12 0.02 -0.05 -0.05 0.02 -0.00 0.01 0.02 -0.00 0.03 0.02 0.04 -0.03 0.01 0.04 -0.01 0.01 -0.00 0.01 -0.02 0.02 0.01 0.00 -0.11 -0.03 -0.00 -0.09 -0.08 0.10 0.12 0.08 -0.01 -0.04 -0.02 0.17 -0.04 0.01 -0.12 0.03 0.00 -0.03 0.02 -0.04 0.02 -0.17 -0.19 -0.13 0.07 -0.14 -0.14 -0.04 0.27 0.00 0.04 -0.09 0.00 0.02 -0.01 -0.00 0.04 0.02 0.02 -0.19 -0.10 0.01 -0.17 -0.10 0.03 0.09 0.02 0.03 0.01 -0.01 -0.08 -0.32 -0.17 -0.11 -0.33 -0.20 0.11 0.18 0.12 0.03 -0.00 -0.01 0.03 0.00 -0.01 -0.01 -0.13 -0.06 0.04 0.01 0.01 -0.03 -0.05 -0.02 0.17 -0.02 -0.05 0.09 -0.05 0.02 0.21 -0.02 -0.01 -0.11 0.07 -0.07 0.00 -0.06 0.14 0.01 0.01 0.03 -0.12 0.09 0.04 -0.07 0.02 0.02 0.02 -0.06 0.03 -0.01 -0.03 0.01 0.08 0.06 -0.16 -0.02 0.09 -0.02 0.06 0.09 -0.15 0.01 0.06 0.01 -0.10 -0.01 0.09 0.01 0.08 0.04 -0.15 -0.19 0.05 -0.07 -0.01 0.04 0.00 0.01 0.02 0.00 0.01 -0.00 -0.17 -0.02 0.06 -0.11 -0.01 -0.08 -0.05 0.13 -0.00 -0.01 -0.04 -0.01 -0.00 -0.03 -0.02 0.03 0.04 0.03 0.01 0.03 0.01 0.04 -0.03 0.07 -0.17 0.11 -0.01 -0.13 0.04 0.02 -0.08 -0.06 -0.07 0.07 -0.06 0.10 0.06 -0.08 -0.04 0.07 -0.02 -0.16 0.05 -0.12 0.09 0.01 -0.02 0.06 0.00 -0.04 -0.02 -0.00 -0.06 -0.03 -0.31 0.04 0.06 -0.11 -0.10 -0.13 -0.03 -0.12 -0.06 -0.03 -0.10 -0.06 0.03 0.06 0.04 -0.15 -0.06 -0.01 -0.16 -0.14 -0.03 -0.01 0.33 0.16 0.00 0.02 0.01 0.02 0.02 0.00 -0.02 -0.00 0.01 -0.05 0.04 0.00 -0.02 0.00 -0.05 0.04 0.04 0.02 0.05 0.05 0.00 -0.06 -0.01 -0.03 0.11 -0.09 -0.01 0.03 -0.01 -0.02 -0.01 0.03 -0.02 0.02 0.00 0.03 -0.08 -0.04 0.10 0.04 -0.05 -0.04 -0.01 -0.02 0.01 0.00 0.12 0.04 0.01 0.15 0.09 0.00 -0.03 -0.02 0.01 -0.31 -0.15 0.01 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.01 -0.09 -0.05 -0.02 0.34 0.17 0.00 0.02 0.00 0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.07 -0.20 -0.08 -0.09 0.01 -0.06 0.15 -0.11 0.03 0.01 -0.03 -0.03 0.07 0.12 0.02 -0.02 0.03 -0.03 -0.01 0.08 -0.02 -0.04 -0.01 0.17 -0.03 0.07 -0.04 0.01 -0.12 -0.05 0.00 0.04 0.02 -0.00 0.02 0.01 0.01 -0.03 -0.03 0.03 -0.44 -0.27 0.02 0.06 0.03 0.02 0.05 0.03 -0.01 -0.02 -0.02 -0.09 -0.20 -0.09 -0.09 -0.21 -0.08 -0.07 -0.14 -0.05 0.03 0.00 -0.02 0.02 0.05 -0.01 0.06 -0.02 -0.01 -0.00 0.02 0.05 0.07 0.11 -0.13 -0.05 0.01 -0.02 0.01 -0.05 0.04 -0.02 -0.10 -0.04 0.07 -0.06 -0.08 0.06 -0.13 -0.08 -0.01 0.09 0.01 0.02 0.11 -0.02 -0.19 -0.16 0.40 0.07 0.03 -0.09 -0.03 0.02 0.00 0.03 0.08 -0.14 0.00 -0.10 0.05 0.00 -0.03 -0.02 -0.12 0.00 0.13 0.03 -0.07 0.09 0.00 -0.02 -0.01 -0.00 -0.01 0.00 -0.16 -0.00 0.04 -0.01 0.05 -0.01 -0.07 -0.07 -0.10 0.01 0.02 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 0.04 0.09 0.04 -0.08 -0.02 -0.19 -0.02 -0.15 0.04 0.12 -0.12 -0.08 0.06 -0.07 0.01 -0.14 0.13 -0.17 -0.12 0.13 0.19 0.01 0.12 0.05 0.01 0.11 -0.05 0.09 -0.01 0.14 0.00 0.02 0.01 -0.00 0.03 0.02 -0.27 0.06 0.05 0.06 0.21 -0.01 0.03 0.08 0.04 0.01 0.05 0.03 -0.01 -0.01 -0.00 -0.00 0.09 0.03 -0.02 0.02 0.00 0.03 0.17 0.06 0.01 0.00 -0.01 -0.01 -0.00 0.03 0.01 -0.01 -0.00 -0.07 0.00 -0.07 -0.00 0.06 -0.11 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.05 0.03 -0.01 0.10 -0.03 0.04 0.10 0.08 -0.00 -0.01 -0.03 -0.03 0.00 -0.06 0.04 0.06 0.02 -0.12 -0.10 -0.10 0.12 -0.10 -0.04 0.13 0.01 0.09 -0.07 0.02 -0.03 0.02 -0.02 -0.04 0.10 -0.05 -0.03 0.03 0.03 -0.04 0.04 0.16 -0.12 0.14 -0.19 -0.03 0.14 -0.07 0.01 0.02 0.02 0.02 0.00 -0.03 -0.02 -0.03 0.21 0.04 -0.16 -0.17 0.13 -0.17 0.02 0.05 -0.09 0.01 0.02 0.01 0.01 0.04 0.10 0.16 0.02 -0.01 0.01 0.07 -0.01 0.13 0.13 -0.07 -0.03 -0.02 -0.07 -0.03 -0.01 0.01 -0.15 -0.15 0.23 -0.11 0.10 -0.08 0.05 -0.01 0.07 0.05 -0.14 0.18 -0.08 -0.08 0.20 -0.10 0.06 0.04 0.06 0.08 -0.01 0.10 0.09 -0.22 -0.07 0.13 -0.22 -0.01 -0.09 0.18 0.00 0.03 0.01 -0.00 0.01 -0.00 0.01 0.04 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.08 -0.00 0.09 0.00 -0.08 0.13 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.06 -0.04 0.01 -0.12 0.03 -0.05 -0.12 -0.09 0.01 0.01 0.04 0.04 -0.00 0.08 -0.05 -0.07 -0.02 0.14 0.12 0.12 -0.15 0.12 0.04 -0.16 -0.01 -0.10 0.09 -0.02 0.03 -0.03 -0.00 -0.05 0.08 0.05 0.03 -0.04 -0.04 0.05 -0.06 0.13 -0.10 0.10 -0.16 -0.03 0.12 0.08 -0.01 -0.02 -0.02 -0.02 -0.00 0.04 0.02 0.04 0.17 0.05 -0.14 -0.14 0.11 -0.12 -0.00 0.04 -0.08 -0.01 -0.03 -0.01 -0.02 -0.05 -0.12 -0.19 -0.02 0.02 -0.02 -0.08 0.01 -0.16 -0.15 0.08 0.04 0.02 0.09 0.04 0.01 -0.02 0.18 0.17 -0.27 0.13 -0.12 0.10 -0.06 0.02 -0.08 0.03 -0.11 0.15 -0.08 -0.06 0.17 0.13 -0.06 -0.03 -0.07 -0.09 0.02 0.11 0.10 -0.16 -0.04 0.12 -0.17 -0.03 -0.09 0.14 -0.00 -0.04 -0.01 0.01 -0.01 0.00 -0.01 -0.06 -0.02 -0.02 0.02 -0.03 0.00 -0.03 -0.01 0.03 -0.03 -0.03 0.03 0.00 -0.01 -0.06 0.01 0.00 -0.00 0.02 -0.05 0.02 -0.01 0.04 -0.00 0.09 -0.00 -0.06 -0.03 -0.01 -0.09 0.02 0.07 -0.01 0.03 -0.11 -0.02 0.00 -0.08 0.03 0.04 0.08 -0.00 -0.05 0.11 0.10 -0.04 0.07 0.12 -0.05 -0.03 0.16 -0.03 0.08 0.01 -0.00 0.00 0.16 0.04 -0.02 -0.12 -0.14 0.34 0.00 0.00 -0.00 -0.00 0.00 0.01 0.09 0.11 -0.27 -0.22 -0.03 0.01 -0.16 0.07 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.03 0.07 0.02 0.06 0.04 -0.02 0.00 0.02 -0.07 0.09 -0.06 0.04 -0.15 -0.05 0.24 0.04 -0.00 -0.03 0.02 -0.03 -0.16 0.04 0.06 -0.10 0.02 -0.04 -0.01 -0.15 -0.19 0.30 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.14 0.00 -0.30 -0.06 -0.05 -0.20 0.00 -0.03 -0.02 -0.00 -0.04 -0.02 -0.01 -0.01 -0.00 -0.02 0.01 0.02 -0.01 0.04 0.04 0.03 0.15 0.08 -0.01 0.00 -0.00 -0.00 -0.03 -0.01 -0.02 -0.04 -0.02 -0.03 -0.03 0.01 0.00 -0.09 -0.01 0.00 0.01 -0.02 0.00 -0.00 0.01 -0.08 0.02 -0.03 0.06 -0.08 0.01 -0.03 0.01 0.03 -0.02 0.01 -0.03 0.02 -0.05 0.06 0.01 0.03 0.01 0.03 -0.01 -0.13 0.04 0.08 -0.02 0.00 0.26 0.23 0.01 0.04 0.02 0.01 -0.00 -0.00 0.05 -0.14 -0.09 -0.03 -0.13 -0.05 0.00 0.01 -0.00 0.00 0.01 0.00 0.05 0.14 0.02 -0.04 0.12 0.07 -0.01 -0.17 -0.08 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.02 0.09 0.04 -0.05 -0.01 -0.02 0.14 -0.07 0.03 -0.07 -0.03 0.01 0.02 0.17 0.05 0.05 -0.01 0.06 0.06 0.06 -0.15 0.02 -0.01 0.13 0.01 -0.03 0.05 -0.04 -0.07 -0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.06 0.48 0.18 -0.04 0.41 0.24 -0.00 -0.02 -0.01 -0.00 -0.03 -0.02 -0.00 0.01 0.00 0.06 0.10 0.04 0.06 0.12 0.04 0.03 0.02 0.01 -0.03 0.02 -0.03 0.04 0.04 0.02 -0.00 0.01 0.00 -0.01 0.01 0.02 0.07 -0.02 0.04 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.03 -0.15 -0.00 0.04 0.09 -0.01 0.13 -0.03 -0.11 0.01 -0.05 0.17 0.02 0.03 0.10 -0.05 -0.05 -0.15 -0.01 0.10 -0.10 -0.16 0.01 -0.05 -0.12 -0.02 0.01 0.02 -0.03 0.08 -0.07 0.10 0.04 0.13 -0.02 0.04 -0.01 -0.08 0.15 -0.05 -0.10 0.03 -0.03 -0.02 -0.10 0.11 0.06 -0.10 -0.05 0.01 -0.01 0.01 0.01 -0.03 -0.01 0.05 0.12 0.01 0.13 -0.02 0.08 -0.09 -0.04 -0.00 -0.01 -0.01 -0.13 -0.07 0.02 -0.10 0.01 0.08 -0.06 0.09 -0.07 0.19 0.01 -0.29 -0.02 -0.00 0.11 0.01 0.03 0.19 -0.03 -0.05 0.04 -0.01 0.03 0.01 0.07 -0.10 0.17 -0.02 -0.26 -0.10 -0.01 -0.24 -0.16 0.09 0.06 -0.11 0.02 0.05 -0.08 -0.11 0.06 0.05 -0.11 0.07 0.00 0.03 -0.28 -0.15 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.00 0.01 0.02 -0.02 -0.01 -0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.03 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 0.01 0.05 0.00 -0.02 -0.03 0.00 -0.05 0.01 0.04 -0.00 0.02 -0.06 -0.01 -0.01 -0.04 0.02 0.02 0.05 0.00 -0.03 0.04 0.06 -0.01 0.02 0.05 0.01 -0.00 -0.01 0.02 -0.03 -0.02 0.11 0.06 -0.05 -0.00 -0.03 0.01 0.03 -0.06 -0.04 -0.09 -0.01 -0.03 -0.05 -0.08 -0.04 -0.02 0.04 0.02 -0.00 0.01 -0.01 -0.00 0.01 0.01 0.11 0.10 0.02 0.14 0.04 0.03 -0.08 -0.04 0.01 0.02 0.01 0.04 0.02 -0.01 0.03 0.00 -0.03 0.02 -0.03 0.02 -0.07 -0.00 0.11 0.01 0.00 -0.04 -0.00 -0.01 -0.07 0.01 0.02 -0.02 0.00 -0.01 -0.00 -0.03 0.01 -0.08 -0.09 -0.43 -0.22 -0.09 -0.42 -0.25 -0.03 -0.01 0.04 -0.01 -0.03 0.02 -0.08 -0.09 -0.04 -0.08 -0.08 -0.06 -0.06 -0.48 -0.27 0.01 0.03 0.01 0.01 0.02 0.01 0.01 0.02 0.01 -0.01 0.00 -0.01 -0.11 0.03 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 0.02 0.01 0.04 -0.01 -0.03 0.01 -0.02 0.04 0.00 -0.01 0.03 -0.01 -0.00 -0.03 -0.01 0.02 -0.02 -0.03 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.01 0.02 0.23 0.01 0.03 0.03 -0.01 0.01 -0.00 -0.02 0.03 0.07 0.04 -0.18 0.04 -0.13 0.14 0.02 0.01 -0.02 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.10 0.15 -0.13 0.06 -0.04 0.21 -0.22 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.01 0.02 -0.01 -0.00 -0.03 0.05 -0.02 -0.09 -0.03 -0.01 -0.01 -0.02 -0.00 0.09 -0.02 -0.04 0.02 -0.01 0.01 0.01 0.02 -0.02 0.03 -0.16 -0.20 -0.23 -0.19 -0.30 -0.08 0.02 0.01 -0.02 0.01 0.01 -0.02 0.27 -0.16 -0.13 0.25 -0.23 -0.03 -0.28 -0.27 -0.18 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 -0.02 -0.01 0.12 0.20 0.07 -0.02 -0.03 -0.01 0.02 -0.01 -0.03 -0.04 -0.08 0.09 -0.10 0.01 -0.08 0.00 0.05 -0.02 0.02 -0.05 0.02 -0.03 0.02 0.04 -0.01 0.01 -0.07 -0.00 -0.04 0.02 0.02 0.03 0.06 -0.00 -0.02 -0.04 0.04 0.05 0.01 0.02 0.11 0.05 -0.02 -0.13 -0.02 -0.00 0.02 0.01 0.03 0.08 0.10 -0.05 -0.03 0.06 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 -0.03 -0.01 -0.08 -0.02 -0.06 0.06 -0.06 -0.07 0.00 0.01 0.01 0.00 0.02 0.01 0.00 -0.01 -0.00 -0.07 -0.30 -0.14 0.03 0.02 -0.00 0.09 -0.02 -0.01 -0.02 -0.04 0.01 -0.01 0.08 0.08 0.01 0.00 -0.05 -0.00 0.02 -0.08 -0.00 -0.02 0.08 -0.01 -0.02 0.03 0.01 0.27 0.23 -0.02 -0.07 -0.04 -0.02 -0.08 -0.05 -0.05 0.05 0.01 -0.10 0.27 0.12 -0.01 -0.04 -0.02 -0.02 -0.04 -0.03 -0.01 -0.08 -0.04 -0.14 -0.37 -0.15 -0.13 -0.36 -0.14 -0.07 -0.16 -0.06 -0.01 0.01 -0.01 -0.00 0.02 0.01 0.03 0.06 0.02 0.04 0.05 -0.01 -0.00 0.04 0.01 -0.02 -0.03 0.03 -0.04 0.00 -0.03 0.05 0.00 0.02 -0.05 0.04 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.05 -0.08 -0.02 -0.05 -0.00 -0.01 -0.03 0.16 0.03 -0.10 -0.05 0.01 -0.15 -0.11 -0.02 0.24 0.15 0.01 0.04 0.02 0.02 -0.19 -0.05 -0.02 -0.08 -0.03 -0.00 -0.02 -0.02 -0.00 -0.03 -0.01 0.02 0.07 0.05 -0.03 0.13 0.03 0.04 -0.17 -0.10 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.02 -0.02 -0.07 -0.03 0.02 0.04 0.00 -0.09 0.05 -0.02 0.06 0.01 0.01 -0.06 -0.14 0.01 -0.04 -0.01 -0.06 -0.05 -0.06 0.08 -0.02 0.02 -0.13 -0.01 0.04 -0.07 0.01 -0.45 -0.22 0.01 0.06 0.03 0.02 0.06 0.03 -0.03 0.41 0.20 -0.05 0.11 0.05 0.04 0.16 0.09 0.04 0.15 0.09 0.02 0.12 0.07 -0.01 -0.07 -0.03 -0.01 -0.07 -0.03 -0.02 -0.08 -0.04 0.01 -0.00 0.00 -0.01 -0.02 0.00 0.02 0.02 0.01 0.03 0.04 0.03 -0.03 0.04 -0.06 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.12 -0.09 0.11 0.05 -0.13 -0.18 -0.12 -0.12 0.02 -0.01 0.09 0.19 0.03 0.17 -0.12 0.09 0.08 -0.17 0.09 -0.04 -0.00 -0.05 -0.04 0.18 0.02 0.03 -0.04 0.01 0.01 -0.00 -0.00 -0.03 -0.02 -0.03 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.03 0.01 0.01 0.02 0.02 -0.03 -0.00 0.01 0.01 0.00 0.01 -0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.03 0.02 -0.00 -0.03 -0.01 0.03 -0.18 -0.07 0.07 -0.19 -0.05 -0.12 0.11 0.11 -0.09 -0.08 -0.05 0.18 0.02 0.46 0.18 -0.05 -0.12 0.12 0.26 -0.12 0.08 -0.01 -0.15 -0.01 -0.00 0.01 -0.02 -0.08 -0.04 -0.02 -0.07 -0.03 -0.04 0.04 0.03 0.02 0.04 0.02 -0.03 -0.18 -0.10 -0.03 -0.17 -0.09 -0.04 -0.14 -0.08 -0.02 -0.03 -0.01 -0.02 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.02 -0.02 -0.02 -0.02 0.01 -0.00 0.01 0.02 0.00 0.01 -0.02 0.01 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 0.03 0.01 0.04 0.02 0.01 -0.02 -0.02 0.05 0.14 0.08 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.02 -0.07 -0.05 -0.02 -0.08 -0.04 -0.01 -0.01 -0.01 0.00 -0.02 0.00 -0.01 0.02 0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.03 -0.09 -0.05 0.00 0.00 0.00 0.02 -0.01 -0.01 0.02 -0.03 -0.01 -0.03 0.00 0.02 -0.02 -0.01 -0.01 0.02 -0.00 0.05 0.02 -0.01 -0.01 0.01 0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.08 0.04 0.03 0.13 0.06 0.04 0.13 0.07 0.00 -0.03 -0.02 0.01 0.02 0.02 0.13 0.48 0.27 0.13 0.48 0.28 0.08 0.41 0.23 -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 -0.01 -0.00 -0.01 -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 -0.00 -0.00 0.02 0.00 0.01 -0.03 -0.06 -0.09 -0.01 0.03 0.08 0.01 0.06 0.08 -0.02 -0.03 -0.01 0.04 -0.01 -0.01 -0.00 0.03 0.00 0.03 -0.03 -0.02 0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 0.01 -0.02 0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.05 0.01 -0.18 0.04 0.03 -0.16 0.07 -0.02 0.03 -0.14 -0.05 0.16 -0.26 -0.15 -0.24 -0.12 0.24 0.40 -0.31 -0.34 0.15 -0.14 0.43 -0.15 0.03 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.01 0.04 -0.02 0.03 -0.00 0.02 0.01 0.04 0.03 0.00 0.02 0.01 -0.05 -0.04 -0.07 0.05 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.16 -0.13 -0.01 0.01 0.07 -0.03 0.11 -0.00 -0.13 -0.02 -0.02 0.07 0.06 0.10 -0.02 -0.03 -0.06 -0.02 -0.13 -0.04 0.23 0.08 0.01 -0.16 0.12 0.06 0.14 0.08 0.01 -0.08 0.00 -0.01 -0.01 -0.09 0.08 -0.13 0.01 -0.01 -0.03 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.08 0.03 -0.06 0.03 -0.08 0.08 -0.15 -0.02 0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.04 -0.02 -0.26 -0.05 0.07 -0.22 0.00 0.01 0.31 0.07 -0.09 0.04 -0.06 0.08 -0.06 -0.10 0.07 0.02 0.12 0.02 -0.16 -0.07 0.10 -0.07 0.28 -0.20 -0.18 0.23 0.05 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.06 0.05 -0.02 0.07 0.17 0.17 0.00 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.07 -0.08 -0.03 -0.07 -0.10 -0.02 0.01 0.10 0.05 -0.04 0.02 -0.03 -0.01 0.01 0.00 -0.06 -0.05 -0.01 0.02 0.02 -0.05 0.05 -0.01 -0.02 0.02 0.01 0.00 0.00 0.02 -0.00 -0.03 -0.05 0.08 0.04 -0.07 0.01 0.06 -0.02 -0.01 -0.06 0.04 -0.06 0.00 0.12 -0.13 0.01 -0.05 0.04 -0.09 -0.09 0.25 0.09 0.04 -0.15 -0.05 0.10 0.05 -0.10 -0.10 0.05 0.00 0.01 0.00 0.11 -0.05 0.17 -0.05 0.01 -0.04 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.12 -0.05 0.08 -0.09 0.03 -0.15 0.19 0.08 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.05 0.03 -0.07 -0.04 0.19 -0.06 -0.12 0.07 -0.01 0.10 0.04 0.08 -0.01 -0.09 0.16 0.06 0.18 0.08 -0.16 -0.29 0.09 0.26 0.01 0.05 -0.03 -0.17 0.19 0.21 0.14 0.01 0.03 0.01 -0.01 -0.03 -0.01 -0.04 -0.14 0.00 -0.20 0.12 0.02 0.01 0.03 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.08 0.10 0.04 0.08 0.14 0.04 -0.00 -0.11 -0.05 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.01 -0.02 0.02 -0.00 -0.02 -0.01 0.00 0.01 0.01 0.00 0.02 0.01 0.04 0.02 -0.03 0.00 0.00 0.01 0.04 0.01 0.01 -0.00 0.00 0.00 -0.03 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.05 0.02 -0.01 -0.05 -0.03 0.02 0.06 0.03 -0.00 -0.01 0.00 -0.01 0.05 0.02 0.00 -0.03 -0.01 -0.01 -0.05 -0.03 0.01 0.05 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.04 -0.02 -0.02 -0.01 0.05 0.01 -0.02 0.02 0.02 0.01 0.02 -0.00 0.04 0.02 0.02 -0.04 -0.01 0.00 0.06 -0.00 0.02 -0.00 -0.01 -0.28 -0.16 0.09 0.35 0.20 -0.10 -0.36 -0.20 -0.01 0.01 0.01 -0.01 -0.35 -0.19 0.09 0.36 0.21 -0.08 -0.33 -0.19 0.00 0.03 0.01 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.01 -0.00 0.01 0.03 0.02 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.03 0.01 -0.01 -0.01 0.02 0.03 -0.03 0.00 0.04 0.02 -0.00 -0.01 -0.02 -0.00 -0.03 -0.01 -0.06 -0.03 0.04 -0.01 -0.00 -0.02 -0.06 -0.01 -0.02 0.01 -0.00 -0.00 0.04 0.02 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.06 -0.03 -0.01 -0.04 -0.02 0.01 0.05 0.03 -0.00 0.01 -0.01 0.02 -0.08 -0.03 -0.01 0.04 0.02 -0.01 -0.04 -0.02 0.01 0.04 0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.04 -0.06 0.04 0.04 0.01 -0.07 -0.02 0.03 -0.03 -0.03 -0.02 -0.03 0.00 -0.06 -0.03 -0.03 0.06 0.01 -0.00 -0.09 0.01 -0.03 0.01 0.01 0.39 0.21 0.08 0.28 0.16 -0.08 -0.28 -0.15 0.01 0.00 -0.01 0.03 0.48 0.27 0.06 0.25 0.15 -0.07 -0.28 -0.16 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.04 0.02 -0.01 0.00 -0.01 0.00 -0.03 -0.01 -0.01 -0.02 -0.00 -0.01 -0.04 -0.02 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.04 0.07 -0.11 -0.01 0.04 -0.11 0.05 0.02 -0.17 -0.04 -0.00 0.19 -0.04 -0.09 0.13 0.00 0.14 0.07 -0.03 -0.01 0.01 0.08 0.03 0.07 0.10 -0.07 -0.05 0.01 0.06 0.05 -0.00 0.01 0.00 0.02 -0.03 0.03 -0.02 -0.03 -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 0.06 -0.06 -0.02 -0.08 0.06 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.03 -0.12 -0.05 0.03 -0.13 0.43 -0.11 -0.22 -0.07 -0.04 0.23 0.09 0.08 0.30 0.07 -0.01 0.01 0.04 -0.05 0.05 -0.03 -0.25 0.03 0.03 0.23 0.11 -0.00 0.00 0.01 -0.01 -0.03 -0.02 -0.04 -0.05 0.03 -0.12 0.36 0.20 0.01 0.03 0.01 0.00 -0.00 0.00 0.00 0.03 0.02 0.03 0.03 0.01 0.03 0.05 0.01 -0.00 -0.05 -0.02 0.01 -0.00 0.01 0.02 -0.05 -0.02 0.00 0.01 0.00 -0.03 -0.05 -0.03 0.04 -0.01 0.04 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.07 0.20 0.08 0.04 -0.14 0.09 0.10 -0.11 -0.03 -0.01 -0.02 0.07 0.01 0.04 -0.15 -0.12 0.21 0.05 -0.06 -0.00 0.00 -0.04 0.13 -0.06 -0.10 -0.07 -0.02 -0.02 0.05 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.03 -0.03 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.03 -0.05 0.06 -0.05 0.04 -0.05 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.08 0.20 0.11 -0.09 -0.26 0.24 -0.23 -0.27 -0.11 0.22 0.02 -0.29 -0.02 -0.21 0.18 -0.03 -0.24 0.10 -0.01 0.05 -0.05 0.01 -0.01 -0.21 -0.01 0.08 0.05 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.05 0.03 -0.04 0.11 0.16 0.10 -0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 -0.04 -0.02 -0.01 -0.04 -0.05 -0.01 0.01 0.07 0.03 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 0.00 0.00 0.01 0.05 0.00 0.00 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.12 -0.11 0.04 0.05 0.05 -0.04 -0.01 -0.01 0.00 0.01 0.18 -0.08 -0.07 -0.09 -0.05 -0.09 -0.03 0.04 -0.06 0.06 -0.00 -0.09 -0.06 -0.01 0.12 0.07 0.00 -0.07 -0.04 0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.00 0.03 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.04 0.03 -0.00 -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 -0.00 0.03 0.22 -0.40 0.15 0.09 0.00 -0.03 -0.26 -0.11 -0.06 -0.04 0.05 0.04 0.07 0.19 -0.01 -0.20 0.18 0.06 0.01 -0.24 -0.02 -0.35 -0.20 -0.01 -0.15 -0.08 0.01 0.02 0.01 0.01 0.04 0.02 -0.00 0.02 0.01 0.00 -0.31 -0.18 -0.01 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.04 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.03 -0.01 -0.01 0.03 -0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.07 -0.03 0.03 0.03 -0.08 -0.15 0.00 0.01 0.07 0.00 0.20 0.01 -0.06 -0.17 0.04 -0.00 -0.04 0.03 -0.07 0.03 0.08 -0.02 0.07 -0.09 -0.09 -0.03 -0.01 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.05 0.05 -0.03 0.04 -0.04 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.10 -0.01 -0.14 0.00 0.09 -0.49 -0.10 0.27 0.17 0.06 0.03 -0.14 0.20 0.43 0.10 0.09 0.08 -0.12 0.06 0.01 0.22 -0.04 -0.27 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.04 0.04 -0.03 0.09 0.05 0.04 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.02 -0.01 -0.03 -0.04 -0.01 0.01 0.06 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.05 0.03 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.15 -0.07 -0.00 -0.01 -0.00 0.01 0.05 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.06 -0.03 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.03 0.89 0.41 -0.00 0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.01 -0.02 -0.01 0.01 0.01 0.06 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.02 -0.01 0.01 0.00 -0.01 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 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.02 0.04 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.08 -0.05 -0.03 -0.08 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.02 0.00 0.02 0.08 0.04 -0.00 0.00 -0.00 -0.02 0.02 0.04 -0.06 -0.03 -0.01 0.02 0.02 -0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 0.00 0.02 0.04 -0.00 0.01 -0.00 0.13 0.50 0.27 0.13 0.47 0.26 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.03 -0.09 -0.05 -0.02 -0.10 -0.06 -0.10 -0.45 -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.04 -0.04 -0.03 0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.12 -0.09 0.17 0.15 0.09 -0.11 -0.04 0.06 -0.06 -0.03 0.00 0.05 0.04 -0.02 0.05 0.03 0.06 -0.07 0.01 -0.00 0.00 0.09 -0.00 -0.03 -0.06 -0.04 -0.02 0.02 0.01 0.00 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 0.01 -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 0.00 0.02 0.01 0.01 -0.00 -0.00 0.21 -0.28 -0.24 0.48 0.26 0.04 -0.11 -0.19 0.01 -0.11 0.01 0.13 0.10 0.08 0.12 0.04 -0.13 -0.18 0.02 0.08 0.15 -0.03 -0.06 -0.35 0.00 -0.01 -0.01 0.03 0.11 0.06 0.03 0.11 0.06 0.01 0.01 -0.01 0.03 0.08 0.05 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.02 -0.09 -0.05 -0.02 -0.01 -0.01 -0.02 -0.03 -0.00 0.01 0.05 0.02 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.03 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.05 0.03 0.02 0.01 0.06 0.07 0.06 -0.11 0.05 -0.02 0.12 0.01 0.05 -0.10 -0.09 0.02 -0.05 -0.01 -0.05 0.08 -0.05 -0.00 -0.03 0.03 0.14 -0.03 0.00 0.07 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.05 -0.07 0.01 -0.05 0.03 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.01 0.00 -0.16 0.13 0.01 -0.12 0.13 -0.10 -0.41 -0.13 0.04 0.19 0.01 -0.35 0.01 -0.04 0.14 0.09 0.27 -0.15 -0.13 -0.23 0.04 -0.09 0.08 -0.26 -0.03 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.01 0.06 -0.11 0.07 0.03 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.11 0.01 0.02 0.12 0.19 0.05 -0.03 -0.26 -0.09 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.05 -0.02 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.07 0.13 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.02 0.00 -0.00 0.01 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.02 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 0.68 0.17 -0.10 -0.48 -0.40 -0.09 0.04 -0.26 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.03 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.05 -0.01 0.06 -0.03 -0.02 0.02 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.00 -0.01 0.02 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.01 -0.02 0.01 0.03 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.03 -0.02 0.01 -0.02 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.14 -0.01 -0.04 -0.05 0.05 0.04 -0.04 0.03 -0.02 -0.06 -0.04 -0.01 0.03 -0.02 -0.06 -0.00 -0.03 0.05 0.03 0.07 -0.05 -0.04 -0.06 0.02 -0.02 0.03 -0.05 0.02 -0.04 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.08 -0.01 -0.04 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.31 -0.17 -0.09 -0.29 -0.36 -0.02 0.10 0.68 0.29 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.04 -0.12 -0.08 -0.01 -0.06 0.05 0.06 0.08 0.08 0.09 0.01 0.04 -0.08 0.00 -0.08 -0.01 0.05 -0.00 -0.03 0.01 0.01 -0.00 0.06 0.02 0.06 -0.03 -0.00 0.03 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.03 -0.03 -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.03 -0.11 -0.39 -0.12 -0.16 0.18 -0.11 0.20 0.13 0.22 0.50 0.06 -0.06 0.12 -0.21 -0.06 0.00 0.28 0.06 0.04 -0.32 0.04 -0.15 0.08 -0.01 -0.07 -0.05 0.00 0.00 0.01 0.01 0.02 0.01 -0.00 -0.03 0.02 -0.05 0.08 0.04 0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 -0.02 -0.03 -0.00 0.01 0.05 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.03 0.03 0.08 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.08 0.04 -0.02 -0.08 -0.05 -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 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.11 0.40 0.24 -0.10 -0.41 -0.23 -0.00 0.01 0.00 0.00 0.00 0.00 -0.10 -0.42 -0.24 0.10 0.44 0.25 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.03 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.12 -0.06 0.01 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.02 0.00 -0.01 0.10 0.04 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 0.01 -0.03 -0.02 0.01 0.01 0.01 -0.03 0.01 0.01 0.02 0.01 -0.02 -0.00 0.03 -0.02 0.00 0.02 0.01 0.00 -0.01 -0.03 -0.00 -0.02 -0.00 0.02 0.66 0.36 -0.00 -0.03 0.00 0.00 -0.02 -0.02 0.01 0.06 0.04 0.00 -0.52 -0.31 0.01 0.05 0.02 0.01 0.04 0.03 -0.03 -0.06 -0.04 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 -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 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.01 -0.07 -0.05 -0.04 0.04 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 0.07 0.05 0.01 0.07 0.03 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 0.01 0.00 0.00 0.00 0.01 0.03 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 0.10 0.05 0.02 0.22 0.05 -0.01 0.14 0.14 -0.00 0.02 0.01 0.00 -0.07 -0.04 -0.11 -0.42 -0.24 -0.10 -0.39 -0.23 0.19 0.51 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 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.02 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.02 0.04 -0.06 -0.03 -0.08 0.03 -0.00 0.05 -0.01 -0.05 -0.01 0.04 0.05 0.00 -0.04 0.13 -0.11 0.03 -0.03 0.06 -0.03 0.02 0.02 0.02 -0.04 -0.03 -0.03 -0.04 0.01 0.01 0.05 -0.00 0.01 0.01 -0.01 0.02 0.00 -0.01 -0.01 -0.09 0.12 -0.15 -0.11 -0.04 0.17 0.00 0.01 -0.03 0.03 -0.00 0.03 -0.01 -0.00 0.00 -0.03 -0.04 0.01 -0.03 -0.03 -0.05 0.22 -0.00 0.02 -0.00 -0.00 -0.00 -0.02 0.06 -0.12 -0.22 -0.15 0.10 0.08 0.04 -0.02 0.04 0.29 0.18 -0.00 -0.13 0.18 0.04 0.02 -0.11 -0.06 -0.05 0.09 -0.02 0.09 -0.12 -0.00 0.08 0.04 -0.13 0.03 -0.20 -0.17 -0.19 0.08 -0.01 0.03 -0.03 0.04 -0.05 -0.01 0.02 0.21 0.13 0.01 0.27 0.14 0.16 -0.33 -0.16 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 0.03 -0.07 0.07 0.05 0.10 -0.04 0.01 -0.07 0.02 0.07 0.01 -0.06 -0.06 -0.01 0.05 -0.18 0.16 -0.03 0.03 -0.08 0.03 -0.03 -0.01 -0.03 0.07 0.03 0.04 0.06 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.01 0.01 -0.07 0.09 -0.12 -0.10 -0.03 0.14 -0.01 -0.02 0.05 -0.04 0.01 -0.04 0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.18 -0.02 0.01 0.00 0.00 0.00 0.04 -0.09 0.15 0.30 0.20 -0.12 -0.12 -0.05 0.02 -0.04 -0.36 -0.24 -0.00 0.18 -0.25 -0.06 -0.02 0.16 0.08 0.07 -0.13 0.03 -0.13 0.16 0.00 -0.07 -0.03 -0.11 0.06 -0.13 -0.16 -0.14 0.06 0.01 -0.04 0.05 -0.06 0.04 -0.01 -0.01 0.11 0.02 0.01 0.13 0.11 0.16 -0.17 -0.09 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 0.00 -0.00 0.01 0.01 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.07 -0.09 0.09 -0.03 0.05 0.13 0.00 0.04 -0.12 0.07 0.15 -0.00 -0.03 -0.12 -0.10 0.04 0.05 0.01 0.06 -0.06 -0.03 0.04 -0.00 0.04 -0.06 0.01 -0.01 -0.08 -0.01 0.02 -0.02 0.01 0.00 0.03 -0.03 0.05 0.00 0.02 -0.03 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.04 -0.07 0.05 -0.03 0.05 -0.02 -0.00 0.00 0.01 0.01 -0.03 0.01 -0.02 0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.12 0.31 0.05 -0.04 0.32 0.27 -0.06 -0.15 -0.13 -0.15 0.17 0.04 0.29 -0.13 0.06 0.32 0.03 -0.07 -0.22 -0.25 -0.07 -0.17 -0.25 -0.02 -0.01 -0.05 -0.03 0.00 0.02 -0.03 0.03 -0.01 -0.05 0.04 -0.09 0.05 -0.02 0.07 -0.02 0.03 -0.05 -0.03 -0.02 0.05 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.01 0.02 -0.02 -0.00 -0.02 -0.02 -0.00 0.00 0.02 -0.02 -0.02 0.01 0.02 0.02 0.01 0.00 -0.02 0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.15 0.04 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.03 0.06 -0.04 0.04 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.09 0.11 -0.22 0.05 -0.14 0.22 0.12 -0.03 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.06 -0.05 -0.01 -0.04 -0.03 0.03 0.03 0.02 0.04 -0.01 -0.00 -0.06 0.06 -0.00 -0.06 -0.03 -0.00 0.02 0.07 0.01 0.05 0.01 -0.00 -0.00 -0.00 -0.29 -0.00 0.20 -0.26 0.19 -0.16 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.18 0.24 -0.39 -0.26 -0.18 0.38 0.14 -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 -0.02 -0.00 -0.00 -0.00 -0.01 0.03 0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.00 0.00 -0.07 0.04 -0.05 0.03 -0.07 0.03 -0.05 0.01 0.06 -0.08 0.06 -0.07 0.07 0.02 -0.05 0.00 -0.05 0.04 0.05 0.02 0.02 0.02 -0.01 -0.02 0.04 0.07 -0.02 0.03 0.03 0.01 -0.01 -0.06 -0.03 0.05 0.00 0.00 0.00 0.12 -0.09 0.19 -0.00 0.07 -0.14 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.12 0.05 -0.05 0.10 -0.09 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.12 0.08 -0.07 0.07 0.15 -0.21 -0.36 -0.15 0.03 0.19 0.09 -0.25 -0.10 -0.20 -0.05 -0.00 0.14 0.05 0.02 0.01 -0.20 0.05 0.06 0.33 -0.12 0.10 -0.17 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.23 0.07 -0.18 -0.08 -0.13 0.22 0.01 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.03 -0.04 -0.01 -0.03 -0.04 -0.01 0.00 0.02 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.03 0.05 0.04 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.11 0.06 -0.08 0.04 0.10 -0.04 -0.02 -0.06 -0.00 0.04 0.00 0.04 0.01 -0.07 0.01 -0.00 0.09 -0.02 -0.01 -0.11 0.06 -0.01 0.03 -0.00 -0.03 -0.03 -0.06 -0.01 0.04 0.02 0.02 0.05 -0.01 0.01 -0.04 0.01 -0.01 0.07 -0.03 0.06 0.01 0.04 -0.07 0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.04 0.01 -0.02 -0.08 -0.02 0.03 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.01 0.28 -0.16 -0.24 -0.25 -0.10 0.15 0.17 0.47 0.19 -0.06 -0.16 -0.03 0.09 0.02 0.19 0.02 -0.16 -0.16 -0.08 -0.10 0.21 -0.05 0.07 -0.29 0.04 0.02 -0.07 0.08 -0.00 -0.05 0.03 -0.03 0.04 0.04 -0.02 0.04 -0.05 0.01 -0.02 0.05 -0.03 0.03 0.09 0.00 -0.04 -0.01 0.02 -0.02 -0.05 -0.06 -0.02 -0.05 -0.07 -0.02 0.01 0.04 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.06 -0.07 -0.06 -0.01 0.01 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.18 -0.10 0.12 -0.07 0.04 -0.03 -0.05 -0.06 0.04 0.01 0.04 0.01 0.04 -0.07 0.01 0.01 0.06 -0.01 0.01 -0.07 0.07 0.02 0.04 -0.03 -0.00 0.03 -0.07 0.01 0.01 0.03 0.01 -0.05 -0.01 -0.00 -0.04 0.01 -0.00 -0.02 -0.02 0.03 -0.03 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.02 0.05 -0.09 0.06 -0.05 0.09 0.08 0.03 -0.03 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 0.01 0.21 -0.14 -0.25 -0.20 -0.03 0.08 -0.01 0.39 0.20 0.04 -0.11 -0.15 0.02 -0.11 0.19 0.05 0.02 -0.17 -0.09 -0.15 0.01 -0.03 0.12 -0.11 -0.23 0.02 -0.04 0.06 0.01 -0.05 0.04 -0.03 0.04 -0.31 0.06 -0.17 -0.05 -0.12 0.20 0.05 -0.03 0.03 0.07 -0.00 -0.03 -0.01 0.00 -0.00 0.09 0.10 0.03 0.08 0.11 0.02 -0.01 -0.06 -0.02 -0.00 0.00 -0.01 -0.03 0.01 0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.02 0.02 -0.01 0.03 -0.01 0.03 0.01 -0.03 0.02 -0.02 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.04 -0.00 -0.02 -0.02 0.03 -0.02 -0.04 0.01 -0.01 0.06 -0.01 0.01 0.06 -0.00 0.01 0.27 -0.06 -0.03 0.05 -0.03 0.06 -0.00 0.03 -0.06 0.03 -0.05 0.08 -0.03 0.04 -0.04 -0.03 0.01 -0.02 -0.02 -0.01 0.02 -0.03 -0.00 0.01 -0.09 0.00 0.04 -0.05 0.01 0.00 0.05 0.00 -0.03 -0.01 0.00 0.00 0.03 0.00 0.00 -0.02 -0.04 0.02 0.10 0.03 -0.01 -0.06 -0.02 0.07 0.04 0.11 -0.04 -0.04 -0.15 0.05 0.02 0.07 0.15 -0.01 -0.05 -0.12 -0.12 0.07 -0.07 -0.16 -0.08 0.18 -0.40 0.23 -0.26 -0.15 0.01 -0.04 -0.10 -0.06 0.09 -0.42 0.17 -0.13 -0.26 0.01 0.11 0.07 0.08 -0.16 0.02 0.02 0.01 0.02 0.02 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 -0.00 -0.02 0.02 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.02 0.00 0.00 -0.05 0.03 -0.04 0.02 -0.02 -0.01 -0.07 -0.05 0.07 -0.02 0.06 -0.02 0.05 -0.04 0.01 0.01 0.01 -0.01 0.02 0.01 0.06 0.05 0.05 -0.08 0.02 0.08 -0.03 0.02 -0.08 0.02 -0.01 -0.09 -0.00 -0.01 0.15 -0.04 0.01 -0.07 0.04 -0.08 0.00 -0.03 0.08 -0.02 -0.01 0.03 0.02 0.02 -0.04 0.04 -0.01 0.02 0.03 0.01 -0.02 0.04 0.00 -0.01 -0.03 0.01 0.00 -0.05 0.02 -0.02 0.03 -0.01 0.01 0.01 -0.00 -0.00 0.09 -0.09 -0.15 -0.04 0.03 0.06 -0.14 0.22 0.14 0.09 -0.09 -0.22 -0.06 -0.23 0.15 0.08 0.25 -0.16 -0.08 -0.20 -0.26 -0.00 0.12 0.12 0.18 -0.10 0.10 -0.24 -0.01 0.15 -0.08 0.08 -0.10 0.22 -0.02 0.06 0.15 0.09 -0.13 -0.14 0.06 -0.06 -0.24 0.01 0.08 0.02 -0.05 0.07 -0.03 -0.03 -0.01 -0.03 -0.03 -0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 0.00 -0.02 0.00 -0.00 -0.03 -0.00 -0.00 -0.03 0.04 -0.05 -0.02 0.01 -0.02 -0.00 -0.01 0.02 0.10 -0.04 0.03 -0.11 -0.00 0.05 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.06 -0.02 0.05 0.06 -0.05 0.05 -0.00 0.04 -0.08 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.04 -0.00 0.01 0.03 0.02 -0.03 -0.02 -0.05 0.02 0.02 0.06 -0.02 -0.01 -0.03 -0.06 0.00 0.02 0.04 0.05 -0.02 0.03 0.49 -0.03 -0.17 -0.37 0.13 -0.08 0.06 -0.01 0.01 0.04 0.02 -0.03 -0.22 0.07 -0.03 0.34 -0.03 -0.07 0.04 0.26 -0.49 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.08 0.04 0.04 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.10 0.07 -0.08 0.05 0.01 -0.00 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.02 0.00 -0.02 -0.02 0.03 -0.01 -0.01 -0.01 -0.00 0.06 0.00 0.01 0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.10 0.02 -0.04 -0.07 -0.05 0.08 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.04 -0.07 0.05 -0.04 0.08 0.29 0.05 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.01 0.00 0.01 0.00 -0.06 0.00 -0.04 0.02 -0.04 -0.02 -0.01 0.05 0.05 0.03 0.09 -0.05 -0.03 -0.12 0.06 0.03 0.07 0.13 -0.01 -0.03 -0.07 -0.41 0.01 0.03 -0.02 0.01 0.02 -0.00 0.00 -0.01 -0.58 0.07 -0.21 -0.18 -0.18 0.30 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.09 -0.07 -0.03 -0.08 -0.08 0.00 0.02 0.07 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.03 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.00 0.02 0.01 0.00 -0.03 0.04 -0.01 -0.02 0.04 -0.01 0.03 -0.10 0.00 0.04 0.02 0.00 -0.10 -0.03 0.05 0.01 -0.00 -0.00 -0.08 0.01 -0.02 0.05 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 0.03 -0.06 -0.02 -0.01 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 0.10 -0.11 0.06 -0.30 0.05 -0.18 -0.06 -0.20 -0.08 0.08 0.30 0.12 0.06 0.20 -0.09 -0.05 -0.18 0.09 0.03 0.09 0.20 -0.01 -0.02 -0.12 0.51 -0.07 0.08 -0.03 0.00 0.02 -0.01 -0.00 -0.01 0.31 0.02 -0.01 -0.23 -0.12 0.21 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 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.01 0.00 0.02 -0.05 -0.01 0.00 -0.02 -0.00 -0.04 0.10 0.01 0.04 -0.02 -0.01 0.01 -0.01 0.04 -0.01 0.00 0.00 -0.06 0.01 -0.02 0.05 0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.05 -0.05 -0.01 0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.16 0.20 -0.17 0.26 -0.06 0.19 0.10 0.28 0.11 -0.10 -0.36 -0.14 -0.06 -0.17 0.03 0.01 0.05 -0.02 0.00 -0.01 -0.06 0.00 -0.05 0.03 0.39 -0.02 0.05 0.02 0.00 -0.01 0.01 -0.01 0.00 0.10 0.02 -0.03 -0.39 -0.19 0.32 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 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.07 -0.06 -0.10 -0.07 -0.07 0.02 0.02 0.08 0.03 -0.06 0.01 0.07 0.04 0.02 -0.05 -0.03 0.01 0.01 0.02 -0.02 -0.00 -0.04 0.02 -0.02 -0.01 -0.00 0.00 0.05 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.00 0.01 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 0.02 -0.15 0.53 0.25 0.15 -0.26 -0.08 -0.30 -0.12 0.00 0.04 0.02 0.07 0.15 0.14 0.07 0.11 -0.12 -0.10 -0.17 -0.22 0.06 0.27 0.24 0.10 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.00 -0.01 -0.19 -0.09 0.15 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.02 0.05 0.00 -0.02 -0.01 -0.03 0.06 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 0.14 0.01 -0.08 -0.14 0.07 -0.08 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.39 0.21 -0.21 0.44 0.02 -0.22 -0.06 -0.32 0.59 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.09 0.06 0.04 -0.03 -0.03 -0.03 -0.05 -0.02 0.04 -0.03 -0.04 -0.02 0.02 -0.00 -0.01 0.00 -0.02 0.01 0.02 -0.03 -0.03 -0.04 -0.04 0.00 0.01 0.08 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.41 -0.27 -0.16 -0.07 -0.10 0.17 0.07 -0.12 -0.08 0.06 0.36 0.20 -0.07 -0.32 0.15 0.06 0.26 -0.14 -0.02 -0.11 -0.27 0.02 0.04 0.24 0.08 0.00 0.00 0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.10 0.00 -0.01 -0.20 -0.09 0.15 -0.02 0.01 -0.01 -0.02 -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 0.05 0.00 -0.03 0.05 -0.03 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.02 -0.05 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.03 0.01 0.00 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.45 0.01 -0.24 0.40 -0.22 0.21 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.39 0.21 -0.21 -0.44 -0.02 0.21 -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 0.00 0.00 -0.00 0.00 -0.01 -0.05 0.07 -0.03 -0.03 0.09 0.04 0.03 -0.06 -0.01 0.06 -0.01 -0.02 -0.02 -0.06 -0.01 0.01 -0.01 0.00 0.01 -0.02 0.00 -0.00 0.01 0.03 0.00 -0.00 -0.04 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 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 0.04 0.01 -0.42 0.21 0.28 -0.37 0.12 -0.05 -0.09 -0.01 -0.04 0.03 -0.07 -0.32 0.16 -0.05 -0.26 0.03 0.03 0.12 0.17 0.08 0.22 0.42 -0.04 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.01 0.06 0.00 0.00 0.10 0.04 -0.07 0.01 -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 0.02 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.07 0.00 -0.04 0.04 -0.06 0.01 -0.03 0.01 -0.00 0.03 -0.01 0.02 -0.06 0.02 -0.01 -0.06 -0.01 -0.01 -0.07 0.09 -0.00 -0.04 -0.04 -0.02 0.14 0.00 0.00 -0.11 -0.02 0.04 0.00 -0.00 -0.00 -0.04 -0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 0.01 -0.03 0.04 -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 0.16 -0.16 0.31 0.22 -0.06 0.09 0.11 0.13 0.05 -0.06 -0.06 0.01 -0.10 -0.33 0.07 0.13 0.53 -0.09 0.05 0.13 0.01 -0.01 -0.18 -0.04 -0.17 0.01 -0.03 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.25 0.00 0.02 0.23 0.10 -0.16 -0.01 0.01 -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 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.05 -0.02 -0.02 0.06 0.02 0.01 0.00 0.07 -0.01 0.02 -0.06 0.03 -0.03 0.02 0.03 0.02 0.01 0.01 -0.01 0.04 -0.06 0.01 -0.11 0.01 0.00 0.08 0.02 -0.03 0.00 0.00 0.00 0.04 0.01 -0.02 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.01 0.02 -0.03 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 0.05 -0.11 0.13 -0.10 0.17 -0.32 0.02 0.11 0.04 -0.02 -0.11 -0.05 -0.14 -0.35 -0.01 0.07 0.31 0.04 0.12 0.36 0.38 -0.03 -0.24 -0.22 0.15 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.20 -0.00 -0.01 -0.16 -0.07 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.10 0.18 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.23 -0.12 0.16 -0.11 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 0.01 0.03 -0.04 0.00 -0.00 0.02 0.00 -0.05 -0.00 -0.00 0.08 -0.03 0.06 -0.00 0.00 0.00 -0.07 -0.02 0.04 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.02 0.02 -0.03 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.03 0.02 -0.02 -0.02 -0.14 0.04 -0.10 -0.03 -0.05 -0.02 0.01 0.00 -0.00 -0.02 -0.05 -0.00 0.00 0.01 0.01 0.01 0.04 0.06 -0.01 -0.04 -0.07 -0.62 0.10 -0.15 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.54 -0.02 0.11 -0.08 -0.05 0.05 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 0.02 -0.11 -0.03 -0.00 0.09 0.09 0.03 -0.05 0.10 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 -0.06 -0.02 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.08 0.04 -0.05 0.04 0.01 -0.01 0.01 -0.01 0.02 -0.00 0.01 0.04 0.02 0.01 0.01 -0.01 -0.00 0.02 0.02 0.01 -0.02 -0.00 0.08 -0.11 -0.00 -0.05 0.09 -0.00 0.00 -0.01 -0.00 0.05 -0.02 0.04 -0.00 0.00 0.00 -0.09 -0.03 0.05 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.03 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.04 -0.03 -0.05 -0.39 0.05 -0.20 -0.08 -0.23 -0.09 -0.01 -0.00 0.01 -0.05 -0.17 0.03 0.03 0.09 -0.03 0.03 0.06 0.05 -0.04 -0.10 -0.20 -0.46 0.08 -0.12 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.54 -0.03 0.09 -0.10 -0.04 0.07 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.04 0.01 0.00 -0.02 -0.03 -0.01 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.03 0.02 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.04 0.02 -0.03 0.02 -0.04 0.03 -0.03 -0.00 -0.01 0.01 -0.00 -0.07 -0.03 0.00 -0.00 0.01 0.01 -0.02 -0.03 0.01 0.04 0.01 -0.08 0.11 0.00 0.08 -0.11 0.01 -0.10 0.02 -0.00 0.08 -0.01 0.00 0.00 0.00 -0.01 -0.07 -0.02 0.05 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.02 0.00 -0.00 -0.01 0.03 -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 0.10 0.43 0.01 0.15 0.09 0.34 0.14 0.04 0.04 -0.01 0.05 0.19 -0.05 -0.05 -0.17 0.08 -0.02 -0.05 -0.01 0.05 0.10 0.20 -0.38 0.06 -0.10 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.43 -0.04 0.09 -0.18 -0.08 0.14 -0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.01 -0.01 0.00 -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 -0.01 -0.01 0.05 -0.00 0.01 -0.04 0.03 0.08 0.03 -0.02 -0.08 0.03 -0.01 -0.04 -0.07 -0.01 0.01 0.00 -0.02 0.02 0.00 0.02 -0.02 0.00 -0.02 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 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 0.06 0.02 -0.33 -0.01 -0.17 0.29 -0.09 -0.34 -0.14 -0.07 -0.27 -0.12 0.08 0.29 -0.09 0.10 0.39 -0.13 0.05 0.18 0.34 0.05 0.13 0.23 -0.03 0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.03 -0.00 0.01 -0.02 -0.01 0.02 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -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 0.01 -0.03 -0.16 0.30 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.13 0.02 -0.11 -0.11 0.09 -0.10 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.14 0.09 -0.10 0.17 0.02 -0.10 -0.01 -0.07 0.13 0.00 -0.00 0.00 0.02 -0.02 0.01 -0.01 -0.03 0.06 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.01 0.01 0.02 0.06 0.01 0.04 0.08 -0.03 0.00 -0.01 0.29 0.03 -0.19 -0.27 0.16 -0.19 0.04 -0.00 0.01 -0.01 -0.00 0.01 0.38 -0.18 0.18 -0.42 -0.01 0.19 0.01 0.07 -0.13 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.05 -0.00 -0.00 -0.00 0.03 0.03 -0.04 0.01 -0.01 0.04 0.02 -0.03 0.03 -0.02 0.03 -0.01 0.02 0.01 0.02 -0.01 -0.03 -0.01 -0.00 -0.03 0.02 -0.01 -0.01 -0.03 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.04 0.00 -0.01 0.09 -0.22 0.42 0.00 0.01 -0.01 0.13 0.12 -0.24 -0.27 0.05 -0.10 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.27 0.04 -0.09 0.19 0.09 -0.17 0.11 -0.13 0.25 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.04 -0.04 0.04 -0.04 0.03 -0.03 0.04 0.15 0.06 0.00 -0.00 0.00 0.03 0.14 -0.05 0.01 0.05 -0.00 0.01 0.04 0.05 0.03 0.07 0.14 -0.12 0.04 -0.06 -0.01 0.00 0.01 0.01 -0.00 0.00 0.36 -0.00 0.05 -0.18 -0.10 0.17 -0.02 0.01 -0.01 0.03 0.00 -0.01 -0.00 -0.01 0.01 -0.03 0.06 0.01 0.04 0.01 -0.02 -0.03 0.05 -0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.06 0.01 0.11 -0.01 0.09 -0.04 -0.06 -0.04 -0.03 -0.09 0.03 -0.02 0.01 -0.05 0.01 -0.01 0.01 0.03 -0.03 -0.01 -0.03 0.03 -0.01 0.02 -0.01 0.00 -0.01 0.01 -0.02 -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 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.00 -0.01 -0.39 0.15 -0.38 0.15 0.38 0.15 -0.04 -0.05 0.02 0.10 0.42 -0.14 0.07 0.28 -0.09 0.01 0.01 -0.15 0.06 0.15 0.30 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.00 -0.01 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 -0.01 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 -0.09 0.07 0.08 -0.03 -0.04 -0.01 0.02 0.03 0.07 0.02 -0.02 -0.08 -0.08 0.01 -0.01 0.01 0.02 -0.03 0.00 -0.02 0.02 -0.00 0.01 -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 0.00 -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 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.11 0.41 -0.32 -0.18 0.29 -0.05 0.08 0.06 -0.06 -0.06 0.02 -0.06 -0.19 0.10 -0.06 -0.29 0.14 0.07 0.16 0.34 0.07 0.19 0.43 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.01 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 0.00 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 -0.01 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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.12 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.19 0.53 0.02 0.29 0.38 0.30 -0.04 0.50 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.11 0.01 0.04 0.11 -0.04 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.01 0.00 -0.04 0.01 0.00 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.52 0.03 -0.30 -0.46 0.28 -0.27 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.21 -0.11 0.09 -0.23 -0.00 0.10 -0.03 -0.15 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 0.01 0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.03 0.02 -0.15 0.06 -0.03 0.01 -0.11 -0.04 0.00 -0.05 0.02 0.01 -0.03 -0.05 -0.00 -0.02 -0.00 0.05 -0.10 0.00 -0.05 0.06 -0.01 0.03 -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 -0.00 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 0.03 0.02 0.04 0.40 0.11 0.12 -0.00 0.19 0.08 0.21 0.55 0.17 0.04 0.13 -0.04 0.05 0.22 -0.03 0.06 0.21 0.44 -0.01 0.05 -0.03 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.03 0.00 -0.01 0.04 0.02 -0.03 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.14 0.11 -0.01 -0.04 -0.02 0.00 0.06 0.02 0.01 0.03 0.00 -0.00 0.01 0.01 0.01 0.03 -0.06 0.01 0.00 -0.01 -0.00 -0.04 0.02 -0.02 0.03 -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 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.61 -0.60 0.03 0.14 0.03 -0.02 -0.03 -0.01 -0.01 0.01 -0.23 -0.18 0.03 0.13 -0.09 -0.07 -0.19 0.14 -0.02 -0.04 0.00 -0.00 -0.04 -0.07 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 -0.02 0.04 0.02 -0.04 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.02 0.02 -0.00 -0.00 0.01 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 -0.01 -0.02 -0.01 0.00 -0.01 -0.00 -0.01 0.02 -0.00 0.07 0.00 -0.01 -0.11 0.05 -0.09 -0.00 -0.00 0.00 0.19 0.00 -0.00 -0.06 -0.05 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.13 -0.04 0.08 0.16 0.01 -0.02 -0.08 0.09 -0.17 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.06 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 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.04 -0.07 0.13 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.46 -0.10 0.24 -0.40 -0.29 0.52 -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 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.01 -0.03 -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 0.01 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.51 0.39 -0.06 -0.33 0.03 0.58 0.06 -0.32 -0.16 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.02 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.47 0.17 0.03 -0.40 -0.25 0.07 0.21 -0.31 0.62 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.07 -0.13 0.00 0.00 -0.00 0.00 -0.00 0.00 0.07 -0.05 0.05 -0.08 -0.01 0.06 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.14 0.04 -0.00 0.14 -0.03 -0.01 0.01 0.06 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.11 -0.06 0.16 0.07 -0.11 0.16 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.30 -0.21 0.25 -0.36 -0.06 0.26 -0.06 -0.31 0.56 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 0.00 -0.00 -0.01 -0.02 -0.06 -0.01 -0.04 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 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 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.05 0.01 0.00 -0.02 -0.04 0.04 0.39 0.02 0.41 -0.28 0.22 0.43 0.30 0.22 -0.18 -0.20 0.34 -0.15 -0.06 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.05 0.00 -0.01 -0.03 -0.01 0.02 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 -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 -0.02 -0.01 0.02 0.11 0.05 -0.09 -0.00 0.00 -0.00 -0.02 -0.06 0.11 -0.15 0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.13 0.03 -0.06 -0.02 -0.05 0.09 0.11 0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.10 0.02 0.00 -0.03 -0.03 0.09 0.11 0.00 0.12 -0.08 0.07 0.13 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.58 -0.07 0.12 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.52 -0.03 0.08 0.34 0.12 -0.22 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.00 0.05 0.00 0.01 0.02 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -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 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.59 -0.15 -0.02 0.17 0.18 -0.56 -0.11 -0.01 -0.11 0.07 -0.07 -0.11 0.23 0.17 -0.11 -0.15 0.26 -0.11 0.05 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.00 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.11 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.10 -0.03 0.09 -0.08 0.07 -0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.07 -0.09 -0.09 -0.03 0.09 0.08 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.01 -0.00 0.01 0.01 -0.03 -0.02 0.02 0.02 -0.03 0.02 0.01 -0.00 0.00 0.45 -0.01 -0.18 0.42 -0.20 0.16 0.01 -0.00 0.00 0.00 0.00 -0.00 0.39 -0.18 0.15 0.43 -0.01 -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 0.00 -0.03 0.01 0.01 0.05 -0.01 -0.05 0.03 0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.02 -0.00 -0.00 0.03 -0.01 0.01 -0.33 0.09 0.01 -0.09 -0.11 0.30 -0.27 -0.01 -0.28 0.19 -0.15 -0.29 0.35 0.25 -0.20 -0.23 0.39 -0.18 0.02 -0.00 0.00 0.02 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.00 0.00 0.01 0.00 -0.01 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.02 -0.03 0.04 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.02 -0.03 -0.07 0.15 -0.30 -0.00 -0.00 0.01 -0.08 -0.11 0.21 0.11 -0.08 0.16 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.12 0.09 -0.19 0.10 0.15 -0.30 0.09 -0.20 0.40 -0.00 -0.00 0.01 -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 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.02 0.02 -0.01 -0.02 0.03 -0.01 -0.30 -0.05 0.08 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.21 0.07 -0.13 -0.42 -0.09 0.16 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.02 0.01 -0.02 -0.02 -0.01 0.01 -0.01 0.02 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.03 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.03 0.02 0.02 0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.02 -0.00 -0.01 -0.00 -0.40 -0.28 -0.27 -0.07 0.00 -0.03 0.44 0.26 0.29 -0.09 -0.01 -0.06 0.00 0.01 0.00 0.03 -0.01 -0.03 0.01 0.00 -0.00 0.02 -0.00 0.00 -0.09 0.00 0.03 -0.07 0.02 -0.00 -0.02 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.01 0.08 -0.02 0.01 0.10 -0.00 -0.04 -0.05 -0.00 0.03 -0.00 0.00 0.00 0.29 -0.22 0.13 -0.04 0.02 -0.03 -0.11 0.04 -0.00 -0.02 0.04 0.16 -0.06 -0.00 -0.05 0.07 0.03 -0.09 0.05 0.05 -0.01 -0.03 0.06 -0.02 -0.01 0.00 -0.01 0.08 0.00 -0.06 0.02 -0.04 0.04 0.02 -0.00 0.00 0.01 0.01 -0.02 -0.06 0.06 -0.08 -0.12 -0.01 0.07 -0.05 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 0.02 0.01 -0.00 0.00 -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 -0.01 0.03 0.13 -0.23 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.12 -0.06 0.16 0.08 -0.11 0.16 0.01 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.04 0.11 -0.18 0.08 0.08 -0.18 -0.04 -0.18 0.33 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.30 -0.05 -0.05 -0.28 0.08 -0.02 -0.01 0.00 -0.01 -0.02 -0.01 0.02 0.24 -0.02 -0.06 -0.23 0.08 -0.04 0.05 0.26 -0.47 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -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 0.07 0.06 0.05 0.01 0.00 0.00 -0.08 -0.05 -0.05 0.02 0.00 0.01 -0.01 -0.00 -0.00 0.14 -0.03 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.26 0.03 0.06 -0.26 0.10 -0.05 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.27 -0.11 0.07 0.29 -0.03 -0.07 -0.15 0.04 -0.01 0.00 -0.00 -0.00 -0.06 0.04 -0.02 0.01 -0.00 0.01 0.02 -0.01 0.00 0.00 -0.01 -0.03 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.26 0.06 -0.22 0.23 -0.19 0.21 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.27 0.19 -0.23 -0.31 -0.06 0.24 -0.17 0.03 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.04 -0.05 -0.17 -0.02 0.03 -0.00 0.01 -0.01 0.22 0.04 -0.08 0.35 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 -0.31 0.02 -0.04 -0.28 -0.06 0.12 0.18 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.38 0.10 -0.19 0.00 -0.01 0.01 -0.02 0.01 -0.01 0.41 -0.05 0.12 0.19 0.18 -0.34 0.02 -0.01 0.01 0.00 0.01 -0.01 0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.31 -0.28 -0.20 -0.03 -0.14 0.19 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 -0.02 -0.03 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.05 -0.03 0.50 0.39 0.32 -0.02 0.01 0.01 0.04 0.22 -0.27 0.03 -0.02 0.02 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.04 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.02 -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 0.03 -0.03 0.01 0.24 0.00 0.11 0.02 0.02 0.00 -0.01 0.03 -0.01 0.01 0.01 0.00 -0.01 0.00 0.01 -0.04 -0.00 0.07 0.03 -0.02 0.04 0.09 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.02 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 0.01 0.00 0.00 0.00 -0.00 -0.16 -0.14 -0.11 0.04 0.27 -0.40 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.06 -0.03 0.24 0.21 0.16 -0.01 0.05 -0.01 -0.00 -0.40 0.59 -0.07 0.03 -0.06 0.00 -0.00 0.00 0.04 0.01 -0.01 0.07 -0.02 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.00 -0.01 -0.02 0.01 -0.01 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 0.05 -0.04 0.02 0.13 -0.01 0.06 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.03 0.01 -0.00 0.01 -0.15 0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 0.04 -0.00 0.01 -0.05 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.06 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 -0.11 -0.11 -0.02 -0.02 0.06 0.04 -0.01 0.19 -0.45 0.78 -0.30 0.20 0.01 -0.01 -0.01 -0.03 0.00 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.03 -0.01 -0.05 0.01 -0.03 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.14 -0.04 0.01 -0.05 -0.02 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.28 0.15 0.21 0.60 -0.04 0.36 -0.36 0.35 -0.13 0.20 0.06 -0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.04 0.56 -0.34 0.38 -0.23 0.58 0.09 -0.15 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.02 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.03 -0.02 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.19 -0.21 -0.05 -0.02 0.10 0.05 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.24 0.12 0.18 0.34 -0.02 0.20 0.50 -0.48 0.18 -0.32 -0.10 0.11 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.06 -0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.61 0.66 0.15 -0.02 0.07 0.04 -0.00 0.02 -0.05 0.13 -0.05 0.03 -0.21 0.11 0.16 0.17 -0.01 0.10 0.08 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.01 -0.07 0.02 0.01 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.02 0.01 -0.03 -0.02 0.00 0.04 -0.09 -0.02 0.01 -0.01 0.49 -0.26 -0.41 0.38 -0.02 0.24 -0.08 0.09 -0.04 -0.46 -0.16 0.17 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.04 0.04 -0.08 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.08 -0.04 -0.01 -0.32 0.80 0.44 -0.16 0.10 0.04 -0.02 -0.03 0.02 -0.00 0.01 -0.02 0.02 -0.01 -0.08 -0.03 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.07 -0.04 0.00 0.00 -0.01 -0.01 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.01 -0.19 0.83 0.46 -0.00 -0.05 0.11 -0.03 0.01 -0.01 0.09 -0.05 -0.08 0.03 -0.00 0.02 -0.05 0.05 -0.02 0.12 0.04 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.05 0.02 0.01 -0.08 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 0.02 0.01 0.03 -0.12 -0.07 0.00 -0.01 0.02 0.04 -0.01 0.01 0.30 -0.16 -0.25 0.26 -0.01 0.16 0.27 -0.28 0.11 0.65 0.23 -0.24 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.03 -0.43 0.24 -0.30 0.18 0.75 0.13 -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 -0.03 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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.09 -0.03 0.70 0.42 -0.49 0.28 -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 -0.01 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 0.02 0.01 -0.03 0.02 -0.02 0.04 -0.05 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.07 -0.10 -0.09 -0.04 0.12 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.27 -0.14 0.37 -0.23 0.29 -0.42 0.62 -0.14 -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 0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.02 -0.05 -0.02 0.03 -0.04 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.10 0.13 -0.18 0.13 0.06 -0.18 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.39 -0.21 0.52 0.26 -0.34 0.49 0.06 -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 -0.01 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 -0.00 -0.02 -0.01 0.03 -0.01 0.02 -0.02 -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 0.14 -0.18 0.26 0.17 0.08 -0.24 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.21 0.11 -0.29 0.13 -0.18 0.26 0.71 -0.16 -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 -0.01 -0.02 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.02 -0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.13 0.25 -0.48 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 0.60 -0.28 0.50 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 -0.00 0.00 0.00 -0.00 -0.02 0.03 -0.04 0.03 0.02 -0.05 -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 0.01 -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 0.27 -0.34 0.49 -0.38 -0.18 0.53 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.14 -0.07 0.18 0.09 -0.12 0.17 -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 0.02 -0.03 0.04 0.03 0.01 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.01 0.01 -0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.25 0.32 -0.46 -0.35 -0.16 0.47 -0.01 -0.01 0.03 0.00 -0.00 0.00 0.18 0.10 -0.24 0.12 -0.16 0.23 0.23 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.04 -0.08 -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 -0.03 -0.05 0.10 0.01 -0.02 0.02 0.01 0.00 -0.01 -0.23 -0.41 0.86 0.09 -0.04 0.07 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.06 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.20 -0.37 0.70 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.07 -0.15 0.40 -0.18 0.32 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 17 16 16 8 8 8 8 6 6 6 6 6 6 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 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 16 8 8 8 8 6 6 6 6 6 6 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 1 34.96885 31.97207 31.97207 15.99491 15.99491 15.99491 15.99491 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 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 1.00783 446.04133 0.99995 -0.00678 0.0075 0.00684 0.99994 -0.00802 -0.00745 0.00807 0.99994 asymmetric 1 0.01271 0.00496 0.00428 0.26486 0.10336 0.08913 952874.2 24.91 35.72 39.63 69.75 88.28 93.30 113.31 131.79 156.64 159.99 176.81 191.46 200.72 224.63 269.89 276.62 302.64 313.20 327.88 356.63 386.99 404.30 417.69 427.62 443.52 471.88 521.96 600.00 604.14 612.87 617.91 628.16 641.31 671.58 693.43 711.65 744.33 754.56 786.71 821.74 847.68 903.58 904.26 962.94 968.00 1008.04 1010.09 1024.19 1036.65 1072.34 1075.86 1100.65 1147.68 1158.59 1175.96 1229.47 1233.78 1266.35 1281.24 1285.65 1297.25 1316.07 1353.46 1370.19 1390.48 1397.31 1403.66 1421.59 1428.34 1449.11 1457.42 1463.91 1466.63 1500.11 1501.53 1536.02 1559.96 1564.20 1582.66 1584.76 1587.51 1630.84 1671.04 1681.79 1704.91 1717.77 1728.34 1742.55 1749.13 1786.49 1792.49 1835.80 1856.59 1867.66 1879.56 1892.86 1907.38 1913.15 1918.78 1930.47 1940.07 1945.31 1971.90 2022.71 2084.00 2086.52 2116.16 2146.12 2148.01 2156.91 2169.45 2182.66 2287.40 2309.38 2323.23 2333.67 2336.03 2457.91 2487.33 4371.66 4383.73 4394.08 4398.65 4418.53 4446.24 4449.94 4460.06 4475.33 4541.84 4555.46 4558.64 4572.65 4588.88 4597.48 4604.98 4608.43 4611.23 4617.37 0.362931 0.388915 0.389859 0.305280 -2407.260864 -2407.234879 -2407.233935 -2407.318514 244.048 100.123 178.012 0.000 0.000 0.000 0.889 2.981 44.175 0.889 2.981 36.131 242.271 94.161 97.706 1 0.593 1.986 6.920 2 0.593 1.985 6.205 3 0.593 1.984 5.999 4 0.595 1.978 4.879 5 0.597 1.973 4.413 6 0.597 1.971 4.304 7 0.600 1.963 3.922 8 0.602 1.955 3.626 9 0.606 1.942 3.289 10 0.607 1.940 3.248 11 0.610 1.930 3.054 12 0.613 1.920 2.901 13 0.615 1.914 2.811 14 0.620 1.896 2.596 15 0.632 1.857 2.252 16 0.634 1.851 2.206 17 0.643 1.825 2.041 18 0.646 1.814 1.978 19 0.651 1.798 1.896 20 0.661 1.766 1.746 21 0.673 1.730 1.603 22 0.681 1.709 1.528 23 0.686 1.692 1.472 24 0.691 1.679 1.433 25 0.698 1.658 1.372 26 0.711 1.620 1.270 27 0.737 1.549 1.110 28 0.780 1.433 0.902 29 0.783 1.427 0.892 30 0.788 1.414 0.872 31 0.791 1.406 0.860 32 0.797 1.390 0.837 33 0.805 1.370 0.809 34 0.824 1.324 0.747 35 0.838 1.290 0.705 36 0.850 1.262 0.672 37 0.872 1.212 0.616 38 0.879 1.196 0.600 39 0.902 1.147 0.551 40 0.927 1.094 0.502 41 0.946 1.055 0.469 0.329090e+27 26.517314 61.058372 0.505854e+11 10.704025 24.646929 0.100000e+01 0.000000 0.000000 0.370268e+09 8.568517 19.729738 0.175700e+08 7.244772 16.681705 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.8811 -1.1600 0.5343 3.1515 -187.5132 -187.8939 -197.5036 6.7203 17.1469 -4.2286 3.4570 3.0764 -6.5334 6.7203 17.1469 -4.2286 175.1340 -14.5999 7.6959 -57.0214 -127.4984 -47.8856 -7.3047 4.7243 -2.0165 -21.2276 -11451.9941 -3812.1505 -1676.2735 352.7544 239.2411 44.0637 -142.6616 78.5136 -17.6171 -2259.5138 -2246.0584 -923.6879 71.9095 27.7924 -33.6006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2407.6237943 1.797E-9 2.742E-6 0.3629306 0.3889152 -2407.234879 -2407.2339348 -2407.318514 8.8933,3.0185837,-11.9118837,-1.9695785,-6.3501358,7.472031 C01 [X(C22H19Cl1O4S2)] -0.632613 1.0523341 -0.1724273 -0.2356617 0.2268076 0.0906675 0.2592924 -0.4965064 -0.2007814 0.0883076 -0.2333749 -0.1281847 -0.0216857 -0.2837599 0.1716071 -0.3604099 -0.2477617 0.1621178 0.1248003 0.0511298 -0.0766848 2.4069993 -0.3847873 0.2855015 -0.3656266 1.8107304 -0.1105122 0.4662715 -0.2046212 1.8126683 -1.2330747 -0.1672019 0.5033817 0.0900711 -0.6494499 0.1661977 0.3251278 0.2068334 -0.5536829 -0.7091911 0.0505334 -0.2351388 0.1287204 -0.6032183 -0.2506078 -0.3559582 -0.1130437 -0.7777922 -0.8353693 0.0902244 -0.0906521 0.0218285 -0.531731 -0.1618698 -0.2212478 0.0640303 -1.1529899 -0.8488237 0.1631512 -0.0755395 0.2380974 -1.1928502 0.1109618 -0.0600247 -0.0496406 -0.526933 0.2091163 -0.1337153 0.0269589 0.0624685 -0.0487837 -0.0185996 0.1144845 0.043798 -0.0218458 -0.0406623 0.1471057 -0.0063632 0.1820304 -0.1274317 -0.064269 0.026406 -0.1281391 0.0541551 0.0286535 -0.0397674 0.0318429 -0.0606274 0.0317574 0.0406128 0.0519575 -0.0255127 0.0810811 -0.0160521 0.0054941 0.0068677 -0.0449433 0.0955955 0.0099389 -0.0443827 0.0643365 0.0328206 0.0646806 -0.023775 0.005818 0.0076411 0.039913 -0.0076087 -0.0067556 0.0516718 0.0416893 0.6521363 0.4563116 -0.5177118 0.3401748 0.5022426 -0.2292742 -0.5333821 -0.329419 0.1940008 1.2681294 0.2330486 -0.617368 0.1753645 1.2490691 -0.4662021 -0.5247842 -0.3379919 0.4763607 -0.8759669 -0.2673335 0.393642 -0.315529 -0.7574005 0.3319153 0.2558117 0.3384492 -0.2836783 1.3396126 -0.3662702 0.4702397 -0.5834884 0.8621282 0.1499619 0.652797 0.0230675 0.8073052 -0.5260132 0.2385998 -0.2359811 0.314185 -0.2251235 0.0193843 -0.1687784 -0.0532666 -0.1717303 -0.1545606 -0.1549545 0.1105576 -0.1091428 0.2217862 -0.1016853 0.1816227 -0.0305067 -0.0364225 0.3209471 -0.4618045 -0.195049 -0.317199 0.6939139 0.3323568 -0.052864 0.2250373 0.1404121 -0.0146854 0.103367 0.0948695 -0.1323696 -0.0143204 -0.0605315 -0.0790461 0.0829813 0.0034807 -0.0958901 0.0116947 -0.034103 -0.004712 -0.1048335 0.1503474 0.0194421 -0.0605466 -0.0356116 -0.0497211 0.1114783 0.0136476 -0.0192846 -0.1065497 -0.0542662 0.0344018 0.134767 0.0123715 -0.2683492 0.2527929 0.0731296 0.0607906 -0.2369519 -0.1025301 -0.0984806 0.0872461 -0.0369418 -0.1923598 -0.0966679 -0.1433314 0.1127075 -0.0236136 0.1191508 0.0425599 -0.114209 -0.1227232 -0.3550762 0.0628802 -0.027752 0.0619642 -0.1076899 0.1154274 -0.1321402 0.1768348 -0.136423 -0.0403497 0.0447382 0.1152066 -0.0079465 -0.1282813 0.0128601 0.0669074 0.0564749 -0.0036743 -0.0971065 -0.0585689 -0.0485864 0.0117895 0.0365879 0.1449149 0.0284957 0.1134224 -0.0590939 -0.0028621 -0.0746514 0.0584149 -0.0795919 -0.0021778 0.0269501 0.0488768 0.0299795 -0.0185003 -0.3942988 0.0122774 0.0013179 0.0195943 -0.1485187 0.0677633 -0.0456084 0.0809775 -0.1564855 -0.1019142 -0.0401435 0.0225369 -0.0437281 0.022702 -0.0024915 0.0135037 0.0070288 0.0502494 0.0054943 -0.0481975 0.0583386 -0.0213745 -0.0372779 0.0634465 0.0421127 0.0671978 -0.021028 0.0410073 -0.0257187 -0.0007999 -0.0491114 0.0231528 -0.1069234 -0.030812 -0.0538835 -0.0626941 -0.0158595 0.1007365 -0.0287272 0.135418 -0.1407178 0.0647843 -0.005849 0.0257255 0.0518756 0.0339197 -0.0033515 -0.0459294 -0.0170871 0.0277963 0.0901478 -0.0352999 0.0809236 -0.0688988 -0.0476387 0.075709 0.064908 0.1326062 -0.1006435 -0.0577838 0.0495547 -0.0416995 0.0349564 0.033575 0.0632144 0.0052463 0.0144933 -0.1862573 0.0008856 0.0136569 -0.0045685 0.0496733 -0.0745051 -0.0210224 -0.0555037 0.0065407 0.0998029 0.0182101 -0.0584213 0.0015813 -0.019663 0.1101101 -0.0186763 -0.0366145 0.0043374 0.0677869 -0.0225429 -0.0175158 -0.0220687 0.0734267 0.098144 0.0103113 -0.019582 0.0287366 0.0052864 -0.0684994 -0.0363867 -0.0537736 0.093092 0.0771717 0.0132937 -0.0341169 0.0404976 0.1133353 -0.0016516 -0.058209 -0.0197511 0.0204353 0.1312594 -0.0086323 0.0062031 -0.0038019 0.0932379 -0.0165213 0.0018422 -0.0344348 0.0801129 0.1009188 0.0244415 0.0112514 0.0376345 0.0519646 -0.0319537 -0.0007004 -0.0119513 0.1017466 0.0587155 0.0319221 -0.1046356 0.0088195 0.0503231 -0.033576 -0.0758941 -0.0185152 0.0153568 0.0986929 0.0600222 -0.017801 0.0252567 -0.0359762 -0.050704 -0.0250225 -0.0816095 0.0435886 0.0502687 0.0971451 -0.0558566 0.0659603 0.0264808 0.013823 -0.0403553 0.0018045 0.0754888 0.0821347 -0.0430827 0.0058582 -0.0412618 0.0639431 -0.0160937 0.0006953 -0.0108327 -0.0225456 0.0773665 0.0010747 0.038439 0.0123741 -0.02698 0.0033439 0.0418346 -0.0024291 0.0682651 -0.0413758 0.033707 -0.0393089 -0.0221594 0.0915101 0.0219768 0.016449 0.020491 0.0796146 336.9471452|-47.8501698|332.1092693|24.4047059|-14.9570895|257.6663209 0.000002342 -0.000000582 0.000002324 0.000005274 0.000003125 -0.000000787 -0.000001836 -0.000004487 0.000007565 -0.000002504 -0.000001132 0.000001407 0.000002821 -0.000005330 -0.000000372 0.000001314 -0.000002811 -0.000012162 0.000002246 0.000010470 0.000001933 0.000000294 0.000004924 0.000004013 -0.000007746 0.000000793 -0.000003038 0.000005826 0.000001227 0.000003650 -0.000002798 -0.000004069 -0.000006085 0.000001417 -0.000003590 -0.000002386 -0.000000965 -0.000007383 0.000002971 0.000003776 -0.000001890 -0.000005026 0.000001650 0.000006365 0.000003908 -0.000000522 -0.000001281 0.000003713 -0.000002534 0.000001925 -0.000003134 -0.000002396 -0.000000942 0.000001047 -0.000001518 -0.000000299 0.000001921 -0.000003107 0.000002803 -0.000001043 0.000003076 0.000000348 -0.000000279 0.000002452 -0.000000169 0.000002686 -0.000001002 0.000000359 -0.000002653 -0.000000219 0.000001685 0.000001333 0.000003665 -0.000003092 -0.000000854 -0.000000909 0.000001507 0.000000672 -0.000000380 0.000000217 0.000000447 -0.000000780 -0.000000185 0.000001138 -0.000004306 -0.000001827 0.000001986 0.000000013 0.000000440 -0.000000158 -0.000001541 -0.000000167 -0.000000407 -0.000001590 -0.000000259 -0.000000009 -0.000001152 -0.000000230 -0.000000975 -0.000000306 0.000000733 0.000001028 0.000000081 0.000000860 0.000001858 0.000000216 0.000000530 0.000000462 0.000000148 0.000001495 -0.000000588 -0.000000825 -0.000001546 0.000000069 -0.000000567 -0.000001081 0.000000868 -0.000000894 -0.000000600 0.000001428 0.000000316 0.000001286 -0.000001439 -0.000000985 -0.000000243 -0.000001349 0.000000870 0.000000829 0.000000045 -0.000000428 0.000000377 0.000001266 0.000000940 0.000000705 0.000000155 0.000000141 0.000001338 -0.000002191 0.000001500 0.000000049 -0.000001283 0.000001436 -0.000001194 -0.000003676 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; Gaussian 16 16-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C22H19ClO4S2)] 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; oldchk=/home/apulgar/almacen/pesticidas/27_herbicides/benzobicyclon/gaussian/ga #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 benzobicyclon CONF5 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 32 16 16 16 16 12 12 12 12 12 12 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 1 34.9688527 31.9720718 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 3 0 0 0 0 0 0 0 0 0 0 0 0 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 1 14.2400000 13.6000000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 805 A 776 A 776 1241 805 116 116 3467.1736437934 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 -0.0747143345 0.000000 4.423434 0.000000 5.394268 8.302802 0.000000 3.478610 5.170000 6.976258 0.000000 4.520695 3.627681 6.694360 3.514070 0.000000 5.291496 8.486931 1.467305 7.495874 7.464797 0.000000 6.509581 8.818308 1.466969 7.883687 7.021112 2.556935 0.000000 4.367344 2.714929 9.291449 4.071724 4.453313 9.446064 10.100107 0.000000 4.100291 4.577099 8.847385 2.408201 4.587691 9.113291 9.806373 2.356279 0.000000 5.020038 3.989813 9.792718 3.576463 4.642456 10.082228 10.626211 1.536370 1.536749 0.000000 3.839497 3.596696 9.153171 4.287803 5.434213 9.095803 10.133183 1.559373 2.474020 2.421501 0.000000 3.645397 4.678629 8.864270 3.356843 5.507422 8.875809 9.946850 2.462589 1.558259 2.412070 1.554446 0.000000 3.610428 1.765267 8.041915 3.564453 3.102288 8.299948 8.742405 1.519443 2.841080 2.486944 2.512828 3.178563 0.000000 3.278503 4.159139 7.506239 1.221504 3.299351 7.908409 8.389808 2.850936 1.521472 2.490818 3.196384 2.523715 2.456428 0.000000 3.048121 2.820163 7.128107 2.357244 2.331569 7.526863 7.861986 2.487932 2.551270 2.820112 3.174571 3.206740 1.354870 1.480438 0.000000 3.313939 3.339236 6.104656 2.765041 1.215289 6.713593 6.658456 3.908210 3.891612 4.222081 4.602801 4.594462 2.534038 2.510225 1.501559 0.000000 2.793765 4.296354 4.602040 3.199657 2.356632 5.228202 5.237469 5.025495 4.785009 5.426438 5.357842 5.213759 3.681347 3.335036 2.646661 1.511287 0.000000 4.053623 1.798692 6.856587 5.389282 3.289669 7.073834 7.230702 4.191336 5.541592 5.341626 4.798369 5.631717 2.862395 4.682377 3.234506 2.981525 3.402308 0.000000 1.756685 4.730292 4.055989 3.502518 3.669666 4.345211 5.010534 5.254117 4.924252 5.779717 5.171110 4.957117 4.095298 3.650310 3.194734 2.616472 1.404748 3.837660 0.000000 4.061758 5.274454 4.052758 4.192543 2.707118 5.004207 4.357790 6.285024 6.024450 6.615431 6.734778 6.579054 4.876754 4.522952 3.862373 2.458989 1.404671 4.116101 2.400893 0.000000 3.433609 2.765952 6.104669 5.660718 4.179678 6.078706 6.604771 4.764362 5.921919 5.989133 4.935378 5.706197 3.558939 5.061115 3.784021 3.554050 3.434746 1.397573 3.358118 4.204277 0.000000 5.039649 2.778667 6.837145 5.910632 3.033454 7.276834 6.939435 5.189243 6.389183 6.143839 6.007483 6.728920 3.777168 5.363161 3.915465 3.197526 3.590048 1.397264 4.369416 3.835553 2.424442 0.000000 2.662642 5.935907 2.756634 4.629967 4.786322 2.970292 3.875218 6.607172 6.209139 7.146247 6.400893 6.138113 5.459851 4.955505 4.584982 3.872018 2.437476 4.799743 1.392866 2.774153 4.070807 5.188946 0.000000 4.546752 6.381919 2.771541 5.176212 4.087861 3.894300 2.993042 7.459098 7.119553 7.841150 7.730108 7.520258 6.072721 5.634439 5.076931 3.767569 2.444332 5.029612 2.794470 1.384957 4.803804 4.746122 2.425531 0.000000 3.968436 6.644772 1.806921 5.338412 4.932327 2.651307 2.648302 7.574141 7.176151 8.048883 7.562950 7.307828 6.293140 5.791084 5.346042 4.298825 2.795231 5.303598 2.396241 2.382221 4.724144 5.334523 1.386808 1.390990 0.000000 3.975942 4.065873 5.176711 6.357430 4.710104 5.136301 5.513983 6.084876 7.010659 7.220245 6.211227 6.829383 4.799673 5.977685 4.769830 4.169995 3.602179 2.413301 3.440527 3.973255 1.392873 2.794376 3.689045 4.202558 4.051840 0.000000 5.423332 4.072237 6.026760 6.586895 3.740403 6.510839 5.915465 6.422824 7.412354 7.351265 7.091228 7.704612 4.964586 6.239865 4.878534 3.877654 3.757297 2.410030 4.436069 3.590947 2.789644 1.392106 4.897700 4.145100 4.754367 2.415547 0.000000 4.957680 4.582509 5.125465 6.784647 4.518847 5.389690 5.102939 6.803272 7.683837 7.822242 7.177625 7.745841 5.386116 6.507534 5.240395 4.308211 3.754737 2.784172 3.999492 3.654799 2.413968 2.417032 4.155652 3.830155 4.063517 1.393689 1.395092 0.000000 6.054051 9.393786 1.808110 7.020151 7.379168 2.654416 2.654612 9.972499 9.103924 10.229197 9.780885 9.211002 8.829754 7.794760 7.741374 6.784030 5.327393 8.129056 4.803652 4.788245 7.479023 8.141097 3.607934 3.602179 2.835018 6.734619 7.468278 6.723010 0.000000 5.252562 2.656800 10.096489 5.115757 5.026293 10.226277 10.834702 1.091938 3.358669 2.210162 2.212937 3.393181 2.152772 3.895962 3.359987 4.648982 5.827916 4.380207 6.113705 7.024896 5.069272 5.342235 7.451271 8.220282 8.383652 6.441024 6.656707 7.126527 10.885285 0.000000 4.822152 5.629990 9.309686 2.530082 5.219850 9.630168 10.298960 3.368015 1.089964 2.227853 3.414938 2.219044 3.881510 2.122761 3.427612 4.599572 5.418330 6.549894 5.562967 6.566040 6.925734 7.318869 6.769571 7.620706 7.688201 7.950344 8.298797 8.579301 9.364790 4.295866 0.000000 5.573201 4.094446 9.946323 3.671674 4.209554 10.380107 10.663731 2.204385 2.212796 1.091971 3.413693 3.409345 2.708311 2.715425 2.904685 4.071388 5.431480 5.395108 6.035362 6.465204 6.243668 5.967901 7.415479 7.769280 8.162313 7.420333 7.193617 7.836791 10.371140 2.660871 2.685412 0.000000 5.854534 4.787488 10.790611 4.454686 5.718655 11.022284 11.667396 2.177855 2.179648 1.094159 2.726363 2.716302 3.446237 3.450314 3.896619 5.314802 6.493256 6.271976 6.766760 7.699759 6.887460 7.121836 8.112887 8.910077 9.069811 8.163300 8.363498 8.824101 11.187482 2.514777 2.547787 1.775802 0.000000 3.231698 3.324777 8.516939 4.578505 5.433396 8.344874 9.501048 2.204772 3.244011 3.351014 1.091050 2.219405 2.601686 3.569262 3.262038 4.501409 5.028906 4.255436 4.662253 6.407683 4.142409 5.570569 5.796985 7.288162 7.003358 5.385307 6.544483 6.466510 9.276288 2.745314 4.223959 4.242938 3.787607 0.000000 4.809456 4.257235 10.163695 5.269194 6.430039 10.031536 11.160993 2.182313 3.212934 2.908673 1.092375 2.198800 3.415558 4.186328 4.216537 5.657957 6.441965 5.612143 6.222871 7.816160 5.743647 6.846139 7.415764 8.806568 8.608059 7.051809 7.972712 8.061925 10.799761 2.398712 3.999556 3.929451 2.804860 1.759953 0.000000 4.586802 5.615302 9.781386 4.128153 6.517617 9.743460 10.914829 3.186028 2.171104 2.878354 2.192575 1.092368 4.160269 3.420788 4.248346 5.645201 6.264105 6.675135 5.962338 7.616152 6.736124 7.788066 7.083441 8.533779 8.278177 7.870042 8.787232 8.821010 10.028588 3.950134 2.407939 3.905585 2.767718 2.954965 2.333907 0.000000 2.882114 5.008104 8.050455 3.181215 5.574357 7.986341 9.213312 3.249071 2.209209 3.352203 2.221139 1.090247 3.574632 2.632257 3.337293 4.516620 4.816507 5.638372 4.311782 6.179986 5.481919 6.749928 5.360340 6.966109 6.593892 6.459128 7.565136 7.433813 8.344310 4.223997 2.734645 4.253017 3.780399 2.406232 2.946914 1.757405 0.000000 4.918611 5.362736 4.917683 4.488533 2.300879 5.970652 4.989026 6.457410 6.272146 6.690591 7.133243 7.025600 5.031324 4.780755 4.062660 2.568253 2.128580 4.298517 3.370689 1.082008 4.694620 3.728129 3.855812 2.146716 3.372325 4.542094 3.546945 3.983261 5.585108 7.120007 6.783072 6.365596 7.780654 6.913121 8.198969 8.057342 6.768957 0.000000 3.025168 2.887045 6.472539 5.640052 4.793863 6.253756 7.157879 4.431315 5.612715 5.739832 4.294998 5.129958 3.488119 4.960293 3.847044 3.983600 3.884650 2.151772 3.496234 4.871535 1.082172 3.402728 4.233308 5.439173 5.141996 2.153315 3.871799 3.397096 7.762971 4.754027 6.632955 6.176560 6.543578 3.370640 5.026607 6.096676 4.865782 5.468075 0.000000 5.750175 2.908537 7.643687 6.051213 2.858507 8.199041 7.683231 5.198230 6.437599 6.007375 6.253304 6.973145 3.860122 5.470824 4.052191 3.380459 4.101439 2.150952 5.085081 4.274082 3.402510 1.082342 6.002883 5.327094 6.089191 3.876323 2.155010 3.400850 8.843796 5.252198 7.321543 5.656790 6.960699 5.986458 7.053575 7.999408 7.134984 3.908173 4.292450 0.000000 2.763039 6.494723 2.877610 5.229008 5.759852 2.566418 4.186856 7.036292 6.620196 7.632786 6.596614 6.312527 6.028770 5.523198 5.257769 4.763102 3.417610 5.423469 2.154292 3.855727 4.485810 5.971438 1.082043 3.402766 2.147320 4.086244 5.677883 4.764935 3.660312 7.881411 7.166559 8.029757 8.528962 5.907003 7.541301 7.178738 5.422214 4.937227 4.433804 6.851870 0.000000 5.627807 7.207774 2.900932 6.067178 4.715155 4.218944 2.608691 8.410849 8.080857 8.758162 8.761913 8.558821 6.991617 6.574930 6.005994 4.614419 3.427666 5.784418 3.876720 2.156971 5.628023 5.284487 3.402595 1.082603 2.151395 4.889626 4.499707 4.260314 3.645918 9.136853 8.545348 8.602551 9.837319 8.333162 9.839578 9.571281 8.026143 2.497653 6.350992 5.784173 4.290534 0.000000 4.030304 4.913622 4.817944 6.831206 5.601892 4.498251 5.261060 6.716262 7.517465 7.864997 6.611118 7.163023 5.532505 6.524690 5.457566 4.932057 4.143014 3.394804 3.630068 4.512058 2.147683 3.878055 3.549228 4.464138 3.987521 1.083696 3.398802 2.153057 6.431641 7.119450 8.430039 8.170041 8.772562 5.690789 7.416342 8.158922 6.660888 5.234262 2.478278 4.959917 3.673657 5.148228 0.000000 6.358417 4.923928 6.334306 7.206828 4.099383 6.977144 5.984391 7.254905 8.174073 8.078342 8.033144 8.598362 5.785941 6.947236 5.625767 4.487387 4.380056 3.391286 5.206825 3.899057 3.873417 2.145313 5.571131 4.365500 5.184883 3.398325 1.083780 2.153864 7.737240 7.464822 9.007356 7.801523 9.102243 7.548735 8.922902 9.681928 8.482263 3.615251 4.955568 2.478550 6.412184 4.469121 4.295402 0.000000 5.640190 5.666295 4.712348 7.523881 5.312545 4.991413 4.455440 7.847385 8.607258 8.829507 8.168241 8.663084 6.421285 7.369498 6.176335 5.136817 4.373417 3.867855 4.531651 3.999704 3.395251 3.398278 4.365665 3.815419 4.001808 2.150292 2.153012 1.083847 6.403148 8.200455 9.461836 8.834421 9.844978 7.428127 9.064413 9.735547 8.271950 4.345893 4.292160 4.296220 4.912133 4.025869 2.479145 2.482020 0.000000 6.364494 9.424158 2.389623 6.814364 7.033975 3.559430 2.839313 9.985689 9.038258 10.130172 9.940565 9.328541 8.805668 7.668069 7.642053 6.581083 5.207007 8.188407 4.957397 4.478998 7.712754 8.065718 3.954293 3.342894 2.998749 7.017888 7.411148 6.847788 1.089009 10.903126 9.243263 10.164148 11.110839 9.525941 10.991484 10.161464 8.536038 5.119679 8.094062 8.659456 4.264490 3.203002 6.873193 7.569642 6.554065 0.000000 5.511146 9.207164 2.389610 6.498837 7.349210 2.838691 3.559494 9.523821 8.511717 9.730479 9.206126 8.532957 8.498546 7.298727 7.400508 6.620629 5.200585 8.091181 4.493110 4.932512 7.401395 8.272663 3.356945 3.943623 3.000647 6.812661 7.754986 7.000801 1.089019 10.480734 8.720452 9.955228 10.636513 8.729103 10.195031 9.284298 7.614979 5.813623 7.547379 8.986775 3.235739 4.243984 6.479891 8.146801 6.820754 1.802876 0.000000 6.997157 10.377563 2.353361 8.090497 8.429633 2.899121 2.899044 11.010246 10.154527 11.294624 10.769939 10.206320 9.870033 8.866401 8.807361 7.848303 6.377925 9.055663 5.811752 5.799981 8.336962 9.047286 4.547877 4.546483 3.773933 7.496310 8.283761 7.461363 1.090326 11.914900 10.406662 11.454120 12.244207 10.226358 11.771442 11.001919 9.307186 6.568526 8.609848 9.778387 4.456783 4.450099 7.096975 8.510550 7.024329 1.794943 1.795100 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3712,-1.3261,1.4737;2.948,2.1121,.4224;-4.85,-.7338,.2546;1.6577,-2.4937,-1.54;1.0763,.8581,-2.4209;-4.8945,-.8631,1.7156;-5.6364,.2894,-.443;4.4237,-.165,.3323;3.8269,-2.2807,-.516;4.8835,-1.1839,-.7216;4.1987,-1.0489,1.5971;3.8125,-2.4452,1.0335;3.0983,.4347,-.1066;2.4781,-1.7683,-.9989;2.1944,-.3353,-.759;.9486,.1763,-1.4231;-.4407,-.1565,-.93;1.1922,2.5027,.4258;-.7944,-.7775,.2794;-1.4844,.2728,-1.7663;.4052,2.1071,1.5109;.6358,3.2536,-.6128;-2.129,-.9561,.6358;-2.8183,.104,-1.434;-3.122,-.5128,-.2248;-.9512,2.423,1.532;-.7185,3.574,-.5789;-1.5147,3.1511,.4857;-5.2766,-2.3407,-.4562;5.1507,.6294,.5135;4.029,-3.2173,-1.0356;4.8955,-.7731,-1.7333;5.8835,-1.5594,-.4847;3.4302,-.6259,2.2458;5.1237,-1.0997,2.1759;4.5577,-3.1932,1.3134;2.8469,-2.7997,1.3947;-1.207,.7652,-2.689;.8479,1.5392,2.3188;1.2498,3.5432,-1.4558;-2.3885,-1.4017,1.5871;-3.6101,.4685,-2.0761;-1.5671,2.0943,2.3609;-1.1551,4.14,-1.3936;-2.573,3.3847,.4983;-5.1535,-2.2858,-1.5368;-4.6306,-3.098,-.0146;-6.3197,-2.5167,-.192; 0.2648613 0.1033642 0.0891256 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= 776 RedAO= T EigKep= 1.45D-06 NBF= 776 NBsUse= 770 1.00D-06 EigRej= 9.42D-07 NBFU= 770 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= 792 792 792 792 792 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2407.62379425279 -2407.62379425302 -0.000000000231 -2407.62379425 2 2.400654610811e+03 -1.260206778739e+04 4.326690452870e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323309675 LenY= 11322660845 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. PT885.900S 2023-04-16T02:06:39.000 -101.57478 -89.06340 -88.88251 -19.13418 -19.12697 -19.12692 -19.11328 -10.29087 -10.27399 -10.26568 -10.24520 -10.23735 -10.22649 -10.22544 -10.22405 -10.22042 -10.21442 -10.21150 -10.20858 -10.19944 -10.19856 -10.19822 -10.19624 -10.19445 -10.19421 -10.19262 -10.18950 -10.18901 -10.18729 -9.49019 -8.12768 -7.96834 -7.25478 -7.24500 -7.24443 -6.09013 -6.08945 -6.08890 -5.93220 -5.92787 -5.92284 -1.12247 -1.07194 -1.04676 -1.01874 -0.92626 -0.89957 -0.88475 -0.87325 -0.83296 -0.81615 -0.79228 -0.78447 -0.77191 -0.77099 -0.76402 -0.73496 -0.72569 -0.69650 -0.65549 -0.64273 -0.63000 -0.62900 -0.61501 -0.60352 -0.58926 -0.57633 -0.55550 -0.53994 -0.53385 -0.51670 -0.51493 -0.49896 -0.49213 -0.48808 -0.48286 -0.47957 -0.47921 -0.47368 -0.46695 -0.46184 -0.45969 -0.45688 -0.44881 -0.44534 -0.44357 -0.44060 -0.43649 -0.42360 -0.40799 -0.40097 -0.39732 -0.39286 -0.38694 -0.38331 -0.37382 -0.37185 -0.36717 -0.36609 -0.35875 -0.35625 -0.35038 -0.34848 -0.34456 -0.33754 -0.33482 -0.31910 -0.31498 -0.30857 -0.29693 -0.28494 -0.28423 -0.27667 -0.27300 -0.25562 -0.24421 -0.09979 -0.06934 -0.05118 -0.04851 -0.03327 -0.01674 -0.01566 -0.00976 -0.00603 0.00055 0.01190 0.01458 0.01856 0.01880 0.02289 0.02684 0.02903 0.03376 0.03463 0.03811 0.04116 0.04322 0.04551 0.05005 0.05036 0.05344 0.05617 0.06216 0.06288 0.06570 0.06760 0.06910 0.07703 0.08071 0.08103 0.08433 0.08813 0.09021 0.09304 0.09372 0.09567 0.09910 0.10407 0.10617 0.10983 0.11093 0.11305 0.11790 0.11980 0.12136 0.12278 0.12646 0.12974 0.13082 0.13363 0.13712 0.13829 0.13896 0.14336 0.14635 0.14793 0.15112 0.15450 0.15645 0.15713 0.15758 0.16296 0.16430 0.16706 0.17001 0.17217 0.17369 0.17755 0.17868 0.18089 0.18334 0.18519 0.18829 0.18965 0.19136 0.19488 0.19561 0.19702 0.20187 0.20267 0.20380 0.20450 0.20839 0.21091 0.21245 0.21597 0.21850 0.22231 0.22417 0.22642 0.22852 0.23110 0.23315 0.23461 0.23753 0.24019 0.24199 0.24318 0.24417 0.24816 0.25004 0.25313 0.25579 0.25804 0.25917 0.26279 0.26358 0.26521 0.26755 0.26900 0.27590 0.27855 0.28043 0.28074 0.28544 0.28823 0.28926 0.29290 0.29330 0.29946 0.30119 0.30371 0.30570 0.30845 0.31362 0.31536 0.31633 0.31950 0.32317 0.32727 0.33234 0.33611 0.33856 0.34042 0.34350 0.34518 0.34713 0.34873 0.35141 0.35763 0.35970 0.36013 0.36194 0.36437 0.37162 0.37622 0.38124 0.38362 0.38695 0.38940 0.39457 0.39704 0.39963 0.40592 0.40804 0.41601 0.41683 0.41997 0.43081 0.43577 0.44165 0.44354 0.44940 0.45300 0.46666 0.46851 0.48294 0.48421 0.48991 0.49379 0.49952 0.50150 0.50442 0.51342 0.51982 0.52223 0.52827 0.53004 0.53947 0.54215 0.54691 0.55289 0.55401 0.56119 0.56949 0.57120 0.57695 0.58979 0.59624 0.60020 0.60822 0.61054 0.61225 0.61706 0.61869 0.62382 0.63146 0.63638 0.63859 0.64094 0.64364 0.64904 0.65504 0.65828 0.66262 0.66319 0.66576 0.66757 0.67450 0.67628 0.68004 0.68199 0.68773 0.69191 0.69493 0.70172 0.70466 0.70657 0.71026 0.71264 0.71610 0.71796 0.71983 0.72599 0.72706 0.72987 0.73220 0.73827 0.74088 0.74439 0.74873 0.75040 0.75606 0.75804 0.76222 0.76993 0.77060 0.77872 0.78430 0.78873 0.79966 0.80601 0.81188 0.81415 0.81951 0.82173 0.82893 0.83459 0.83838 0.84368 0.84942 0.85482 0.85902 0.86271 0.86950 0.87460 0.88304 0.88576 0.89294 0.89601 0.90103 0.90491 0.92909 0.92987 0.93541 0.94569 0.94866 0.95297 0.95983 0.96637 0.97331 0.97851 0.98171 0.99212 0.99892 1.00897 1.01367 1.01960 1.02263 1.02531 1.03707 1.04381 1.04682 1.05651 1.06307 1.06591 1.07583 1.08816 1.09024 1.09578 1.10568 1.11388 1.12555 1.13035 1.13145 1.13895 1.14040 1.15302 1.16063 1.16762 1.17442 1.17701 1.18709 1.19147 1.19311 1.19970 1.20503 1.20848 1.21483 1.22741 1.23229 1.24614 1.24681 1.25752 1.26165 1.27210 1.28341 1.28491 1.29610 1.29785 1.30703 1.31348 1.32329 1.33088 1.33912 1.35143 1.35377 1.36980 1.37685 1.40139 1.40581 1.41124 1.42223 1.43865 1.44608 1.47311 1.48187 1.48921 1.49643 1.50132 1.50947 1.51343 1.52383 1.52452 1.53269 1.53328 1.53863 1.54568 1.55230 1.55523 1.56799 1.58080 1.58413 1.59571 1.60103 1.60548 1.60909 1.61189 1.61882 1.62576 1.62843 1.64010 1.64549 1.65020 1.65517 1.65824 1.67047 1.67505 1.67955 1.68261 1.69234 1.69516 1.70098 1.70992 1.71314 1.72668 1.73394 1.73581 1.74551 1.75291 1.75688 1.76466 1.76802 1.77739 1.78318 1.79209 1.80087 1.80450 1.81376 1.82458 1.83240 1.83523 1.84768 1.85402 1.85609 1.86689 1.87320 1.88021 1.88894 1.89445 1.90099 1.90577 1.91326 1.91709 1.92584 1.92925 1.93605 1.94383 1.94465 1.95357 1.95972 1.96322 1.97138 1.98445 1.99257 1.99559 2.00264 2.00368 2.01488 2.01736 2.02591 2.03387 2.03941 2.04622 2.06081 2.06770 2.07348 2.07889 2.09346 2.09641 2.10366 2.11048 2.13184 2.14000 2.14517 2.17857 2.18317 2.19158 2.20246 2.20522 2.21173 2.22759 2.23760 2.24628 2.27707 2.28017 2.29136 2.29544 2.31421 2.32172 2.32791 2.33825 2.35591 2.36260 2.38233 2.39514 2.40837 2.41593 2.42457 2.44012 2.44804 2.45481 2.46581 2.48889 2.49100 2.49353 2.50232 2.50944 2.51994 2.52750 2.53327 2.54729 2.56844 2.57450 2.58786 2.60455 2.61117 2.61836 2.62275 2.62668 2.64874 2.66657 2.68157 2.69636 2.70096 2.72122 2.73434 2.73915 2.74737 2.75322 2.76398 2.76424 2.77080 2.78135 2.78481 2.79592 2.79988 2.80791 2.80887 2.82573 2.82850 2.83473 2.83545 2.83757 2.84226 2.84571 2.85165 2.85411 2.86796 2.87495 2.87787 2.88891 2.89186 2.89933 2.90678 2.91433 2.91864 2.92597 2.93926 2.94058 2.94620 2.95130 2.96206 2.96874 2.97496 2.98639 2.99362 2.99691 3.01328 3.01621 3.03128 3.03830 3.06127 3.06461 3.08244 3.09999 3.10753 3.12218 3.14532 3.15510 3.17309 3.19611 3.20088 3.21620 3.23715 3.25620 3.26737 3.28336 3.30658 3.32608 3.35167 3.36528 3.37891 3.38858 3.39754 3.42671 3.43258 3.46453 3.51047 3.51736 3.52807 3.55404 3.56392 3.57451 3.58435 3.58583 3.62434 3.63215 3.65848 3.71294 3.71474 3.73144 3.75325 3.78164 3.80045 3.85015 3.88411 3.93950 3.98000 4.01441 4.03650 4.07011 4.08871 4.10363 4.12978 4.13747 4.14326 4.14785 4.20277 4.25801 4.28795 4.30040 4.40421 4.45451 4.81577 4.82561 5.03531 5.04407 5.09972 5.11623 5.13918 5.16215 5.17132 5.26853 5.28068 5.29599 5.78277 5.79459 8.05134 8.15394 9.93656 17.33989 17.41037 17.41236 17.54859 17.55358 17.60051 23.54987 23.61322 23.66482 23.81821 23.83188 23.86746 23.89979 23.90648 23.93748 23.94341 23.95152 23.96706 23.97232 23.97963 24.01082 24.03443 24.06246 24.06592 24.08380 24.14942 24.16621 24.17847 26.14937 26.57600 26.94669 49.87944 49.92326 50.00791 50.07357 189.23890 189.26957 215.95818 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 S O O O O C C C C C C 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 H 0.087793 0.320241 1.081623 -0.252061 -0.132774 -0.144181 -0.135525 0.464936 0.424789 -0.894226 -0.350305 -0.453687 -0.296869 -0.788775 0.468048 -0.106906 0.593942 0.895999 -0.251140 -0.327072 -0.663034 -0.262432 -0.596341 -0.864169 0.498436 -0.272339 -0.508996 -0.003745 -0.681582 0.155594 0.163505 0.157708 0.153613 0.161874 0.151783 0.157010 0.164884 0.158664 0.161727 0.154205 0.182102 0.168765 0.133023 0.136202 0.138548 0.209981 0.210185 0.230978 -0.00000 2.8811 -1.1600 0.5343 3.1515 -187.5132 -187.8939 -197.5036 6.7203 17.1469 -4.2286 3.4570 3.0764 -6.5334 6.7203 17.1469 -4.2286 175.1340 -14.5999 7.6959 -57.0214 -127.4984 -47.8856 -7.3047 4.7243 -2.0165 -21.2276 -11451.9941 -3812.1505 -1676.2735 352.7544 239.2411 44.0637 -142.6616 78.5136 -17.6171 -2259.5138 -2246.0584 -923.6879 71.9095 27.7924 -33.6006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2023-04-16T00:00:00.000 0 Wavefunction benzobicyclon CONF5 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2407.6237943 RMSD=5.157e-10 Dipole=-0.632613,1.052334,-0.1724273 Quadrupole=8.8932998,3.018584,-11.9118839,-1.9695785,-6.3501359,7.4720312 PG=C01 [X(C22H19Cl1O4S2)] 0 0.3201314507 1.7174644596 1.04588972 0 -3.6898446675 0.2025270736 -0.0458167637 0 4.1834331725 -2.0351586574 1.3473029424 0 0.3461222009 2.4665943651 -2.3509999017 0 -1.1521383549 -0.7097540376 -2.4723081915 0 4.1413807309 -1.5345315329 2.7259216186 0 4.2493514521 -3.4724905117 1.061417231 0 -3.4461509918 2.7681760342 -0.8995712295 0 -1.5946843312 3.8214090874 -1.9069539603 0 -3.071704167 3.5080217181 -2.1929583948 0 -2.8644738768 3.6936957027 0.2125034844 0 -1.6482317072 4.3919867756 -0.4579039565 0 -2.7262630323 1.4304097865 -0.8704271553 0 -0.7983786916 2.525135875 -1.9281954155 0 -1.4771226306 1.3269065786 -1.3848273246 0 -0.741786959 0.0364137352 -1.6052594618 0 0.4986468793 -0.3446057563 -0.8305748096 0 -2.5517595093 -1.0869509554 0.4807759899 0 1.0265072072 0.2890241896 0.3066112572 0 1.1441884743 -1.5078678875 -1.2813483351 0 -1.8085743809 -0.9078798674 1.6507419555 0 -2.4634356009 -2.2836522987 -0.2350809037 0 2.1443847833 -0.2202957406 0.9631318978 0 2.2581009872 -2.0313569527 -0.6463170611 0 2.7441200705 -1.3729741636 0.4784805352 0 -0.9399908408 -1.9096685977 2.0774478508 0 -1.6006129531 -3.2839897787 0.2040322912 0 -0.8312752302 -3.0949080144 1.352357343 0 5.5758020698 -1.2396340079 0.5120120565 0 -4.5211080217 2.6158670963 -0.7829567813 0 -1.1254336893 4.5081758287 -2.6113522058 0 -3.2242015719 2.902312361 -3.0886489343 0 -3.6518738162 4.4304466805 -2.291544138 0 -2.5894344648 3.1229145293 1.1007333986 0 -3.6207653263 4.4223437813 0.5131318979 0 -1.805460235 5.4716286996 -0.5119488842 0 -0.7127441922 4.2277963828 0.0773941223 0 0.7241522557 -2.0013737798 -2.1478138481 0 -1.8949305654 0.0159171197 2.2077329016 0 -3.0319848663 -2.4075846838 -1.147691127 0 2.518728421 0.2553673511 1.8600317002 0 2.7248799289 -2.9460832484 -0.9889855893 0 -0.3445187242 -1.7606573412 2.9705351904 0 -1.5171323389 -4.2048330924 -0.3613507855 0 -0.1452857077 -3.8676730466 1.6794297666 0 5.5610491972 -1.5276008042 -0.5381302449 0 5.4848266602 -0.1615174773 0.6359094011 0 6.4733431067 -1.6136821856 1.0052850158 Gaussian 16 16-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C22H19ClO4S2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; oldchk=/home/apulgar/almacen/pesticidas/27_herbicides/benzobicyclon/gaussian/ga #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 benzobicyclon CONF5 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 32 16 16 16 16 12 12 12 12 12 12 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 1 34.9688527 31.9720718 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 3 0 0 0 0 0 0 0 0 0 0 0 0 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 1 14.2400000 13.6000000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 805 A 776 A 776 1241 805 116 116 3467.1736437934 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 -0.0747143345 0.000000 4.423434 0.000000 5.394268 8.302802 0.000000 3.478610 5.170000 6.976258 0.000000 4.520695 3.627681 6.694360 3.514070 0.000000 5.291496 8.486931 1.467305 7.495874 7.464797 0.000000 6.509581 8.818308 1.466969 7.883687 7.021112 2.556935 0.000000 4.367344 2.714929 9.291449 4.071724 4.453313 9.446064 10.100107 0.000000 4.100291 4.577099 8.847385 2.408201 4.587691 9.113291 9.806373 2.356279 0.000000 5.020038 3.989813 9.792718 3.576463 4.642456 10.082228 10.626211 1.536370 1.536749 0.000000 3.839497 3.596696 9.153171 4.287803 5.434213 9.095803 10.133183 1.559373 2.474020 2.421501 0.000000 3.645397 4.678629 8.864270 3.356843 5.507422 8.875809 9.946850 2.462589 1.558259 2.412070 1.554446 0.000000 3.610428 1.765267 8.041915 3.564453 3.102288 8.299948 8.742405 1.519443 2.841080 2.486944 2.512828 3.178563 0.000000 3.278503 4.159139 7.506239 1.221504 3.299351 7.908409 8.389808 2.850936 1.521472 2.490818 3.196384 2.523715 2.456428 0.000000 3.048121 2.820163 7.128107 2.357244 2.331569 7.526863 7.861986 2.487932 2.551270 2.820112 3.174571 3.206740 1.354870 1.480438 0.000000 3.313939 3.339236 6.104656 2.765041 1.215289 6.713593 6.658456 3.908210 3.891612 4.222081 4.602801 4.594462 2.534038 2.510225 1.501559 0.000000 2.793765 4.296354 4.602040 3.199657 2.356632 5.228202 5.237469 5.025495 4.785009 5.426438 5.357842 5.213759 3.681347 3.335036 2.646661 1.511287 0.000000 4.053623 1.798692 6.856587 5.389282 3.289669 7.073834 7.230702 4.191336 5.541592 5.341626 4.798369 5.631717 2.862395 4.682377 3.234506 2.981525 3.402308 0.000000 1.756685 4.730292 4.055989 3.502518 3.669666 4.345211 5.010534 5.254117 4.924252 5.779717 5.171110 4.957117 4.095298 3.650310 3.194734 2.616472 1.404748 3.837660 0.000000 4.061758 5.274454 4.052758 4.192543 2.707118 5.004207 4.357790 6.285024 6.024450 6.615431 6.734778 6.579054 4.876754 4.522952 3.862373 2.458989 1.404671 4.116101 2.400893 0.000000 3.433609 2.765952 6.104669 5.660718 4.179678 6.078706 6.604771 4.764362 5.921919 5.989133 4.935378 5.706197 3.558939 5.061115 3.784021 3.554050 3.434746 1.397573 3.358118 4.204277 0.000000 5.039649 2.778667 6.837145 5.910632 3.033454 7.276834 6.939435 5.189243 6.389183 6.143839 6.007483 6.728920 3.777168 5.363161 3.915465 3.197526 3.590048 1.397264 4.369416 3.835553 2.424442 0.000000 2.662642 5.935907 2.756634 4.629967 4.786322 2.970292 3.875218 6.607172 6.209139 7.146247 6.400893 6.138113 5.459851 4.955505 4.584982 3.872018 2.437476 4.799743 1.392866 2.774153 4.070807 5.188946 0.000000 4.546752 6.381919 2.771541 5.176212 4.087861 3.894300 2.993042 7.459098 7.119553 7.841150 7.730108 7.520258 6.072721 5.634439 5.076931 3.767569 2.444332 5.029612 2.794470 1.384957 4.803804 4.746122 2.425531 0.000000 3.968436 6.644772 1.806921 5.338412 4.932327 2.651307 2.648302 7.574141 7.176151 8.048883 7.562950 7.307828 6.293140 5.791084 5.346042 4.298825 2.795231 5.303598 2.396241 2.382221 4.724144 5.334523 1.386808 1.390990 0.000000 3.975942 4.065873 5.176711 6.357430 4.710104 5.136301 5.513983 6.084876 7.010659 7.220245 6.211227 6.829383 4.799673 5.977685 4.769830 4.169995 3.602179 2.413301 3.440527 3.973255 1.392873 2.794376 3.689045 4.202558 4.051840 0.000000 5.423332 4.072237 6.026760 6.586895 3.740403 6.510839 5.915465 6.422824 7.412354 7.351265 7.091228 7.704612 4.964586 6.239865 4.878534 3.877654 3.757297 2.410030 4.436069 3.590947 2.789644 1.392106 4.897700 4.145100 4.754367 2.415547 0.000000 4.957680 4.582509 5.125465 6.784647 4.518847 5.389690 5.102939 6.803272 7.683837 7.822242 7.177625 7.745841 5.386116 6.507534 5.240395 4.308211 3.754737 2.784172 3.999492 3.654799 2.413968 2.417032 4.155652 3.830155 4.063517 1.393689 1.395092 0.000000 6.054051 9.393786 1.808110 7.020151 7.379168 2.654416 2.654612 9.972499 9.103924 10.229197 9.780885 9.211002 8.829754 7.794760 7.741374 6.784030 5.327393 8.129056 4.803652 4.788245 7.479023 8.141097 3.607934 3.602179 2.835018 6.734619 7.468278 6.723010 0.000000 5.252562 2.656800 10.096489 5.115757 5.026293 10.226277 10.834702 1.091938 3.358669 2.210162 2.212937 3.393181 2.152772 3.895962 3.359987 4.648982 5.827916 4.380207 6.113705 7.024896 5.069272 5.342235 7.451271 8.220282 8.383652 6.441024 6.656707 7.126527 10.885285 0.000000 4.822152 5.629990 9.309686 2.530082 5.219850 9.630168 10.298960 3.368015 1.089964 2.227853 3.414938 2.219044 3.881510 2.122761 3.427612 4.599572 5.418330 6.549894 5.562967 6.566040 6.925734 7.318869 6.769571 7.620706 7.688201 7.950344 8.298797 8.579301 9.364790 4.295866 0.000000 5.573201 4.094446 9.946323 3.671674 4.209554 10.380107 10.663731 2.204385 2.212796 1.091971 3.413693 3.409345 2.708311 2.715425 2.904685 4.071388 5.431480 5.395108 6.035362 6.465204 6.243668 5.967901 7.415479 7.769280 8.162313 7.420333 7.193617 7.836791 10.371140 2.660871 2.685412 0.000000 5.854534 4.787488 10.790611 4.454686 5.718655 11.022284 11.667396 2.177855 2.179648 1.094159 2.726363 2.716302 3.446237 3.450314 3.896619 5.314802 6.493256 6.271976 6.766760 7.699759 6.887460 7.121836 8.112887 8.910077 9.069811 8.163300 8.363498 8.824101 11.187482 2.514777 2.547787 1.775802 0.000000 3.231698 3.324777 8.516939 4.578505 5.433396 8.344874 9.501048 2.204772 3.244011 3.351014 1.091050 2.219405 2.601686 3.569262 3.262038 4.501409 5.028906 4.255436 4.662253 6.407683 4.142409 5.570569 5.796985 7.288162 7.003358 5.385307 6.544483 6.466510 9.276288 2.745314 4.223959 4.242938 3.787607 0.000000 4.809456 4.257235 10.163695 5.269194 6.430039 10.031536 11.160993 2.182313 3.212934 2.908673 1.092375 2.198800 3.415558 4.186328 4.216537 5.657957 6.441965 5.612143 6.222871 7.816160 5.743647 6.846139 7.415764 8.806568 8.608059 7.051809 7.972712 8.061925 10.799761 2.398712 3.999556 3.929451 2.804860 1.759953 0.000000 4.586802 5.615302 9.781386 4.128153 6.517617 9.743460 10.914829 3.186028 2.171104 2.878354 2.192575 1.092368 4.160269 3.420788 4.248346 5.645201 6.264105 6.675135 5.962338 7.616152 6.736124 7.788066 7.083441 8.533779 8.278177 7.870042 8.787232 8.821010 10.028588 3.950134 2.407939 3.905585 2.767718 2.954965 2.333907 0.000000 2.882114 5.008104 8.050455 3.181215 5.574357 7.986341 9.213312 3.249071 2.209209 3.352203 2.221139 1.090247 3.574632 2.632257 3.337293 4.516620 4.816507 5.638372 4.311782 6.179986 5.481919 6.749928 5.360340 6.966109 6.593892 6.459128 7.565136 7.433813 8.344310 4.223997 2.734645 4.253017 3.780399 2.406232 2.946914 1.757405 0.000000 4.918611 5.362736 4.917683 4.488533 2.300879 5.970652 4.989026 6.457410 6.272146 6.690591 7.133243 7.025600 5.031324 4.780755 4.062660 2.568253 2.128580 4.298517 3.370689 1.082008 4.694620 3.728129 3.855812 2.146716 3.372325 4.542094 3.546945 3.983261 5.585108 7.120007 6.783072 6.365596 7.780654 6.913121 8.198969 8.057342 6.768957 0.000000 3.025168 2.887045 6.472539 5.640052 4.793863 6.253756 7.157879 4.431315 5.612715 5.739832 4.294998 5.129958 3.488119 4.960293 3.847044 3.983600 3.884650 2.151772 3.496234 4.871535 1.082172 3.402728 4.233308 5.439173 5.141996 2.153315 3.871799 3.397096 7.762971 4.754027 6.632955 6.176560 6.543578 3.370640 5.026607 6.096676 4.865782 5.468075 0.000000 5.750175 2.908537 7.643687 6.051213 2.858507 8.199041 7.683231 5.198230 6.437599 6.007375 6.253304 6.973145 3.860122 5.470824 4.052191 3.380459 4.101439 2.150952 5.085081 4.274082 3.402510 1.082342 6.002883 5.327094 6.089191 3.876323 2.155010 3.400850 8.843796 5.252198 7.321543 5.656790 6.960699 5.986458 7.053575 7.999408 7.134984 3.908173 4.292450 0.000000 2.763039 6.494723 2.877610 5.229008 5.759852 2.566418 4.186856 7.036292 6.620196 7.632786 6.596614 6.312527 6.028770 5.523198 5.257769 4.763102 3.417610 5.423469 2.154292 3.855727 4.485810 5.971438 1.082043 3.402766 2.147320 4.086244 5.677883 4.764935 3.660312 7.881411 7.166559 8.029757 8.528962 5.907003 7.541301 7.178738 5.422214 4.937227 4.433804 6.851870 0.000000 5.627807 7.207774 2.900932 6.067178 4.715155 4.218944 2.608691 8.410849 8.080857 8.758162 8.761913 8.558821 6.991617 6.574930 6.005994 4.614419 3.427666 5.784418 3.876720 2.156971 5.628023 5.284487 3.402595 1.082603 2.151395 4.889626 4.499707 4.260314 3.645918 9.136853 8.545348 8.602551 9.837319 8.333162 9.839578 9.571281 8.026143 2.497653 6.350992 5.784173 4.290534 0.000000 4.030304 4.913622 4.817944 6.831206 5.601892 4.498251 5.261060 6.716262 7.517465 7.864997 6.611118 7.163023 5.532505 6.524690 5.457566 4.932057 4.143014 3.394804 3.630068 4.512058 2.147683 3.878055 3.549228 4.464138 3.987521 1.083696 3.398802 2.153057 6.431641 7.119450 8.430039 8.170041 8.772562 5.690789 7.416342 8.158922 6.660888 5.234262 2.478278 4.959917 3.673657 5.148228 0.000000 6.358417 4.923928 6.334306 7.206828 4.099383 6.977144 5.984391 7.254905 8.174073 8.078342 8.033144 8.598362 5.785941 6.947236 5.625767 4.487387 4.380056 3.391286 5.206825 3.899057 3.873417 2.145313 5.571131 4.365500 5.184883 3.398325 1.083780 2.153864 7.737240 7.464822 9.007356 7.801523 9.102243 7.548735 8.922902 9.681928 8.482263 3.615251 4.955568 2.478550 6.412184 4.469121 4.295402 0.000000 5.640190 5.666295 4.712348 7.523881 5.312545 4.991413 4.455440 7.847385 8.607258 8.829507 8.168241 8.663084 6.421285 7.369498 6.176335 5.136817 4.373417 3.867855 4.531651 3.999704 3.395251 3.398278 4.365665 3.815419 4.001808 2.150292 2.153012 1.083847 6.403148 8.200455 9.461836 8.834421 9.844978 7.428127 9.064413 9.735547 8.271950 4.345893 4.292160 4.296220 4.912133 4.025869 2.479145 2.482020 0.000000 6.364494 9.424158 2.389623 6.814364 7.033975 3.559430 2.839313 9.985689 9.038258 10.130172 9.940565 9.328541 8.805668 7.668069 7.642053 6.581083 5.207007 8.188407 4.957397 4.478998 7.712754 8.065718 3.954293 3.342894 2.998749 7.017888 7.411148 6.847788 1.089009 10.903126 9.243263 10.164148 11.110839 9.525941 10.991484 10.161464 8.536038 5.119679 8.094062 8.659456 4.264490 3.203002 6.873193 7.569642 6.554065 0.000000 5.511146 9.207164 2.389610 6.498837 7.349210 2.838691 3.559494 9.523821 8.511717 9.730479 9.206126 8.532957 8.498546 7.298727 7.400508 6.620629 5.200585 8.091181 4.493110 4.932512 7.401395 8.272663 3.356945 3.943623 3.000647 6.812661 7.754986 7.000801 1.089019 10.480734 8.720452 9.955228 10.636513 8.729103 10.195031 9.284298 7.614979 5.813623 7.547379 8.986775 3.235739 4.243984 6.479891 8.146801 6.820754 1.802876 0.000000 6.997157 10.377563 2.353361 8.090497 8.429633 2.899121 2.899044 11.010246 10.154527 11.294624 10.769939 10.206320 9.870033 8.866401 8.807361 7.848303 6.377925 9.055663 5.811752 5.799981 8.336962 9.047286 4.547877 4.546483 3.773933 7.496310 8.283761 7.461363 1.090326 11.914900 10.406662 11.454120 12.244207 10.226358 11.771442 11.001919 9.307186 6.568526 8.609848 9.778387 4.456783 4.450099 7.096975 8.510550 7.024329 1.794943 1.795100 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3712,-1.3261,1.4737;2.948,2.1121,.4224;-4.85,-.7338,.2546;1.6577,-2.4937,-1.54;1.0763,.8581,-2.4209;-4.8945,-.8631,1.7156;-5.6364,.2894,-.443;4.4237,-.165,.3323;3.8269,-2.2807,-.516;4.8835,-1.1839,-.7216;4.1987,-1.0489,1.5971;3.8125,-2.4452,1.0335;3.0983,.4347,-.1066;2.4781,-1.7683,-.9989;2.1944,-.3353,-.759;.9486,.1763,-1.4231;-.4407,-.1565,-.93;1.1922,2.5027,.4258;-.7944,-.7775,.2794;-1.4844,.2728,-1.7663;.4052,2.1071,1.5109;.6358,3.2536,-.6128;-2.129,-.9561,.6358;-2.8183,.104,-1.434;-3.122,-.5128,-.2248;-.9512,2.423,1.532;-.7185,3.574,-.5789;-1.5147,3.1511,.4857;-5.2766,-2.3407,-.4562;5.1507,.6294,.5135;4.029,-3.2173,-1.0356;4.8955,-.7731,-1.7333;5.8835,-1.5594,-.4847;3.4302,-.6259,2.2458;5.1237,-1.0997,2.1759;4.5577,-3.1932,1.3134;2.8469,-2.7997,1.3947;-1.207,.7652,-2.689;.8479,1.5392,2.3188;1.2498,3.5432,-1.4558;-2.3885,-1.4017,1.5871;-3.6101,.4685,-2.0761;-1.5671,2.0943,2.3609;-1.1551,4.14,-1.3936;-2.573,3.3847,.4983;-5.1535,-2.2858,-1.5368;-4.6306,-3.098,-.0146;-6.3197,-2.5167,-.192; 0.2648613 0.1033642 0.0891256 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= 776 RedAO= T EigKep= 1.45D-06 NBF= 776 NBsUse= 770 1.00D-06 EigRej= 9.42D-07 NBFU= 770 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= 792 792 792 792 792 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2407.62379425280 -2407.62379425229 0.000000000502 -2407.62379425 2 2.400654610811e+03 -1.260206778739e+04 4.326690452871e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323309675 LenY= 11322660845 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 3.0781 402.80 0.0048 0.000 112 117 -0.12598 115 117 -0.11858 116 117 0.67424 -2407.51067687 2 Singlet-A 3.3948 365.21 0.0006 0.000 111 117 0.10856 112 117 0.17262 115 117 0.64306 116 117 0.16565 3 Singlet-A 3.6961 335.45 0.0024 0.000 115 118 0.62657 116 118 -0.27530 4 Singlet-A 3.7902 327.11 0.0068 0.000 110 117 0.10226 111 117 0.24403 112 117 0.52617 114 117 -0.22735 115 117 -0.25391 116 117 0.10514 5 Singlet-A 4.0204 308.39 0.0031 0.000 111 117 0.16912 112 117 0.18651 114 117 0.65004 6 Singlet-A 4.1033 302.15 0.0090 0.000 113 117 0.69517 7 Singlet-A 4.3481 285.15 0.0340 0.000 110 119 0.12553 111 117 0.56264 112 117 -0.32037 116 118 0.17969 8 Singlet-A 4.4108 281.09 0.2162 0.000 110 117 -0.11018 111 117 -0.18338 115 118 0.23584 116 118 0.56988 116 120 0.18302 9 Singlet-A 4.4913 276.05 0.0141 0.000 116 118 -0.16205 116 119 0.34501 116 120 0.57118 10 Singlet-A 4.6412 267.14 0.0136 0.000 116 119 0.60887 116 120 -0.33443 PT30210.700S 2023-04-16T03:09:50.000 -101.57478 -89.06340 -88.88251 -19.13418 -19.12697 -19.12692 -19.11328 -10.29087 -10.27399 -10.26568 -10.24520 -10.23735 -10.22649 -10.22544 -10.22405 -10.22042 -10.21442 -10.21150 -10.20858 -10.19944 -10.19856 -10.19822 -10.19624 -10.19445 -10.19421 -10.19262 -10.18950 -10.18901 -10.18729 -9.49019 -8.12768 -7.96834 -7.25478 -7.24500 -7.24443 -6.09013 -6.08945 -6.08890 -5.93220 -5.92787 -5.92284 -1.12247 -1.07194 -1.04676 -1.01874 -0.92626 -0.89957 -0.88475 -0.87325 -0.83296 -0.81615 -0.79228 -0.78447 -0.77191 -0.77099 -0.76402 -0.73496 -0.72569 -0.69650 -0.65549 -0.64273 -0.63000 -0.62900 -0.61501 -0.60352 -0.58926 -0.57633 -0.55550 -0.53994 -0.53385 -0.51670 -0.51493 -0.49896 -0.49213 -0.48808 -0.48286 -0.47957 -0.47921 -0.47368 -0.46695 -0.46184 -0.45969 -0.45688 -0.44881 -0.44534 -0.44357 -0.44060 -0.43649 -0.42360 -0.40799 -0.40097 -0.39732 -0.39286 -0.38694 -0.38331 -0.37382 -0.37185 -0.36717 -0.36609 -0.35875 -0.35625 -0.35038 -0.34848 -0.34456 -0.33754 -0.33482 -0.31910 -0.31498 -0.30857 -0.29693 -0.28494 -0.28423 -0.27667 -0.27300 -0.25562 -0.24421 -0.09979 -0.06934 -0.05118 -0.04851 -0.03327 -0.01674 -0.01566 -0.00976 -0.00603 0.00055 0.01190 0.01458 0.01856 0.01880 0.02289 0.02684 0.02903 0.03376 0.03463 0.03811 0.04116 0.04322 0.04551 0.05005 0.05036 0.05344 0.05617 0.06216 0.06288 0.06570 0.06760 0.06910 0.07703 0.08071 0.08103 0.08433 0.08813 0.09021 0.09304 0.09372 0.09567 0.09910 0.10407 0.10617 0.10983 0.11093 0.11305 0.11790 0.11980 0.12136 0.12278 0.12646 0.12974 0.13082 0.13363 0.13712 0.13829 0.13896 0.14336 0.14635 0.14793 0.15112 0.15450 0.15645 0.15713 0.15758 0.16296 0.16430 0.16706 0.17001 0.17217 0.17369 0.17755 0.17868 0.18089 0.18334 0.18519 0.18829 0.18965 0.19136 0.19488 0.19561 0.19702 0.20187 0.20267 0.20380 0.20450 0.20839 0.21091 0.21245 0.21597 0.21850 0.22231 0.22417 0.22642 0.22852 0.23110 0.23315 0.23461 0.23753 0.24019 0.24199 0.24318 0.24417 0.24816 0.25004 0.25313 0.25579 0.25804 0.25917 0.26279 0.26358 0.26521 0.26755 0.26900 0.27590 0.27855 0.28043 0.28074 0.28544 0.28823 0.28926 0.29290 0.29330 0.29946 0.30119 0.30371 0.30570 0.30845 0.31362 0.31536 0.31633 0.31950 0.32317 0.32727 0.33234 0.33611 0.33856 0.34042 0.34350 0.34518 0.34713 0.34873 0.35141 0.35763 0.35970 0.36013 0.36194 0.36437 0.37162 0.37622 0.38124 0.38362 0.38695 0.38940 0.39457 0.39704 0.39963 0.40592 0.40804 0.41601 0.41683 0.41997 0.43081 0.43577 0.44165 0.44354 0.44940 0.45300 0.46666 0.46851 0.48294 0.48421 0.48991 0.49379 0.49952 0.50150 0.50442 0.51342 0.51982 0.52223 0.52827 0.53004 0.53947 0.54215 0.54691 0.55289 0.55401 0.56119 0.56949 0.57120 0.57695 0.58979 0.59624 0.60020 0.60822 0.61054 0.61225 0.61706 0.61869 0.62382 0.63146 0.63638 0.63859 0.64094 0.64364 0.64904 0.65504 0.65828 0.66262 0.66319 0.66576 0.66757 0.67450 0.67628 0.68004 0.68199 0.68773 0.69191 0.69493 0.70172 0.70466 0.70657 0.71026 0.71264 0.71610 0.71796 0.71983 0.72599 0.72706 0.72987 0.73220 0.73827 0.74088 0.74439 0.74873 0.75040 0.75606 0.75804 0.76222 0.76993 0.77060 0.77872 0.78430 0.78873 0.79966 0.80601 0.81188 0.81415 0.81951 0.82173 0.82893 0.83459 0.83838 0.84368 0.84942 0.85482 0.85902 0.86271 0.86950 0.87460 0.88304 0.88576 0.89294 0.89601 0.90103 0.90491 0.92909 0.92987 0.93541 0.94569 0.94866 0.95297 0.95983 0.96637 0.97331 0.97851 0.98171 0.99212 0.99892 1.00897 1.01367 1.01960 1.02263 1.02531 1.03707 1.04381 1.04682 1.05651 1.06307 1.06591 1.07583 1.08816 1.09024 1.09578 1.10568 1.11388 1.12555 1.13035 1.13145 1.13895 1.14040 1.15302 1.16063 1.16762 1.17442 1.17701 1.18709 1.19147 1.19311 1.19970 1.20503 1.20848 1.21483 1.22741 1.23229 1.24614 1.24681 1.25752 1.26165 1.27210 1.28341 1.28491 1.29610 1.29785 1.30703 1.31348 1.32329 1.33088 1.33912 1.35143 1.35377 1.36980 1.37685 1.40139 1.40581 1.41124 1.42223 1.43865 1.44608 1.47311 1.48187 1.48921 1.49643 1.50132 1.50947 1.51343 1.52383 1.52452 1.53269 1.53328 1.53863 1.54568 1.55230 1.55523 1.56799 1.58080 1.58413 1.59571 1.60103 1.60548 1.60909 1.61189 1.61882 1.62576 1.62843 1.64010 1.64549 1.65020 1.65517 1.65824 1.67047 1.67505 1.67955 1.68261 1.69234 1.69516 1.70098 1.70992 1.71314 1.72668 1.73394 1.73581 1.74551 1.75291 1.75688 1.76466 1.76802 1.77739 1.78318 1.79209 1.80087 1.80450 1.81376 1.82458 1.83240 1.83523 1.84768 1.85402 1.85609 1.86689 1.87320 1.88021 1.88894 1.89445 1.90099 1.90577 1.91326 1.91709 1.92584 1.92925 1.93605 1.94383 1.94465 1.95357 1.95972 1.96322 1.97138 1.98445 1.99257 1.99559 2.00264 2.00368 2.01488 2.01736 2.02591 2.03387 2.03941 2.04622 2.06081 2.06770 2.07348 2.07889 2.09346 2.09641 2.10366 2.11048 2.13184 2.14000 2.14517 2.17857 2.18317 2.19158 2.20246 2.20522 2.21173 2.22759 2.23760 2.24628 2.27707 2.28017 2.29136 2.29544 2.31421 2.32172 2.32791 2.33825 2.35591 2.36260 2.38233 2.39514 2.40837 2.41593 2.42457 2.44012 2.44804 2.45481 2.46581 2.48889 2.49100 2.49353 2.50232 2.50944 2.51994 2.52750 2.53327 2.54729 2.56844 2.57450 2.58786 2.60455 2.61117 2.61836 2.62275 2.62668 2.64874 2.66657 2.68157 2.69636 2.70096 2.72122 2.73434 2.73915 2.74737 2.75322 2.76398 2.76424 2.77080 2.78135 2.78481 2.79592 2.79988 2.80791 2.80887 2.82573 2.82850 2.83473 2.83545 2.83757 2.84226 2.84571 2.85165 2.85411 2.86796 2.87495 2.87787 2.88891 2.89186 2.89933 2.90678 2.91433 2.91864 2.92597 2.93926 2.94058 2.94620 2.95130 2.96206 2.96874 2.97496 2.98639 2.99362 2.99691 3.01328 3.01621 3.03128 3.03830 3.06127 3.06461 3.08244 3.09999 3.10753 3.12218 3.14532 3.15510 3.17309 3.19611 3.20088 3.21620 3.23715 3.25620 3.26737 3.28336 3.30658 3.32608 3.35167 3.36528 3.37891 3.38858 3.39754 3.42671 3.43258 3.46453 3.51047 3.51736 3.52807 3.55404 3.56392 3.57451 3.58435 3.58583 3.62434 3.63215 3.65848 3.71294 3.71474 3.73144 3.75325 3.78164 3.80045 3.85015 3.88411 3.93950 3.98000 4.01441 4.03650 4.07011 4.08871 4.10363 4.12978 4.13747 4.14326 4.14785 4.20277 4.25801 4.28795 4.30040 4.40421 4.45451 4.81577 4.82561 5.03531 5.04407 5.09972 5.11623 5.13918 5.16215 5.17132 5.26853 5.28068 5.29599 5.78277 5.79459 8.05134 8.15394 9.93656 17.33989 17.41037 17.41236 17.54859 17.55358 17.60051 23.54987 23.61322 23.66482 23.81821 23.83188 23.86746 23.89979 23.90648 23.93748 23.94341 23.95152 23.96706 23.97232 23.97963 24.01082 24.03443 24.06246 24.06592 24.08380 24.14942 24.16621 24.17847 26.14937 26.57600 26.94669 49.87944 49.92326 50.00791 50.07357 189.23890 189.26957 215.95818 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 S O O O O C C C C C C 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 H 0.087793 0.320241 1.081623 -0.252061 -0.132774 -0.144181 -0.135525 0.464936 0.424789 -0.894226 -0.350305 -0.453687 -0.296869 -0.788775 0.468048 -0.106906 0.593942 0.895999 -0.251140 -0.327072 -0.663034 -0.262432 -0.596342 -0.864169 0.498436 -0.272339 -0.508996 -0.003745 -0.681582 0.155594 0.163505 0.157708 0.153613 0.161874 0.151783 0.157010 0.164884 0.158664 0.161727 0.154205 0.182102 0.168765 0.133023 0.136202 0.138548 0.209981 0.210185 0.230978 -0.00000 2.8811 -1.1600 0.5343 3.1515 -187.5132 -187.8939 -197.5036 6.7203 17.1469 -4.2286 3.4570 3.0764 -6.5334 6.7203 17.1469 -4.2286 175.1340 -14.5999 7.6959 -57.0214 -127.4984 -47.8856 -7.3047 4.7243 -2.0165 -21.2276 -11451.9941 -3812.1505 -1676.2735 352.7544 239.2411 44.0637 -142.6616 78.5136 -17.6171 -2259.5138 -2246.0584 -923.6879 71.9095 27.7924 -33.6006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2023-04-16T00:00:00.000 0 Electronic spectrum benzobicyclon CONF5 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2407.6237943 RMSD=5.209e-10 PG=C01 [X(C22H19Cl1O4S2)] 0 0.3201314507 1.7174644596 1.04588972 0 -3.6898446675 0.2025270736 -0.0458167637 0 4.1834331725 -2.0351586574 1.3473029424 0 0.3461222009 2.4665943651 -2.3509999017 0 -1.1521383549 -0.7097540376 -2.4723081915 0 4.1413807309 -1.5345315329 2.7259216186 0 4.2493514521 -3.4724905117 1.061417231 0 -3.4461509918 2.7681760342 -0.8995712295 0 -1.5946843312 3.8214090874 -1.9069539603 0 -3.071704167 3.5080217181 -2.1929583948 0 -2.8644738768 3.6936957027 0.2125034844 0 -1.6482317072 4.3919867756 -0.4579039565 0 -2.7262630323 1.4304097865 -0.8704271553 0 -0.7983786916 2.525135875 -1.9281954155 0 -1.4771226306 1.3269065786 -1.3848273246 0 -0.741786959 0.0364137352 -1.6052594618 0 0.4986468793 -0.3446057563 -0.8305748096 0 -2.5517595093 -1.0869509554 0.4807759899 0 1.0265072072 0.2890241896 0.3066112572 0 1.1441884743 -1.5078678875 -1.2813483351 0 -1.8085743809 -0.9078798674 1.6507419555 0 -2.4634356009 -2.2836522987 -0.2350809037 0 2.1443847833 -0.2202957406 0.9631318978 0 2.2581009872 -2.0313569527 -0.6463170611 0 2.7441200705 -1.3729741636 0.4784805352 0 -0.9399908408 -1.9096685977 2.0774478508 0 -1.6006129531 -3.2839897787 0.2040322912 0 -0.8312752302 -3.0949080144 1.352357343 0 5.5758020698 -1.2396340079 0.5120120565 0 -4.5211080217 2.6158670963 -0.7829567813 0 -1.1254336893 4.5081758287 -2.6113522058 0 -3.2242015719 2.902312361 -3.0886489343 0 -3.6518738162 4.4304466805 -2.291544138 0 -2.5894344648 3.1229145293 1.1007333986 0 -3.6207653263 4.4223437813 0.5131318979 0 -1.805460235 5.4716286996 -0.5119488842 0 -0.7127441922 4.2277963828 0.0773941223 0 0.7241522557 -2.0013737798 -2.1478138481 0 -1.8949305654 0.0159171197 2.2077329016 0 -3.0319848663 -2.4075846838 -1.147691127 0 2.518728421 0.2553673511 1.8600317002 0 2.7248799289 -2.9460832484 -0.9889855893 0 -0.3445187242 -1.7606573412 2.9705351904 0 -1.5171323389 -4.2048330924 -0.3613507855 0 -0.1452857077 -3.8676730466 1.6794297666 0 5.5610491972 -1.5276008042 -0.5381302449 0 5.4848266602 -0.1615174773 0.6359094011 0 6.4733431067 -1.6136821856 1.0052850158 Gaussian 16 16-Apr-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C22H19ClO4S2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3201,1.7175,1.0459;-3.6898,.2025,-.0458;4.1834,-2.0352,1.3473;.3461,2.4666,-2.351;-1.1521,-.7098,-2.4723;4.1414,-1.5345,2.7259;4.2494,-3.4725,1.0614;-3.4462,2.7682,-.8996;-1.5947,3.8214,-1.907;-3.0717,3.508,-2.193;-2.8645,3.6937,.2125;-1.6482,4.392,-.4579;-2.7263,1.4304,-.8704;-.7984,2.5251,-1.9282;-1.4771,1.3269,-1.3848;-.7418,.0364,-1.6053;.4986,-.3446,-.8306;-2.5518,-1.087,.4808;1.0265,.289,.3066;1.1442,-1.5079,-1.2813;-1.8086,-.9079,1.6507;-2.4634,-2.2837,-.2351;2.1444,-.2203,.9631;2.2581,-2.0314,-.6463;2.7441,-1.373,.4785;-.94,-1.9097,2.0774;-1.6006,-3.284,.204;-.8313,-3.0949,1.3524;5.5758,-1.2396,.512;-4.5211,2.6159,-.783;-1.1254,4.5082,-2.6114;-3.2242,2.9023,-3.0886;-3.6519,4.4304,-2.2915;-2.5894,3.1229,1.1007;-3.6208,4.4223,.5131;-1.8055,5.4716,-.5119;-.7127,4.2278,.0774;.7242,-2.0014,-2.1478;-1.8949,.0159,2.2077;-3.032,-2.4076,-1.1477;2.5187,.2554,1.86;2.7249,-2.9461,-.989;-.3445,-1.7607,2.9705;-1.5171,-4.2048,-.3614;-.1453,-3.8677,1.6794;5.561,-1.5276,-.5381;5.4848,-.1615,.6359;6.4733,-1.6137,1.0053; oldchk=/home/apulgar/almacen/pesticidas/27_herbicides/benzobicyclon/gaussian/ga #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 benzobicyclon CONF5 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 32 16 16 16 16 12 12 12 12 12 12 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 1 34.9688527 31.9720718 31.9720718 15.9949146 15.9949146 15.9949146 15.9949146 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 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 1.0078250 3 0 0 0 0 0 0 0 0 0 0 0 0 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 1 14.2400000 13.6000000 13.6000000 5.6000000 5.6000000 5.6000000 5.6000000 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 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 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1500 A 1326 A 1326 1936 1500 116 116 3467.1736437934 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 -0.0747143345 0.000000 4.423434 0.000000 5.394268 8.302802 0.000000 3.478610 5.170000 6.976258 0.000000 4.520695 3.627681 6.694360 3.514070 0.000000 5.291496 8.486931 1.467305 7.495874 7.464797 0.000000 6.509581 8.818308 1.466969 7.883687 7.021112 2.556935 0.000000 4.367344 2.714929 9.291449 4.071724 4.453313 9.446064 10.100107 0.000000 4.100291 4.577099 8.847385 2.408201 4.587691 9.113291 9.806373 2.356279 0.000000 5.020038 3.989813 9.792718 3.576463 4.642456 10.082228 10.626211 1.536370 1.536749 0.000000 3.839497 3.596696 9.153171 4.287803 5.434213 9.095803 10.133183 1.559373 2.474020 2.421501 0.000000 3.645397 4.678629 8.864270 3.356843 5.507422 8.875809 9.946850 2.462589 1.558259 2.412070 1.554446 0.000000 3.610428 1.765267 8.041915 3.564453 3.102288 8.299948 8.742405 1.519443 2.841080 2.486944 2.512828 3.178563 0.000000 3.278503 4.159139 7.506239 1.221504 3.299351 7.908409 8.389808 2.850936 1.521472 2.490818 3.196384 2.523715 2.456428 0.000000 3.048121 2.820163 7.128107 2.357244 2.331569 7.526863 7.861986 2.487932 2.551270 2.820112 3.174571 3.206740 1.354870 1.480438 0.000000 3.313939 3.339236 6.104656 2.765041 1.215289 6.713593 6.658456 3.908210 3.891612 4.222081 4.602801 4.594462 2.534038 2.510225 1.501559 0.000000 2.793765 4.296354 4.602040 3.199657 2.356632 5.228202 5.237469 5.025495 4.785009 5.426438 5.357842 5.213759 3.681347 3.335036 2.646661 1.511287 0.000000 4.053623 1.798692 6.856587 5.389282 3.289669 7.073834 7.230702 4.191336 5.541592 5.341626 4.798369 5.631717 2.862395 4.682377 3.234506 2.981525 3.402308 0.000000 1.756685 4.730292 4.055989 3.502518 3.669666 4.345211 5.010534 5.254117 4.924252 5.779717 5.171110 4.957117 4.095298 3.650310 3.194734 2.616472 1.404748 3.837660 0.000000 4.061758 5.274454 4.052758 4.192543 2.707118 5.004207 4.357790 6.285024 6.024450 6.615431 6.734778 6.579054 4.876754 4.522952 3.862373 2.458989 1.404671 4.116101 2.400893 0.000000 3.433609 2.765952 6.104669 5.660718 4.179678 6.078706 6.604771 4.764362 5.921919 5.989133 4.935378 5.706197 3.558939 5.061115 3.784021 3.554050 3.434746 1.397573 3.358118 4.204277 0.000000 5.039649 2.778667 6.837145 5.910632 3.033454 7.276834 6.939435 5.189243 6.389183 6.143839 6.007483 6.728920 3.777168 5.363161 3.915465 3.197526 3.590048 1.397264 4.369416 3.835553 2.424442 0.000000 2.662642 5.935907 2.756634 4.629967 4.786322 2.970292 3.875218 6.607172 6.209139 7.146247 6.400893 6.138113 5.459851 4.955505 4.584982 3.872018 2.437476 4.799743 1.392866 2.774153 4.070807 5.188946 0.000000 4.546752 6.381919 2.771541 5.176212 4.087861 3.894300 2.993042 7.459098 7.119553 7.841150 7.730108 7.520258 6.072721 5.634439 5.076931 3.767569 2.444332 5.029612 2.794470 1.384957 4.803804 4.746122 2.425531 0.000000 3.968436 6.644772 1.806921 5.338412 4.932327 2.651307 2.648302 7.574141 7.176151 8.048883 7.562950 7.307828 6.293140 5.791084 5.346042 4.298825 2.795231 5.303598 2.396241 2.382221 4.724144 5.334523 1.386808 1.390990 0.000000 3.975942 4.065873 5.176711 6.357430 4.710104 5.136301 5.513983 6.084876 7.010659 7.220245 6.211227 6.829383 4.799673 5.977685 4.769830 4.169995 3.602179 2.413301 3.440527 3.973255 1.392873 2.794376 3.689045 4.202558 4.051840 0.000000 5.423332 4.072237 6.026760 6.586895 3.740403 6.510839 5.915465 6.422824 7.412354 7.351265 7.091228 7.704612 4.964586 6.239865 4.878534 3.877654 3.757297 2.410030 4.436069 3.590947 2.789644 1.392106 4.897700 4.145100 4.754367 2.415547 0.000000 4.957680 4.582509 5.125465 6.784647 4.518847 5.389690 5.102939 6.803272 7.683837 7.822242 7.177625 7.745841 5.386116 6.507534 5.240395 4.308211 3.754737 2.784172 3.999492 3.654799 2.413968 2.417032 4.155652 3.830155 4.063517 1.393689 1.395092 0.000000 6.054051 9.393786 1.808110 7.020151 7.379168 2.654416 2.654612 9.972499 9.103924 10.229197 9.780885 9.211002 8.829754 7.794760 7.741374 6.784030 5.327393 8.129056 4.803652 4.788245 7.479023 8.141097 3.607934 3.602179 2.835018 6.734619 7.468278 6.723010 0.000000 5.252562 2.656800 10.096489 5.115757 5.026293 10.226277 10.834702 1.091938 3.358669 2.210162 2.212937 3.393181 2.152772 3.895962 3.359987 4.648982 5.827916 4.380207 6.113705 7.024896 5.069272 5.342235 7.451271 8.220282 8.383652 6.441024 6.656707 7.126527 10.885285 0.000000 4.822152 5.629990 9.309686 2.530082 5.219850 9.630168 10.298960 3.368015 1.089964 2.227853 3.414938 2.219044 3.881510 2.122761 3.427612 4.599572 5.418330 6.549894 5.562967 6.566040 6.925734 7.318869 6.769571 7.620706 7.688201 7.950344 8.298797 8.579301 9.364790 4.295866 0.000000 5.573201 4.094446 9.946323 3.671674 4.209554 10.380107 10.663731 2.204385 2.212796 1.091971 3.413693 3.409345 2.708311 2.715425 2.904685 4.071388 5.431480 5.395108 6.035362 6.465204 6.243668 5.967901 7.415479 7.769280 8.162313 7.420333 7.193617 7.836791 10.371140 2.660871 2.685412 0.000000 5.854534 4.787488 10.790611 4.454686 5.718655 11.022284 11.667396 2.177855 2.179648 1.094159 2.726363 2.716302 3.446237 3.450314 3.896619 5.314802 6.493256 6.271976 6.766760 7.699759 6.887460 7.121836 8.112887 8.910077 9.069811 8.163300 8.363498 8.824101 11.187482 2.514777 2.547787 1.775802 0.000000 3.231698 3.324777 8.516939 4.578505 5.433396 8.344874 9.501048 2.204772 3.244011 3.351014 1.091050 2.219405 2.601686 3.569262 3.262038 4.501409 5.028906 4.255436 4.662253 6.407683 4.142409 5.570569 5.796985 7.288162 7.003358 5.385307 6.544483 6.466510 9.276288 2.745314 4.223959 4.242938 3.787607 0.000000 4.809456 4.257235 10.163695 5.269194 6.430039 10.031536 11.160993 2.182313 3.212934 2.908673 1.092375 2.198800 3.415558 4.186328 4.216537 5.657957 6.441965 5.612143 6.222871 7.816160 5.743647 6.846139 7.415764 8.806568 8.608059 7.051809 7.972712 8.061925 10.799761 2.398712 3.999556 3.929451 2.804860 1.759953 0.000000 4.586802 5.615302 9.781386 4.128153 6.517617 9.743460 10.914829 3.186028 2.171104 2.878354 2.192575 1.092368 4.160269 3.420788 4.248346 5.645201 6.264105 6.675135 5.962338 7.616152 6.736124 7.788066 7.083441 8.533779 8.278177 7.870042 8.787232 8.821010 10.028588 3.950134 2.407939 3.905585 2.767718 2.954965 2.333907 0.000000 2.882114 5.008104 8.050455 3.181215 5.574357 7.986341 9.213312 3.249071 2.209209 3.352203 2.221139 1.090247 3.574632 2.632257 3.337293 4.516620 4.816507 5.638372 4.311782 6.179986 5.481919 6.749928 5.360340 6.966109 6.593892 6.459128 7.565136 7.433813 8.344310 4.223997 2.734645 4.253017 3.780399 2.406232 2.946914 1.757405 0.000000 4.918611 5.362736 4.917683 4.488533 2.300879 5.970652 4.989026 6.457410 6.272146 6.690591 7.133243 7.025600 5.031324 4.780755 4.062660 2.568253 2.128580 4.298517 3.370689 1.082008 4.694620 3.728129 3.855812 2.146716 3.372325 4.542094 3.546945 3.983261 5.585108 7.120007 6.783072 6.365596 7.780654 6.913121 8.198969 8.057342 6.768957 0.000000 3.025168 2.887045 6.472539 5.640052 4.793863 6.253756 7.157879 4.431315 5.612715 5.739832 4.294998 5.129958 3.488119 4.960293 3.847044 3.983600 3.884650 2.151772 3.496234 4.871535 1.082172 3.402728 4.233308 5.439173 5.141996 2.153315 3.871799 3.397096 7.762971 4.754027 6.632955 6.176560 6.543578 3.370640 5.026607 6.096676 4.865782 5.468075 0.000000 5.750175 2.908537 7.643687 6.051213 2.858507 8.199041 7.683231 5.198230 6.437599 6.007375 6.253304 6.973145 3.860122 5.470824 4.052191 3.380459 4.101439 2.150952 5.085081 4.274082 3.402510 1.082342 6.002883 5.327094 6.089191 3.876323 2.155010 3.400850 8.843796 5.252198 7.321543 5.656790 6.960699 5.986458 7.053575 7.999408 7.134984 3.908173 4.292450 0.000000 2.763039 6.494723 2.877610 5.229008 5.759852 2.566418 4.186856 7.036292 6.620196 7.632786 6.596614 6.312527 6.028770 5.523198 5.257769 4.763102 3.417610 5.423469 2.154292 3.855727 4.485810 5.971438 1.082043 3.402766 2.147320 4.086244 5.677883 4.764935 3.660312 7.881411 7.166559 8.029757 8.528962 5.907003 7.541301 7.178738 5.422214 4.937227 4.433804 6.851870 0.000000 5.627807 7.207774 2.900932 6.067178 4.715155 4.218944 2.608691 8.410849 8.080857 8.758162 8.761913 8.558821 6.991617 6.574930 6.005994 4.614419 3.427666 5.784418 3.876720 2.156971 5.628023 5.284487 3.402595 1.082603 2.151395 4.889626 4.499707 4.260314 3.645918 9.136853 8.545348 8.602551 9.837319 8.333162 9.839578 9.571281 8.026143 2.497653 6.350992 5.784173 4.290534 0.000000 4.030304 4.913622 4.817944 6.831206 5.601892 4.498251 5.261060 6.716262 7.517465 7.864997 6.611118 7.163023 5.532505 6.524690 5.457566 4.932057 4.143014 3.394804 3.630068 4.512058 2.147683 3.878055 3.549228 4.464138 3.987521 1.083696 3.398802 2.153057 6.431641 7.119450 8.430039 8.170041 8.772562 5.690789 7.416342 8.158922 6.660888 5.234262 2.478278 4.959917 3.673657 5.148228 0.000000 6.358417 4.923928 6.334306 7.206828 4.099383 6.977144 5.984391 7.254905 8.174073 8.078342 8.033144 8.598362 5.785941 6.947236 5.625767 4.487387 4.380056 3.391286 5.206825 3.899057 3.873417 2.145313 5.571131 4.365500 5.184883 3.398325 1.083780 2.153864 7.737240 7.464822 9.007356 7.801523 9.102243 7.548735 8.922902 9.681928 8.482263 3.615251 4.955568 2.478550 6.412184 4.469121 4.295402 0.000000 5.640190 5.666295 4.712348 7.523881 5.312545 4.991413 4.455440 7.847385 8.607258 8.829507 8.168241 8.663084 6.421285 7.369498 6.176335 5.136817 4.373417 3.867855 4.531651 3.999704 3.395251 3.398278 4.365665 3.815419 4.001808 2.150292 2.153012 1.083847 6.403148 8.200455 9.461836 8.834421 9.844978 7.428127 9.064413 9.735547 8.271950 4.345893 4.292160 4.296220 4.912133 4.025869 2.479145 2.482020 0.000000 6.364494 9.424158 2.389623 6.814364 7.033975 3.559430 2.839313 9.985689 9.038258 10.130172 9.940565 9.328541 8.805668 7.668069 7.642053 6.581083 5.207007 8.188407 4.957397 4.478998 7.712754 8.065718 3.954293 3.342894 2.998749 7.017888 7.411148 6.847788 1.089009 10.903126 9.243263 10.164148 11.110839 9.525941 10.991484 10.161464 8.536038 5.119679 8.094062 8.659456 4.264490 3.203002 6.873193 7.569642 6.554065 0.000000 5.511146 9.207164 2.389610 6.498837 7.349210 2.838691 3.559494 9.523821 8.511717 9.730479 9.206126 8.532957 8.498546 7.298727 7.400508 6.620629 5.200585 8.091181 4.493110 4.932512 7.401395 8.272663 3.356945 3.943623 3.000647 6.812661 7.754986 7.000801 1.089019 10.480734 8.720452 9.955228 10.636513 8.729103 10.195031 9.284298 7.614979 5.813623 7.547379 8.986775 3.235739 4.243984 6.479891 8.146801 6.820754 1.802876 0.000000 6.997157 10.377563 2.353361 8.090497 8.429633 2.899121 2.899044 11.010246 10.154527 11.294624 10.769939 10.206320 9.870033 8.866401 8.807361 7.848303 6.377925 9.055663 5.811752 5.799981 8.336962 9.047286 4.547877 4.546483 3.773933 7.496310 8.283761 7.461363 1.090326 11.914900 10.406662 11.454120 12.244207 10.226358 11.771442 11.001919 9.307186 6.568526 8.609848 9.778387 4.456783 4.450099 7.096975 8.510550 7.024329 1.794943 1.795100 0.000000 C22H19ClO4S2 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 0 427.8159999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;1;4;5;6;7;2;3;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48/rA:48nCl0S0S0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3712,-1.3261,1.4737;2.948,2.1121,.4224;-4.85,-.7338,.2546;1.6577,-2.4937,-1.54;1.0763,.8581,-2.4209;-4.8945,-.8631,1.7156;-5.6364,.2894,-.443;4.4237,-.165,.3323;3.8269,-2.2807,-.516;4.8835,-1.1839,-.7216;4.1987,-1.0489,1.5971;3.8125,-2.4452,1.0335;3.0983,.4347,-.1066;2.4781,-1.7683,-.9989;2.1944,-.3353,-.759;.9486,.1763,-1.4231;-.4407,-.1565,-.93;1.1922,2.5027,.4258;-.7944,-.7775,.2794;-1.4844,.2728,-1.7663;.4052,2.1071,1.5109;.6358,3.2536,-.6128;-2.129,-.9561,.6358;-2.8183,.104,-1.434;-3.122,-.5128,-.2248;-.9512,2.423,1.532;-.7185,3.574,-.5789;-1.5147,3.1511,.4857;-5.2766,-2.3407,-.4562;5.1507,.6294,.5135;4.029,-3.2173,-1.0356;4.8955,-.7731,-1.7333;5.8835,-1.5594,-.4847;3.4302,-.6259,2.2458;5.1237,-1.0997,2.1759;4.5577,-3.1932,1.3134;2.8469,-2.7997,1.3947;-1.207,.7652,-2.689;.8479,1.5392,2.3188;1.2498,3.5432,-1.4558;-2.3885,-1.4017,1.5871;-3.6101,.4685,-2.0761;-1.5671,2.0943,2.3609;-1.1551,4.14,-1.3936;-2.573,3.3847,.4983;-5.1535,-2.2858,-1.5368;-4.6306,-3.098,-.0146;-6.3197,-2.5167,-.192; 0.2648613 0.1033642 0.0891256 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= 1326 RedAO= T EigKep= 1.01D-06 NBF= 1326 NBsUse= 1318 1.00D-06 EigRej= 8.28D-07 NBFU= 1318 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= 1475 1472 1475 1475 1475 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -2407.62878390635 -2407.75935286908 -0.130568962726 -2407.75503399974 0.004318869340 -2407.76206013595 -0.007026136216 -2407.76222586848 -0.000165732524 -2407.76224650313 -0.000020634651 -2407.76225244192 -0.000005938798 -2407.76225278615 -0.000000344223 -2407.76225284920 -0.000000063053 -2407.76225285611 -0.000000006906 -2407.76225285725 -0.000000001141 -2407.76225285718 0.000000000061 -2407.76225285667 0.000000000517 -2407.76225285675 -0.000000000078 -2407.76225286 14 2.400127137813e+03 -1.260258227931e+04 4.327593959182e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11320095339 LenY= 11317843839 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. PT38641.400S 2023-04-16T04:30:27.000 -101.57205 -89.04536 -88.88095 -19.13197 -19.12652 -19.12649 -19.11183 -10.28735 -10.27069 -10.26270 -10.24260 -10.23331 -10.22370 -10.22297 -10.21901 -10.21712 -10.21127 -10.20854 -10.20654 -10.19775 -10.19649 -10.19623 -10.19485 -10.19289 -10.19268 -10.19061 -10.18784 -10.18730 -10.18574 -9.48750 -8.10368 -7.96540 -7.25134 -7.24273 -7.24214 -6.06640 -6.06600 -6.06572 -5.92891 -5.92505 -5.92067 -1.10886 -1.06718 -1.04255 -1.00897 -0.92214 -0.89681 -0.88256 -0.86916 -0.82997 -0.81143 -0.78915 -0.77968 -0.76962 -0.76842 -0.76174 -0.73344 -0.72313 -0.69173 -0.65225 -0.63952 -0.62839 -0.62710 -0.61125 -0.60138 -0.58665 -0.57445 -0.55166 -0.53807 -0.52867 -0.51518 -0.51093 -0.49287 -0.48924 -0.48604 -0.47925 -0.47732 -0.47647 -0.47208 -0.46478 -0.45921 -0.45785 -0.45400 -0.44688 -0.44366 -0.44105 -0.43883 -0.43469 -0.41983 -0.40652 -0.39955 -0.39580 -0.38988 -0.38590 -0.38207 -0.37256 -0.37049 -0.36600 -0.36483 -0.35757 -0.35504 -0.34913 -0.34872 -0.34314 -0.33762 -0.33439 -0.32029 -0.31395 -0.30815 -0.29554 -0.28391 -0.28280 -0.27625 -0.27221 -0.25448 -0.24299 -0.09898 -0.06913 -0.05091 -0.04906 -0.03352 -0.01707 -0.01565 -0.00984 -0.00654 0.00004 0.01098 0.01319 0.01733 0.01806 0.02195 0.02550 0.02782 0.03296 0.03411 0.03824 0.04013 0.04201 0.04473 0.04820 0.04857 0.05291 0.05524 0.06045 0.06134 0.06468 0.06539 0.06790 0.07522 0.07922 0.08069 0.08216 0.08596 0.08779 0.09044 0.09181 0.09351 0.09736 0.10135 0.10362 0.10771 0.10865 0.11079 0.11549 0.11733 0.11897 0.12255 0.12402 0.12726 0.12812 0.13130 0.13435 0.13474 0.13614 0.14116 0.14285 0.14432 0.14731 0.15151 0.15168 0.15248 0.15565 0.15825 0.16052 0.16396 0.16531 0.16806 0.17142 0.17256 0.17493 0.17723 0.17734 0.18015 0.18192 0.18504 0.18598 0.18844 0.19094 0.19194 0.19594 0.19691 0.19818 0.19976 0.20182 0.20384 0.20612 0.20971 0.21142 0.21524 0.21712 0.21906 0.22269 0.22453 0.22625 0.22765 0.23167 0.23263 0.23455 0.23511 0.23739 0.23916 0.24289 0.24475 0.24590 0.24866 0.25244 0.25286 0.25464 0.25627 0.25814 0.26113 0.26440 0.26588 0.27043 0.27124 0.27472 0.27571 0.28006 0.28126 0.28505 0.28661 0.28847 0.29112 0.29257 0.29382 0.29442 0.29711 0.30086 0.30426 0.30543 0.30664 0.31183 0.31626 0.31825 0.32171 0.32300 0.32402 0.32730 0.32926 0.33328 0.33460 0.33857 0.33918 0.34121 0.34536 0.34696 0.35126 0.35331 0.35431 0.35486 0.35819 0.36239 0.36368 0.36911 0.37047 0.37200 0.37518 0.37888 0.38004 0.38348 0.38798 0.38905 0.39769 0.40032 0.40161 0.40630 0.40772 0.41153 0.41515 0.41754 0.41991 0.42220 0.42553 0.42698 0.43239 0.43689 0.44107 0.44489 0.45102 0.45362 0.45570 0.46180 0.46363 0.46473 0.46916 0.46934 0.48084 0.48193 0.48440 0.48857 0.48970 0.49180 0.49589 0.49791 0.50054 0.50323 0.50867 0.51333 0.51431 0.51711 0.52121 0.52518 0.52613 0.52948 0.53231 0.53575 0.53954 0.54082 0.54389 0.54905 0.55201 0.55322 0.55566 0.55946 0.56117 0.56407 0.56739 0.56971 0.57376 0.57582 0.57798 0.57983 0.58179 0.58489 0.58992 0.59038 0.59213 0.59392 0.59657 0.59956 0.60263 0.60615 0.60880 0.61008 0.61239 0.61549 0.61700 0.62116 0.62293 0.62676 0.62940 0.63216 0.63476 0.64033 0.64279 0.64581 0.64839 0.65058 0.65120 0.65395 0.65527 0.66092 0.66306 0.66756 0.67037 0.67211 0.67708 0.67894 0.68260 0.68519 0.68922 0.69122 0.69397 0.69629 0.70105 0.70630 0.71089 0.71258 0.71456 0.71495 0.72350 0.72548 0.72892 0.73203 0.73580 0.73809 0.74151 0.74982 0.75406 0.75704 0.75823 0.76575 0.76842 0.77495 0.77835 0.78202 0.78724 0.78849 0.79082 0.79962 0.80162 0.80395 0.80886 0.80955 0.81813 0.82599 0.82898 0.83047 0.83355 0.83835 0.84069 0.84809 0.84931 0.85472 0.85870 0.86494 0.86747 0.87258 0.87653 0.88485 0.88846 0.89197 0.89756 0.90100 0.90672 0.91203 0.91857 0.92376 0.92650 0.93324 0.93736 0.94201 0.94782 0.95357 0.96084 0.96363 0.96615 0.97136 0.97977 0.98067 0.98279 0.98925 0.99009 0.99295 0.99920 1.00291 1.00886 1.01042 1.01536 1.02272 1.02542 1.02859 1.03611 1.03736 1.04226 1.04609 1.04908 1.05134 1.05583 1.05824 1.06428 1.06525 1.07225 1.07656 1.08281 1.08631 1.09204 1.09874 1.10413 1.10677 1.11059 1.11195 1.11849 1.12104 1.12660 1.13053 1.13591 1.13775 1.14017 1.14307 1.14708 1.14871 1.15636 1.15778 1.16068 1.16627 1.16799 1.17463 1.17585 1.17953 1.18545 1.18764 1.19295 1.19465 1.19785 1.19981 1.20499 1.20802 1.21179 1.21456 1.21862 1.22562 1.22675 1.23439 1.23993 1.24055 1.24880 1.24986 1.25498 1.25663 1.25937 1.26266 1.26738 1.26933 1.27315 1.27711 1.28264 1.28374 1.28816 1.28922 1.29190 1.29621 1.30069 1.30516 1.31083 1.31330 1.31870 1.31966 1.32384 1.32630 1.33042 1.33422 1.33661 1.33989 1.34571 1.35001 1.35156 1.35295 1.35914 1.36105 1.36416 1.36506 1.37389 1.37487 1.37621 1.38148 1.38446 1.38941 1.39062 1.39330 1.39629 1.40050 1.40360 1.40914 1.41125 1.41367 1.41659 1.41718 1.42196 1.42964 1.43614 1.44011 1.44095 1.44448 1.44724 1.44916 1.45266 1.45931 1.46119 1.46625 1.47045 1.47756 1.48213 1.48516 1.49089 1.49198 1.49630 1.49962 1.50138 1.50296 1.50722 1.51361 1.51836 1.51992 1.52598 1.53310 1.54106 1.54217 1.54734 1.55033 1.55644 1.56064 1.56325 1.57155 1.57902 1.58356 1.58604 1.58799 1.59951 1.60339 1.60404 1.60912 1.61870 1.62250 1.62809 1.63286 1.63984 1.64299 1.65332 1.65604 1.66092 1.66578 1.67150 1.67520 1.68158 1.68442 1.69407 1.69654 1.70353 1.70663 1.71837 1.72243 1.72929 1.73305 1.74176 1.74822 1.75464 1.76076 1.76869 1.77661 1.78316 1.78509 1.79340 1.80009 1.80600 1.80975 1.81322 1.82198 1.82875 1.84331 1.84731 1.85719 1.86615 1.87116 1.87551 1.88240 1.89126 1.89856 1.90888 1.91279 1.91441 1.91814 1.92440 1.92836 1.93441 1.93909 1.94687 1.95549 1.95656 1.96010 1.96327 1.96847 1.97014 1.98538 1.98616 1.99799 1.99966 2.00439 2.01149 2.01661 2.02194 2.03319 2.03673 2.04841 2.05174 2.05726 2.05978 2.07420 2.07558 2.08302 2.09362 2.09552 2.10137 2.10393 2.11826 2.11864 2.12986 2.13299 2.14438 2.14474 2.15273 2.15685 2.16352 2.16476 2.17317 2.17850 2.18403 2.19045 2.19970 2.20217 2.21705 2.22381 2.22644 2.23460 2.23821 2.23964 2.24218 2.25829 2.26649 2.26979 2.27681 2.28993 2.29743 2.30191 2.31424 2.32127 2.32603 2.33013 2.33732 2.34566 2.34918 2.35655 2.36079 2.36424 2.37237 2.38375 2.39408 2.39924 2.40940 2.41093 2.41515 2.42433 2.43212 2.43853 2.44642 2.45336 2.45953 2.46435 2.47311 2.48480 2.49270 2.49572 2.51048 2.51527 2.52222 2.52361 2.52691 2.54128 2.56243 2.57841 2.58062 2.59110 2.61255 2.62296 2.63132 2.65220 2.65862 2.67272 2.68833 2.69525 2.71119 2.71702 2.72266 2.72924 2.74001 2.75642 2.76919 2.77437 2.78208 2.78397 2.79020 2.79963 2.80893 2.81496 2.82803 2.83187 2.83886 2.84693 2.84855 2.86135 2.87324 2.87706 2.88315 2.89397 2.89405 2.89883 2.90388 2.90566 2.91776 2.92900 2.93633 2.94415 2.95953 2.96641 2.96751 2.97485 2.98779 2.99518 2.99745 3.00027 3.00931 3.01511 3.02073 3.02626 3.02961 3.04289 3.04481 3.04966 3.05739 3.06116 3.07784 3.07864 3.08645 3.09230 3.09665 3.10521 3.11379 3.12408 3.12468 3.13352 3.13517 3.14496 3.14746 3.15574 3.15923 3.16728 3.16899 3.17721 3.18080 3.18633 3.19508 3.20096 3.20615 3.21226 3.21771 3.22892 3.23356 3.23597 3.24055 3.24834 3.25238 3.25917 3.26003 3.26958 3.27578 3.27880 3.28093 3.28858 3.29396 3.30153 3.30902 3.31605 3.32413 3.33245 3.33652 3.33869 3.34302 3.34877 3.35393 3.36267 3.36486 3.37616 3.38043 3.38239 3.38865 3.39355 3.39898 3.40956 3.41436 3.41466 3.42406 3.42866 3.43453 3.44023 3.44932 3.45298 3.45610 3.45992 3.46629 3.46945 3.48465 3.48549 3.49995 3.50391 3.50920 3.51636 3.52460 3.53215 3.54023 3.54725 3.55556 3.56655 3.57176 3.57698 3.58688 3.59149 3.60263 3.60746 3.61654 3.62173 3.63259 3.63426 3.63636 3.64086 3.64707 3.65586 3.66190 3.66561 3.67856 3.68044 3.68911 3.68970 3.69489 3.70017 3.70818 3.71797 3.72082 3.72205 3.72625 3.73789 3.74735 3.75446 3.75929 3.76650 3.77763 3.78549 3.79318 3.80242 3.80861 3.81531 3.82635 3.83051 3.83209 3.84256 3.84462 3.85581 3.86470 3.87152 3.88101 3.88731 3.89769 3.90337 3.92173 3.93876 3.95198 3.96220 3.96962 3.98535 4.00529 4.02324 4.03064 4.03575 4.04423 4.06806 4.09071 4.10138 4.11380 4.12486 4.12963 4.14300 4.14911 4.15384 4.16582 4.17645 4.18895 4.20288 4.21289 4.22348 4.23173 4.23635 4.23869 4.24420 4.24588 4.25771 4.26025 4.26865 4.27592 4.27927 4.28826 4.30037 4.32070 4.32502 4.32997 4.33502 4.34079 4.34306 4.35012 4.36011 4.37206 4.38309 4.39246 4.40137 4.40537 4.40677 4.41736 4.42876 4.43963 4.45122 4.45593 4.45780 4.46264 4.46928 4.47184 4.48466 4.48922 4.49405 4.49667 4.51146 4.52358 4.53262 4.54823 4.55392 4.56429 4.57007 4.58268 4.60342 4.61064 4.61385 4.62369 4.62647 4.63904 4.64360 4.65465 4.66960 4.67223 4.68952 4.69159 4.70892 4.71395 4.71999 4.73005 4.74133 4.74304 4.75866 4.76708 4.77256 4.79890 4.80273 4.81867 4.84056 4.86210 4.88551 4.89106 4.89723 4.91577 4.92363 4.93630 4.94769 4.97027 4.98349 4.99401 5.01172 5.01892 5.03823 5.05109 5.05332 5.06478 5.07341 5.08069 5.10840 5.12290 5.13758 5.14184 5.14808 5.14968 5.16457 5.16918 5.17540 5.19459 5.23493 5.23800 5.25390 5.26994 5.27943 5.29156 5.30576 5.31491 5.32563 5.33494 5.33680 5.36122 5.36967 5.37909 5.40326 5.41105 5.44378 5.45890 5.47309 5.48836 5.51042 5.55810 5.56424 5.59153 5.60961 5.61933 5.65338 5.65381 5.66555 5.66721 5.67610 5.68074 5.69654 5.70219 5.72097 5.72518 5.74402 5.77010 5.78562 5.79726 5.80313 5.82367 5.83642 5.84663 5.87283 5.87544 5.88936 5.91810 5.92052 5.92553 5.93399 5.94325 5.94671 5.95703 5.96504 6.05245 6.09739 6.21828 6.32237 6.33536 6.33925 6.49910 6.59729 6.61766 6.62880 6.68861 6.78322 6.88021 7.10786 7.11323 7.11661 7.12429 7.14205 7.15365 7.16583 7.17137 7.17652 7.18478 7.19652 7.20615 7.21391 7.22190 7.24336 7.26007 7.26946 7.28461 7.29958 7.30764 7.31013 7.33085 7.34059 7.35995 7.36466 7.37029 7.37875 7.39182 7.39489 7.40292 7.41462 7.42619 7.43256 7.43810 7.44722 7.45692 7.46604 7.47066 7.47453 7.48941 7.49737 7.51580 7.54092 7.57251 7.58031 7.58263 7.60899 7.62562 7.62956 7.63541 7.64332 7.64790 7.65063 7.66674 7.67810 7.69703 7.71222 7.73287 7.75184 7.77850 7.78427 7.78783 7.80864 7.82331 7.83570 7.83715 7.84038 7.84975 7.85242 7.85618 7.89311 7.90786 7.91878 7.92952 7.93988 7.95221 7.96151 7.96953 7.97109 7.97674 7.98305 8.02783 8.05155 8.06696 8.15535 8.17405 8.20619 8.24559 8.26492 8.27231 8.27653 8.28195 8.34943 8.36598 8.39286 8.41015 8.42385 8.43628 8.45345 8.50600 8.51264 8.55492 8.57171 8.59960 8.68237 8.77401 8.83350 9.00847 9.14140 9.14281 9.34934 9.36564 10.23056 14.34644 14.36539 14.36782 14.39500 14.44644 14.45438 14.46074 14.48211 14.48697 14.48877 14.49715 14.51229 14.63551 14.69144 14.69682 14.77295 14.82060 14.84081 15.08639 15.13931 17.71041 17.82760 17.95258 18.00952 18.09505 18.21938 23.95554 24.05856 24.15616 24.18252 24.37421 24.43346 24.47644 24.52587 24.60743 24.89330 24.93564 24.93671 24.94196 25.04520 25.08436 25.31449 25.35335 25.38860 25.40163 25.59054 25.76980 25.78730 26.54368 27.42253 28.68673 50.07434 50.15024 50.48011 50.49621 189.81779 190.09781 216.28371 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 S O O O O C C C C C C 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 H -1.467237 -0.485341 0.898568 -0.801740 -0.792216 -0.427609 -0.423686 -0.690969 -0.221245 -0.202535 -0.104906 -0.301264 0.292942 0.491295 0.976316 0.653384 1.335445 1.366247 0.717894 -0.487249 -0.565274 -0.483966 -0.258456 -0.470433 -0.002689 -0.221715 -0.550148 -0.141534 -0.503241 0.114750 0.096586 0.144769 0.131823 0.148881 0.133655 0.138645 0.176332 0.184217 0.131999 0.141792 0.171855 0.165591 0.128846 0.139432 0.138069 0.202427 0.204029 0.177663 -0.00000 2.7568 -1.0312 0.6168 3.0072 -186.2297 -187.0425 -196.4649 6.1986 16.5265 -4.1172 3.6826 2.8699 -6.5525 6.1986 16.5265 -4.1172 163.2768 -14.3716 8.8368 -57.2179 -122.3343 -46.2754 -10.0300 4.0985 -1.5426 -20.1694 -11363.2054 -3800.6262 -1670.0389 332.1279 227.5258 46.5182 -138.6368 69.3341 -17.7225 -2253.9367 -2225.0237 -921.2424 67.3263 27.0713 -30.2317 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2023-04-16T00:00:00.000 0 Single Point benzobicyclon CONF5 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2407.7622529 RMSD=2.669e-09 Dipole=-0.6286633,0.9950561,-0.1202823 Quadrupole=8.5007796,3.1278211,-11.6286007,-2.0923955,-6.0275661,7.079881 PG=C01 [X(C22H19Cl1O4S2)] 0 0.3201314507 1.7174644596 1.04588972 0 -3.6898446675 0.2025270736 -0.0458167637 0 4.1834331725 -2.0351586574 1.3473029424 0 0.3461222009 2.4665943651 -2.3509999017 0 -1.1521383549 -0.7097540376 -2.4723081915 0 4.1413807309 -1.5345315329 2.7259216186 0 4.2493514521 -3.4724905117 1.061417231 0 -3.4461509918 2.7681760342 -0.8995712295 0 -1.5946843312 3.8214090874 -1.9069539603 0 -3.071704167 3.5080217181 -2.1929583948 0 -2.8644738768 3.6936957027 0.2125034844 0 -1.6482317072 4.3919867756 -0.4579039565 0 -2.7262630323 1.4304097865 -0.8704271553 0 -0.7983786916 2.525135875 -1.9281954155 0 -1.4771226306 1.3269065786 -1.3848273246 0 -0.741786959 0.0364137352 -1.6052594618 0 0.4986468793 -0.3446057563 -0.8305748096 0 -2.5517595093 -1.0869509554 0.4807759899 0 1.0265072072 0.2890241896 0.3066112572 0 1.1441884743 -1.5078678875 -1.2813483351 0 -1.8085743809 -0.9078798674 1.6507419555 0 -2.4634356009 -2.2836522987 -0.2350809037 0 2.1443847833 -0.2202957406 0.9631318978 0 2.2581009872 -2.0313569527 -0.6463170611 0 2.7441200705 -1.3729741636 0.4784805352 0 -0.9399908408 -1.9096685977 2.0774478508 0 -1.6006129531 -3.2839897787 0.2040322912 0 -0.8312752302 -3.0949080144 1.352357343 0 5.5758020698 -1.2396340079 0.5120120565 0 -4.5211080217 2.6158670963 -0.7829567813 0 -1.1254336893 4.5081758287 -2.6113522058 0 -3.2242015719 2.902312361 -3.0886489343 0 -3.6518738162 4.4304466805 -2.291544138 0 -2.5894344648 3.1229145293 1.1007333986 0 -3.6207653263 4.4223437813 0.5131318979 0 -1.805460235 5.4716286996 -0.5119488842 0 -0.7127441922 4.2277963828 0.0773941223 0 0.7241522557 -2.0013737798 -2.1478138481 0 -1.8949305654 0.0159171197 2.2077329016 0 -3.0319848663 -2.4075846838 -1.147691127 0 2.518728421 0.2553673511 1.8600317002 0 2.7248799289 -2.9460832484 -0.9889855893 0 -0.3445187242 -1.7606573412 2.9705351904 0 -1.5171323389 -4.2048330924 -0.3613507855 0 -0.1452857077 -3.8676730466 1.6794297666 0 5.5610491972 -1.5276008042 -0.5381302449 0 5.4848266602 -0.1615174773 0.6359094011 0 6.4733431067 -1.6136821856 1.0052850158