Gaussian 16 GINC-CIBELES25 ALCAMI Optimization Kinoprene CONF342 gas EM64L-G16RevC.01 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 76 76 608 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H28O2)] C1[X(C18H28O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 248.19139999999987 0 1 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.2172,-2.5471,1.1457;4.3197,-.6354,-.003;-3.3356,-.009,.8961;-3.3143,1.4833,.5607;-3.8603,1.8452,-.8155;-3.9558,3.3515,-1.025;-4.5865,3.7821,-2.3504;-2.5827,-.8779,-.1298;-2.8063,-.2474,2.3054;-4.7739,5.2956,-2.3793;-3.771,3.3249,-3.5557;-1.1573,-.4804,-.3222;-.1142,-1.1852,.1237;1.2917,-.821,-.0314;1.6046,.4419,-.7707;2.1999,-1.6566,.5107;3.6602,-1.5122,.4952;5.6352,-2.5537,1.218;6.0406,-3.7027,2.0113;6.4126,-4.6366,2.6637;-4.3811,-.3383,.8681;-3.9008,2.0082,1.3221;-2.2937,1.8697,.6639;-3.2299,1.4051,-1.5935;-4.853,1.3977,-.9423;-2.9558,3.7952,-.945;-4.5387,3.7825,-.2037;-5.5781,3.3177,-2.4154;-3.1008,-.8275,-1.0922;-2.6355,-1.9219,.1902;-1.7622,.0569,2.3963;-3.3803,.3189,3.0402;-2.8672,-1.3011,2.5829;-3.8117,5.8097,-2.3193;-5.3834,5.6403,-1.5424;-5.262,5.6211,-3.2991;-3.6887,2.2395,-3.6142;-4.2248,3.664,-4.4881;-2.7578,3.7325,-3.5175;-.9848,.4513,-.8524;-.3089,-2.1144,.6521;1.1868,.3987,-1.778;2.6677,.6316,-.8483;1.139,1.293,-.2699;1.8378,-2.5405,1.0225;6.0077,-1.6325,1.6748;6.0747,-2.6138,.218;6.7307,-5.4658,3.2482; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6476213/Gau-3957122.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6476213/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Kinoprene CONF342 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 16 16 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 1 1 1 1 1 1 1 1 1 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 15 16 16 18 18 18 19 20 17 18 17 4 8 9 21 5 22 23 6 24 25 7 26 27 10 11 28 12 29 30 31 32 33 34 35 36 37 38 39 13 40 14 41 15 16 42 43 44 17 45 19 46 47 20 48 1.3433 1.4199 1.2049 1.5297 1.5409 1.5242 1.0965 1.5241 1.0951 1.0961 1.5239 1.0938 1.0963 1.5296 1.0969 1.0955 1.5253 1.5255 1.0969 1.4922 1.0941 1.0933 1.0913 1.0909 1.0914 1.0926 1.0912 1.0909 1.0901 1.091 1.0928 1.3355 1.0858 1.4605 1.0865 1.4965 1.3479 1.0914 1.0826 1.0917 1.4675 1.0836 1.4539 1.0936 1.0939 1.1984 1.0632 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 4 4 4 8 8 9 3 3 3 5 5 22 4 4 4 6 6 24 5 5 5 7 7 26 6 6 6 10 10 11 3 3 3 12 12 29 3 3 3 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 8 8 13 12 12 14 13 13 15 14 14 14 42 42 43 14 14 17 1 1 2 1 1 1 19 19 46 1 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 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 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 18 8 9 21 9 21 21 5 22 23 22 23 23 6 24 25 24 25 25 7 26 27 26 27 27 10 11 28 11 28 28 12 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 13 40 40 14 41 41 15 16 16 42 43 44 43 44 44 17 45 45 2 16 16 19 46 47 46 47 47 116.2533 113.4109 110.5145 107.5043 110.9608 106.2326 107.921 115.1237 107.9183 109.6473 108.7935 109.5684 105.3189 112.4156 109.8958 109.3886 109.6336 109.3187 105.9821 115.0414 109.429 108.6115 108.9805 108.6294 105.7402 110.2694 112.3224 107.7547 110.3684 107.9366 108.03 113.7275 109.1667 108.663 109.0631 109.7688 106.1761 111.4497 111.0318 111.5155 107.6165 107.5394 107.4867 110.9602 111.5629 111.5329 107.5203 107.4535 107.6049 112.4058 111.084 110.8697 107.159 107.6573 107.4351 124.2285 116.311 119.4569 125.7895 118.276 115.9345 117.6571 116.8279 125.5148 110.0252 112.8689 110.0017 108.4645 106.9157 108.3688 127.2435 118.0584 114.698 122.2698 109.3664 128.3637 108.0553 110.9425 110.7934 110.0467 110.0844 106.9291 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A83 A84 A85 A86 18 19 18 19 19 20 19 20 20 48 20 48 33 33 33 33 -1 -1 -2 -2 181.7812 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 179.2927 180.8027 180.0893 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 18 18 17 17 17 8 8 8 9 9 9 21 21 21 4 4 4 9 9 9 21 21 21 4 4 4 8 8 8 21 21 21 3 3 3 22 22 22 23 23 23 4 4 4 24 24 24 25 25 25 5 5 5 26 26 26 27 27 27 6 6 6 11 11 11 28 28 28 6 6 6 10 10 10 28 28 28 3 3 29 29 30 30 8 8 40 40 12 12 41 41 13 13 13 16 16 16 13 13 15 15 14 14 45 45 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 18 18 18 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 17 17 17 17 2 16 19 46 47 5 22 23 5 22 23 5 22 23 12 29 30 12 29 30 12 29 30 31 32 33 31 32 33 31 32 33 6 24 25 6 24 25 6 24 25 7 26 27 7 26 27 7 26 27 10 11 28 10 11 28 10 11 28 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 13 40 13 40 13 40 14 41 14 41 15 16 15 16 42 43 44 42 43 44 17 45 17 45 1 2 1 2 0.0762 179.953 177.1124 56.3951 -62.2143 56.3053 178.0132 -67.7655 -178.3694 -56.6615 57.5598 -60.8209 60.887 175.1083 56.6945 -65.3435 179.2707 -68.3913 169.5707 54.1849 174.5616 52.5236 -62.8622 -63.0401 56.9232 176.766 63.66 -176.3768 -56.5339 179.668 -60.3688 59.4741 173.5838 -64.0164 51.9463 52.3504 174.7501 -69.2872 -62.3039 60.0958 176.0586 -175.9898 60.9543 -54.0265 61.4624 -61.5935 -176.5743 -54.3124 -177.3683 67.6509 173.5532 -62.8929 55.9748 -63.1519 60.402 179.2697 51.5996 175.1535 -65.9788 62.6694 -57.1993 -177.5665 -62.0116 178.1196 57.7524 -179.8646 60.2667 -60.1005 61.3762 -178.5597 -59.1755 -175.1252 -55.0611 64.323 -57.3297 62.7344 -177.8815 107.7361 -71.5666 -130.1686 50.5287 -14.2298 166.4675 -179.2404 0.6881 0.0417 179.9702 -0.9245 178.9205 179.1456 -1.0094 -58.1328 -179.4368 59.3986 122.0372 0.7331 -120.4315 -179.7732 0.1056 0.0581 179.9369 179.7448 -0.388 -0.1374 179.7297 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 628 A 608 A 944 628 1430.7685036955 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= 608 RedAO= T EigKep= 1.37D-06 NBF= 608 NBsUse= 606 1.00D-06 EigRej= 4.01D-07 NBFU= 606 Berny optimization. local minimum Step number 15 out of a maximum of 248 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00188 0.00213 0.00380 0.00399 0.00417 0.00433 0.00445 0.00450 0.00477 0.00551 0.00937 0.01208 0.01290 0.01514 0.01730 0.02020 0.02136 0.02436 0.02696 0.02763 0.02916 0.03323 0.03395 0.03552 0.03579 0.03636 0.03784 0.04137 0.04745 0.04776 0.04806 0.04874 0.04965 0.05044 0.05083 0.05412 0.05447 0.05500 0.05544 0.05584 0.05593 0.05615 0.06657 0.06900 0.07088 0.07552 0.08386 0.08415 0.08792 0.08826 0.09590 0.10501 0.10924 0.12237 0.12527 0.12607 0.13087 0.14392 0.15744 0.15994 0.15999 0.16000 0.16000 0.16000 0.16000 0.16001 0.16005 0.16009 0.16027 0.16028 0.16044 0.16075 0.16095 0.16150 0.16765 0.17063 0.17567 0.17918 0.21512 0.21905 0.21935 0.22063 0.22140 0.22368 0.23403 0.23439 0.23725 0.24992 0.25196 0.26500 0.29110 0.29496 0.29817 0.29889 0.29991 0.30020 0.30433 0.32121 0.32513 0.33263 0.33749 0.34031 0.34055 0.34114 0.34129 0.34187 0.34220 0.34265 0.34348 0.34364 0.34452 0.34498 0.34515 0.34565 0.34598 0.34623 0.34659 0.34666 0.34680 0.34698 0.34709 0.34725 0.34873 0.35175 0.35262 0.35450 0.35570 0.36219 0.37339 0.37852 0.38374 0.40448 0.46294 0.53382 0.59114 0.63710 0.96401 1.06319 -3.25794620e-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 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 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 2.58082 2.72757 2.29369 2.90933 2.93752 2.89864 2.07500 2.89575 2.07260 2.07411 2.89611 2.06782 2.07525 2.90877 2.07683 2.07347 2.90034 2.90152 2.07674 2.83189 2.07123 2.06892 2.06767 2.06692 2.06764 2.07069 2.06758 2.06735 2.06475 2.06717 2.07130 2.53518 2.05295 2.76683 2.05668 2.84553 2.56244 2.06844 2.05040 2.06861 2.77552 2.04856 2.74831 2.06738 2.06741 2.26929 2.00839 2.00750 1.97989 1.93074 1.87580 1.93506 1.85165 1.88567 2.01154 1.88438 1.90779 1.90029 1.90891 1.84338 1.96605 1.91385 1.90831 1.91157 1.90766 1.85294 2.01047 1.90726 1.89589 1.89811 1.89548 1.84994 1.92703 1.96071 1.87824 1.92666 1.88352 1.88492 1.98980 1.89662 1.89462 1.89982 1.91777 1.86078 1.93613 1.93677 1.94265 1.88341 1.87948 1.88293 1.93108 1.94456 1.94282 1.88018 1.87900 1.88352 1.95832 1.93615 1.92881 1.87612 1.88259 1.87884 2.17641 2.02408 2.08259 2.19689 2.06461 2.02168 2.06370 2.04781 2.17168 1.91775 1.95590 1.91729 1.90170 1.86756 1.90141 2.21889 2.07574 1.98856 2.12509 1.90654 2.25155 1.89722 1.91030 1.91023 1.93708 1.93706 1.87173 3.17287 3.13531 3.15207 3.13930 -0.00042 3.14120 3.13977 1.02146 -1.02518 0.97580 3.10408 -1.18201 -3.12025 -0.99197 1.00513 -1.06537 1.06290 3.06000 0.96681 -1.15534 3.11059 -1.21801 2.94303 0.92578 3.02206 0.89991 -1.11734 -1.11752 0.97598 3.07322 1.09471 -3.09497 -0.99773 3.11684 -1.07284 1.02440 3.06216 -1.08742 0.93750 0.94247 3.07607 -1.18219 -1.06381 1.06980 3.09472 -3.09050 1.05036 -0.96043 1.05779 -1.08454 -3.09532 -0.96547 -3.10780 1.16460 3.01765 -1.10659 0.96597 -1.11833 1.04061 3.11317 0.88735 3.04630 -1.16433 1.09050 -1.00072 -3.10410 -1.08801 3.10396 1.00058 3.13892 1.04770 -1.05568 1.07125 -3.11321 -1.03064 -3.05278 -0.95405 1.12851 -0.99739 1.10135 -3.09927 1.94053 -1.18502 -2.22228 0.93536 -0.19058 2.96706 -3.12510 0.01474 -0.00006 3.13979 0.00298 3.14137 -3.13690 0.00148 -1.02713 3.13917 1.02297 2.11792 0.00104 -2.11517 -3.13851 0.00347 -0.00035 -3.14155 -3.13919 0.00244 0.00204 -3.13953 0.00001 0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 -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 0.00001 -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 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 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 0.00001 -0.00000 -0.00000 -0.00002 -0.00001 -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 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00003 -0.00000 0.00002 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00001 -0.00003 -0.00004 0.00026 0.00027 0.00027 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00010 0.00010 0.00010 0.00009 0.00010 0.00009 0.00009 0.00010 0.00009 0.00006 0.00006 0.00006 0.00005 0.00005 0.00006 0.00005 0.00005 0.00006 0.00009 0.00009 0.00009 0.00009 0.00009 0.00009 0.00009 0.00009 0.00009 -0.00033 -0.00029 -0.00035 -0.00031 -0.00032 -0.00029 0.00004 0.00006 -0.00000 0.00002 0.00005 0.00006 0.00003 0.00003 -0.00022 -0.00018 -0.00021 -0.00022 -0.00018 -0.00021 0.00000 -0.00004 0.00000 -0.00004 -0.00032 -0.00033 -0.00028 -0.00029 0.00001 0.00002 -0.00002 -0.00002 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00002 0.00000 -0.00002 -0.00002 -0.00002 0.00015 0.00016 0.00015 -0.00004 -0.00003 -0.00004 -0.00005 -0.00004 -0.00005 -0.00004 -0.00003 -0.00004 -0.00003 -0.00003 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00000 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 -0.00008 -0.00009 -0.00009 -0.00009 0.00015 0.00017 0.00016 0.00014 0.00015 0.00015 0.00016 0.00018 0.00017 -0.00004 -0.00005 -0.00004 -0.00006 -0.00007 -0.00006 -0.00005 -0.00007 -0.00005 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00008 -0.00009 -0.00009 -0.00009 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 -0.00006 0.00004 0.00003 0.00004 0.00003 0.00003 0.00002 -0.00003 -0.00000 -0.00002 0.00001 0.00007 0.00007 0.00004 0.00005 -0.00012 -0.00011 -0.00011 -0.00013 -0.00011 -0.00012 -0.00003 -0.00001 -0.00002 -0.00000 0.00002 0.00003 0.00001 0.00001 0.00001 0.00003 -0.00003 -0.00002 0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00002 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 -0.00002 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00001 0.00002 0.00001 0.00000 -0.00002 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00001 0.00002 -0.00005 -0.00000 0.00001 0.00000 -0.00002 0.00002 0.00002 -0.00002 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 0.00002 0.00002 -0.00000 0.00001 0.00000 -0.00001 -0.00005 -0.00006 0.00041 0.00042 0.00042 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00006 -0.00006 -0.00004 -0.00006 -0.00006 -0.00004 -0.00005 -0.00005 -0.00004 -0.00005 -0.00006 -0.00007 -0.00007 -0.00007 -0.00008 -0.00008 -0.00008 -0.00009 0.00014 0.00015 0.00014 0.00012 0.00013 0.00012 0.00014 0.00015 0.00014 -0.00002 -0.00002 -0.00000 -0.00004 -0.00004 -0.00002 -0.00002 -0.00003 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00000 0.00003 0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00029 -0.00026 -0.00030 -0.00027 -0.00030 -0.00027 0.00001 0.00006 -0.00002 0.00003 0.00012 0.00013 0.00007 0.00008 -0.00033 -0.00028 -0.00032 -0.00035 -0.00030 -0.00033 -0.00003 -0.00005 -0.00002 -0.00004 -0.00029 -0.00030 -0.00027 -0.00028 2.58084 2.72760 2.29366 2.90932 2.93754 2.89864 2.07501 2.89575 2.07261 2.07411 2.89611 2.06782 2.07526 2.90877 2.07683 2.07347 2.90033 2.90152 2.07675 2.83189 2.07123 2.06892 2.06768 2.06693 2.06765 2.07070 2.06759 2.06735 2.06475 2.06717 2.07131 2.53519 2.05296 2.76683 2.05668 2.84553 2.56245 2.06845 2.05040 2.06861 2.77555 2.04857 2.74832 2.06738 2.06740 2.26929 2.00839 2.00748 1.97987 1.93074 1.87582 1.93506 1.85165 1.88567 2.01155 1.88439 1.90779 1.90028 1.90891 1.84337 1.96605 1.91387 1.90831 1.91158 1.90766 1.85293 2.01048 1.90726 1.89589 1.89811 1.89549 1.84993 1.92703 1.96071 1.87824 1.92666 1.88352 1.88492 1.98978 1.89661 1.89462 1.89983 1.91779 1.86078 1.93615 1.93679 1.94266 1.88339 1.87948 1.88291 1.93110 1.94457 1.94282 1.88017 1.87900 1.88351 1.95833 1.93616 1.92883 1.87611 1.88258 1.87883 2.17642 2.02408 2.08258 2.19690 2.06460 2.02168 2.06368 2.04782 2.17167 1.91776 1.95591 1.91731 1.90165 1.86756 1.90142 2.21890 2.07572 1.98857 2.12511 1.90653 2.25155 1.89721 1.91028 1.91022 1.93708 1.93708 1.87175 3.17287 3.13531 3.15207 3.13929 -0.00047 3.14115 3.14018 1.02189 -1.02475 0.97579 3.10408 -1.18201 -3.12026 -0.99198 1.00511 -1.06538 1.06291 3.06000 0.96674 -1.15540 3.11055 -1.21807 2.94297 0.92574 3.02201 0.89986 -1.11737 -1.11757 0.97592 3.07315 1.09464 -3.09505 -0.99782 3.11677 -1.07292 1.02431 3.06230 -1.08727 0.93764 0.94258 3.07621 -1.18207 -1.06367 1.06995 3.09486 -3.09052 1.05033 -0.96043 1.05776 -1.08458 -3.09534 -0.96550 -3.10783 1.16459 3.01766 -1.10658 0.96598 -1.11832 1.04064 3.11319 0.88735 3.04631 -1.16432 1.09052 -1.00070 -3.10407 -1.08798 3.10398 1.00061 3.13894 1.04773 -1.05565 1.07128 -3.11318 -1.03061 -3.05275 -0.95402 1.12855 -0.99735 1.10138 -3.09924 1.94024 -1.18528 -2.22259 0.93508 -0.19088 2.96679 -3.12509 0.01480 -0.00008 3.13981 0.00310 3.14150 -3.13682 0.00157 -1.02746 3.13889 1.02264 2.11758 0.00074 -2.11550 -3.13854 0.00341 -0.00037 3.14159 -3.13948 0.00214 0.00177 -3.13980 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000025 0.000002 0.001288 0.000326 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.816827e-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 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 15 16 16 18 18 18 19 20 17 18 17 4 8 9 21 5 22 23 6 24 25 7 26 27 10 11 28 12 29 30 31 32 33 34 35 36 37 38 39 13 40 14 41 15 16 42 43 44 17 45 19 46 47 20 48 1.3657 1.4434 1.2138 1.5396 1.5545 1.5339 1.098 1.5324 1.0968 1.0976 1.5326 1.0942 1.0982 1.5393 1.099 1.0972 1.5348 1.5354 1.099 1.4986 1.096 1.0948 1.0942 1.0938 1.0941 1.0958 1.0941 1.094 1.0926 1.0939 1.0961 1.3416 1.0864 1.4641 1.0883 1.5058 1.356 1.0946 1.085 1.0947 1.4687 1.0841 1.4543 1.094 1.094 1.2009 1.0628 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 4 4 4 8 8 9 3 3 3 5 5 22 4 4 4 6 6 24 5 5 5 7 7 26 6 6 6 10 10 11 3 3 3 12 12 29 3 3 3 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 8 8 13 12 12 14 13 13 15 14 14 14 42 42 43 14 14 17 1 1 2 1 1 1 19 19 46 1 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 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 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 18 8 9 21 9 21 21 5 22 23 22 23 23 6 24 25 24 25 25 7 26 27 26 27 27 10 11 28 11 28 28 12 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 13 40 40 14 41 41 15 16 16 42 43 44 43 44 44 17 45 45 2 16 16 19 46 47 46 47 47 115.0215 113.4394 110.623 107.4756 110.8707 106.0919 108.0409 115.2528 107.9668 109.3083 108.8784 109.3725 105.6182 112.6464 109.6557 109.3384 109.525 109.301 106.1658 115.1917 109.278 108.6266 108.7536 108.6033 105.9938 110.4108 112.3405 107.6152 110.3894 107.9178 107.9979 114.0069 108.6682 108.5539 108.8518 109.8801 106.6151 110.9322 110.969 111.3058 107.9114 107.6863 107.8839 110.6429 111.4151 111.3154 107.7263 107.6589 107.9176 112.2036 110.9332 110.5129 107.4936 107.8643 107.6497 124.699 115.971 119.3237 125.8727 118.2934 115.8339 118.241 117.3308 124.4278 109.8789 112.065 109.8529 108.9591 107.0033 108.9428 127.1333 118.9309 113.9358 121.7587 109.2369 129.0045 108.7025 109.4524 109.4479 110.9865 110.9852 107.2423 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A83 A84 A85 18 19 18 19 20 19 20 48 20 33 33 33 -1 -1 -2 181.7922 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 179.6399 180.6005 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 18 18 17 17 17 8 8 8 9 9 9 21 21 21 4 4 4 9 9 9 21 21 21 4 4 4 8 8 8 21 21 21 3 3 3 22 22 22 23 23 23 4 4 4 24 24 24 25 25 25 5 5 5 26 26 26 27 27 27 6 6 6 11 11 11 28 28 28 6 6 6 10 10 10 28 28 28 3 3 29 29 30 30 8 8 40 40 12 12 41 41 13 13 13 16 16 16 13 13 15 15 14 14 45 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 17 17 18 18 18 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 17 17 17 2 16 19 46 47 5 22 23 5 22 23 5 22 23 12 29 30 12 29 30 12 29 30 31 32 33 31 32 33 31 32 33 6 24 25 6 24 25 6 24 25 7 26 27 7 26 27 7 26 27 10 11 28 10 11 28 10 11 28 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 13 40 13 40 13 40 14 41 14 41 15 16 15 16 42 43 44 42 43 44 17 45 17 45 1 2 1 -0.0238 179.9777 179.8957 58.5254 -58.7383 55.9093 177.8505 -67.724 -178.777 -56.8358 57.5896 -61.0413 60.8999 175.3253 55.3938 -66.1962 178.224 -69.787 168.6229 53.0431 173.1513 51.5612 -64.0186 -64.0292 55.9194 176.0824 62.7224 -177.3289 -57.1659 178.5819 -61.4694 58.6935 175.4488 -62.3045 53.7147 53.9994 176.2461 -67.7347 -60.9517 61.295 177.3142 -177.0728 60.181 -55.0283 60.607 -62.1393 -177.3486 -55.3175 -178.0638 66.7269 172.8983 -63.403 55.3459 -64.0758 59.6228 178.3717 50.8414 174.54 -66.7111 62.4808 -57.337 -177.8519 -62.3385 177.8437 57.3288 179.8466 60.0289 -60.4861 61.3778 -178.3735 -59.0515 -174.9116 -54.663 64.659 -57.146 63.1027 -177.5753 111.1841 -67.8964 -127.3274 53.592 -10.9194 170.0001 -179.0551 0.8447 -0.0032 179.8966 0.171 179.987 -179.731 0.085 -58.8502 179.8613 58.6116 121.348 0.0595 -121.1903 -179.8234 0.1987 -0.0198 180.0022 -179.8621 0.1396 0.1168 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0448496567 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.2172,-2.5471,1.1457;4.3197,-.6354,-.003;-3.3356,-.009,.8961;-3.3143,1.4833,.5607;-3.8603,1.8452,-.8155;-3.9558,3.3515,-1.025;-4.5865,3.7821,-2.3503;-2.5827,-.8779,-.1298;-2.8063,-.2474,2.3054;-4.7739,5.2956,-2.3793;-3.771,3.3249,-3.5557;-1.1573,-.4804,-.3222;-.1142,-1.1852,.1237;1.2917,-.8211,-.0314;1.6047,.4419,-.7707;2.1999,-1.6566,.5107;3.6602,-1.5122,.4952;5.6352,-2.5537,1.218;6.0406,-3.7027,2.0113;6.4126,-4.6366,2.6637;-4.3811,-.3383,.8681;-3.9008,2.0082,1.3221;-2.2937,1.8697,.6639;-3.2299,1.4051,-1.5935;-4.853,1.3977,-.9423;-2.9558,3.7952,-.945;-4.5387,3.7825,-.2037;-5.5781,3.3177,-2.4154;-3.1008,-.8275,-1.0922;-2.6355,-1.9219,.1902;-1.7622,.0569,2.3963;-3.3803,.3189,3.0402;-2.8672,-1.3011,2.5829;-3.8117,5.8097,-2.3193;-5.3834,5.6403,-1.5424;-5.262,5.6211,-3.2991;-3.6887,2.2395,-3.6142;-4.2248,3.664,-4.4881;-2.7577,3.7325,-3.5175;-.9848,.4513,-.8524;-.3089,-2.1144,.6521;1.1868,.3987,-1.778;2.6677,.6316,-.8483;1.139,1.293,-.2699;1.8378,-2.5405,1.0224;6.0077,-1.6325,1.6748;6.0747,-2.6138,.218;6.7307,-5.4658,3.2482; 0.000000 2.232572 0.000000 7.971739 7.733377 0.000000 8.562055 7.942599 1.529701 0.000000 9.401204 8.586371 2.577284 1.524055 0.000000 10.310313 9.242543 3.920239 2.533010 1.523871 0.000000 11.392348 10.214985 5.145512 3.921352 2.575869 1.529603 0.000000 7.117000 6.907871 1.540860 2.566566 3.084979 4.535910 5.537259 0.000000 7.480781 7.500623 1.524233 2.509478 3.902473 5.036389 6.409519 2.525448 0.000000 12.440710 11.113832 6.398036 5.030609 3.896863 2.506514 1.525264 6.926213 7.519448 0.000000 10.972413 9.683265 5.578761 4.532614 3.115547 2.537570 1.525472 5.550837 6.931408 2.504630 0.000000 5.942297 5.488539 2.539956 3.047667 3.599664 4.796800 5.834549 1.492216 3.110897 7.118509 5.636248 0.000000 4.654022 4.469678 3.515331 4.189568 4.908981 6.054689 7.127175 2.500465 3.589800 8.365274 6.873939 1.335527 0.000000 3.594879 3.033861 4.788690 5.184164 5.853718 6.777438 7.817916 3.876072 4.752162 8.928416 7.432378 2.489627 1.460537 0.000000 4.408155 3.020209 5.233321 5.201233 5.642378 6.280841 7.209906 4.436968 5.421597 8.175027 6.705627 2.946259 2.530202 1.496531 0.000000 2.294654 2.408396 5.788374 6.345709 7.123688 8.082865 9.155381 4.887771 5.501714 10.262493 8.775128 3.653518 2.393140 1.347939 2.529865 0.000000 1.343264 1.204896 7.166742 7.590848 8.339507 9.163534 10.204673 6.306153 6.833174 11.213479 9.748339 4.994153 3.806747 2.522895 3.105855 1.467543 0.000000 1.419905 2.627019 9.330339 9.839882 10.660646 11.484365 12.544313 8.494684 8.818195 13.524101 12.075728 7.267010 6.010505 4.840398 5.401320 3.620276 2.346880 0.000000 2.325851 4.053014 10.139041 10.794086 11.695979 12.605898 13.710632 9.323377 9.502231 14.737659 13.290808 8.224236 6.912462 5.918491 6.677935 4.603145 3.572544 1.453890 0.000000 3.389776 5.244150 10.934683 11.682833 12.635265 13.598561 14.730801 10.141401 10.216724 15.786632 14.344778 9.137477 7.807894 6.931530 7.791226 5.591303 4.694710 2.651963 1.198441 0.000000 8.881722 8.749344 1.096462 2.133350 2.805963 4.168953 5.232495 2.126272 2.134017 6.514686 5.775979 3.439414 4.413329 5.763875 6.254871 6.721223 8.135077 10.264318 11.010730 11.755953 0.000000 9.310359 8.736239 2.137784 1.095138 2.144171 2.704929 4.135693 3.489274 2.693044 5.026886 5.054093 4.052635 5.096319 6.066186 6.094507 7.162965 8.381286 10.571551 11.485650 12.341786 2.437882 0.000000 7.882356 7.103401 2.160787 1.096121 2.154824 2.794790 4.242650 2.874516 2.727487 5.210471 4.701634 2.790536 3.791397 4.536390 4.392493 5.714130 6.849458 9.096257 10.115708 11.051310 3.045383 1.742148 0.000000 8.864644 7.980641 2.865079 2.157235 1.093773 2.153741 2.839600 2.788031 4.255762 4.258741 2.797973 3.076859 4.400693 5.276437 4.997784 6.579123 7.768355 10.107793 11.181516 12.149261 3.228676 3.051993 2.487636 0.000000 10.108811 9.442151 2.767776 2.152631 1.096258 2.151575 2.781922 3.315456 4.176437 4.155073 3.422691 4.191611 5.501230 6.596154 6.530224 7.821961 9.110886 11.414138 12.385753 13.278900 2.552278 2.531200 3.058192 1.748831 0.000000 9.800330 8.570353 4.243314 2.782147 2.153484 1.096927 2.152759 4.758279 5.189412 2.759305 2.775145 4.680100 5.832757 6.339194 5.663243 7.643471 8.603133 10.899211 12.078605 13.110497 4.733419 3.037487 2.595105 2.491619 3.057345 0.000000 10.888026 9.901006 4.127031 2.714718 2.141909 1.095467 2.147156 5.054739 5.053403 2.660424 3.469099 5.442453 6.660432 7.430719 7.015798 8.689257 9.784893 12.069688 13.147440 14.107955 4.260907 2.425538 3.074323 3.048995 2.516279 1.747928 0.000000 11.959246 10.927652 5.202014 4.164926 2.771100 2.136857 1.096902 5.639012 6.532860 2.135443 2.136838 6.192749 7.521758 8.366973 7.909923 9.685192 10.823380 13.168644 14.278468 15.259255 5.057742 4.300816 4.729267 3.138044 2.526285 3.044103 2.487564 0.000000 7.843305 7.502463 2.162958 2.849140 2.792224 4.266116 5.003864 1.094128 3.459363 6.476683 4.874436 2.119037 3.244377 4.518736 4.884236 5.599462 6.978530 9.199694 10.072877 10.914249 2.391950 3.809259 3.318190 2.291810 2.836214 4.627292 4.910107 5.007007 0.000000 6.947179 7.075876 2.155839 3.491949 4.086834 5.570377 6.541912 1.093276 2.703212 7.954042 6.546000 2.127328 2.627602 4.084611 4.948765 4.853307 6.316462 8.358278 9.042257 9.765073 2.452371 4.281141 3.836377 3.821508 4.149617 5.837523 6.026416 6.549878 1.748960 0.000000 6.640570 6.574649 2.175018 2.795226 4.232643 5.231846 6.662203 2.815729 1.091278 7.702000 7.081091 2.836349 3.069757 3.998845 4.638303 4.710617 5.956414 7.932559 8.669818 9.430142 3.057771 3.087917 2.563218 4.459869 4.743080 5.154063 5.324422 6.953147 3.839751 3.089520 0.000000 8.338127 8.334436 2.169538 2.740165 4.174457 5.104358 6.519751 3.481023 1.090913 7.488721 7.259145 4.109315 4.629889 5.706305 6.275994 6.437392 7.707087 9.635989 10.294889 10.981790 2.480201 2.465091 3.038520 4.761699 4.380963 5.305412 4.884860 6.602014 4.297601 3.701129 1.761127 0.000000 7.335242 7.666928 2.175902 3.470235 4.736478 5.987440 7.289198 2.760283 1.091366 8.472034 7.739490 3.469425 3.693260 4.935717 5.855093 5.485970 6.856400 8.701882 9.243496 9.861351 2.481802 3.689122 3.750399 4.989756 4.863539 6.198921 6.033451 7.325657 3.712918 2.482794 1.760625 1.759737 0.000000 12.095650 10.631348 6.665009 5.221027 4.240454 2.781814 2.170802 7.143371 7.686800 1.092569 2.775730 7.113367 8.280610 8.674451 7.781281 9.994734 10.833337 13.103595 14.363415 15.443218 6.948557 5.264899 5.169866 4.501748 4.737741 2.584470 3.018873 3.056077 6.786998 8.213337 7.715746 7.685045 8.688358 0.000000 12.900729 11.657810 6.484894 5.097494 4.153471 2.746654 2.177284 7.233632 7.490774 1.091210 3.466156 7.537348 8.782218 9.412139 8.743620 10.722236 11.708802 14.006106 15.179812 16.200347 6.523776 4.857530 5.350809 4.751500 4.317546 3.107154 2.440686 2.488910 6.873508 8.230408 7.733119 7.302769 8.457702 1.761326 0.000000 13.278871 11.908693 7.280615 5.984307 4.731861 3.468166 2.176703 7.710928 8.478150 1.090935 2.749775 7.933350 9.194565 9.753405 8.964754 11.097695 12.036829 14.352005 15.584619 16.645443 7.325030 6.021705 6.211973 4.981210 4.853709 3.767476 3.672142 2.487254 7.150142 8.716053 8.697478 8.475880 9.394111 1.760351 1.760960 0.000000 10.395695 9.243426 5.051977 4.259277 2.831583 2.830521 2.187045 4.804332 6.481092 3.470189 1.090128 4.964160 6.202998 6.856200 6.271884 8.177416 9.217861 11.543850 12.712776 13.737882 5.216851 4.946284 4.514995 2.233800 3.033662 3.175215 3.838595 2.483834 4.013975 5.735810 6.678418 6.932886 7.184343 3.799818 4.327800 3.742948 0.000000 11.898922 10.564593 6.578043 5.574454 4.114540 3.487540 2.171359 6.505342 7.966351 2.722200 1.091012 6.628764 7.853696 8.391048 7.627832 9.724930 10.667716 12.978450 14.208767 15.271013 6.688225 6.050240 5.787243 3.804101 4.254822 3.765777 4.297500 2.499493 5.741843 7.457527 8.152979 8.281226 8.746138 3.078711 3.731633 2.513868 1.755123 0.000000 10.479900 9.028924 5.814856 4.690440 3.475469 2.791590 2.170061 5.723879 7.053250 2.793438 1.092844 5.524528 6.665641 7.020394 6.115854 8.357503 9.208644 11.505822 12.777362 13.868875 6.200094 5.263265 4.601081 3.056426 4.058730 2.580853 3.762371 3.056348 5.176233 6.762757 7.033846 7.419207 7.909799 2.619392 3.799267 3.144111 1.762217 1.760428 0.000000 6.327993 5.480952 2.965687 2.913461 3.195679 4.155442 5.129344 2.200480 3.711837 6.336799 4.829900 1.085833 2.094983 2.734132 2.590790 4.055126 5.219956 7.559226 8.649452 9.642215 3.888230 3.956709 2.454480 2.549381 3.983244 3.882630 4.914022 5.635333 2.483945 3.073125 3.363661 4.572599 4.291374 6.233413 6.837309 7.141876 4.258619 5.834130 4.583923 0.000000 4.573397 4.903113 3.695021 4.688723 5.517609 6.781504 7.879181 2.703842 3.529283 9.166941 7.699207 2.083015 1.086516 2.168346 3.495816 2.554128 4.017616 5.987114 6.684737 7.455639 4.447864 5.508751 4.451133 5.095293 5.960320 6.669325 7.307311 8.165860 3.534618 2.379859 3.141396 4.588802 3.306680 9.159157 9.523715 9.999098 6.969983 8.668691 7.587438 3.050135 0.000000 5.138968 3.746392 5.269630 5.187039 5.337741 5.977641 6.716097 4.307587 5.747718 7.737581 6.025135 2.896053 2.796034 2.132949 1.091435 3.238681 3.864834 6.122219 7.398641 8.508400 6.208565 6.171293 4.498991 4.533668 6.178592 5.421331 6.834430 7.395281 4.511857 4.885617 5.122345 6.639296 6.192076 7.386266 8.408123 8.436414 5.525435 6.876931 5.449726 2.361221 3.802403 0.000000 4.059664 2.247042 6.284306 6.204364 6.639855 7.162356 8.050156 5.510103 6.378273 8.914768 7.486002 4.017953 3.461832 2.161208 1.082583 2.702156 2.717694 4.818948 6.191932 7.356155 7.319257 7.053394 5.332452 5.994592 7.560135 6.452968 7.891452 8.812682 5.955096 5.976857 5.521006 7.196976 6.792866 8.423720 9.507249 9.684024 7.116116 8.363620 6.795261 3.656941 4.318737 1.763991 0.000000 5.121001 3.729208 4.803810 4.534046 5.059171 5.546604 6.580715 4.310832 4.956785 7.445316 6.247687 2.901855 2.804754 2.132887 1.091745 3.230305 3.848457 6.101372 7.361098 8.460302 5.867478 5.333426 3.603904 4.566400 6.030486 4.846053 6.199854 7.336357 4.811249 4.979372 4.129572 5.685923 5.560298 7.007911 7.941024 8.299467 5.948727 7.223993 5.628799 2.357626 3.815269 1.754008 1.763180 0.000000 2.382592 3.292542 5.760930 6.553453 7.421543 8.513116 9.624046 4.861357 5.335859 10.802279 9.317742 3.875886 2.540617 2.089314 3.487749 1.083609 2.157965 3.802495 4.471255 5.293076 6.599020 7.328809 6.053714 6.934857 8.008451 8.184726 9.063259 10.056420 5.638739 4.591920 4.646866 6.282959 5.109559 10.621179 11.209291 11.648715 8.653802 10.277001 9.004479 4.520286 2.219647 4.111595 3.774975 4.105302 0.000000 2.079010 2.580405 9.515242 9.891858 10.755107 11.463021 12.560151 8.810307 8.944405 13.441599 12.147303 7.526813 6.331166 5.080394 5.447064 3.981830 2.629920 1.093646 2.097605 3.188498 10.500096 10.562076 9.066475 10.258776 11.575204 10.801275 12.003224 13.246307 9.553459 8.774577 7.984108 9.685411 8.927362 12.952242 13.892462 14.295439 11.704112 13.066717 11.514203 7.721699 6.416943 6.268102 4.758998 6.003697 4.317193 0.000000 2.077427 2.653811 9.787726 10.249745 10.938676 11.736335 12.695129 8.836636 9.424943 13.674657 12.101540 7.559489 6.352384 5.114073 5.504230 4.002019 2.668379 1.093949 2.098303 3.191806 10.720270 11.049577 9.504297 10.296104 11.698421 11.134536 12.398991 13.338124 9.439150 8.737759 8.561251 10.293856 9.342046 13.233863 14.230843 14.446581 11.557031 12.947555 11.499679 7.770337 6.417838 6.078765 4.824692 6.313649 4.313289 1.757708 0.000000 4.388344 6.302040 11.689351 12.506614 13.495661 14.498536 15.650809 10.917919 10.912170 16.728177 15.292348 9.991165 8.656754 7.868473 8.793715 6.521669 5.712992 3.715104 2.261573 1.063175 12.467066 13.137732 11.913392 13.033271 14.101418 14.041999 14.981543 16.147228 11.705212 10.470803 10.166388 11.650707 10.483662 16.409673 17.118604 17.595752 14.663856 16.224307 14.846399 10.552599 8.217543 9.507411 8.394527 9.451192 6.119860 4.206215 4.212652 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2337,-.2047,.0322;4.0261,-2.0202,-.4475;-2.3007,2.3994,.0474;-3.1471,1.3795,-.7163;-4.1333,.5895,.1357;-5.0499,-.2924,-.7035;-6.1279,-1.0397,.0835;-1.4983,1.782,1.209;-1.3839,3.1548,-.9077;-7.0766,-1.7578,-.8708;-5.5352,-2.026,1.085;-.5946,.6707,.7905;.7362,.7663,.7316;1.6509,-.2925,.3128;1.0576,-1.6126,-.0681;2.9647,.0084,.3001;4.0741,-.8729,-.0825;6.41,-.9259,-.3033;7.5423,-.0219,-.1834;8.4993,.6947,-.1;-2.9871,3.1245,.5004;-3.7027,1.9164,-1.4925;-2.4913,.6868,-1.2563;-3.5906,-.027,.8581;-4.7406,1.284,.7278;-4.4467,-1.0194,-1.261;-5.5382,.3312,-1.4603;-6.7096,-.2965,.6425;-2.1932,1.4108,1.9682;-.915,2.5717,1.6899;-.6693,2.4847,-1.3886;-1.9576,3.6457,-1.695;-.813,3.9264,-.3882;-6.546,-2.5145,-1.4535;-7.5376,-1.0639,-1.5757;-7.8796,-2.2631,-.3323;-4.9175,-1.5342,1.8367;-6.3206,-2.5653,1.6165;-4.9131,-2.7683,.5788;-1.0759,-.2616,.5106;1.1976,1.7081,1.0156;.4815,-2.0179,.7655;1.8041,-2.342,-.3558;.3636,-1.4837,-.901;3.262,1.0064,.5997;6.3502,-1.3189,-1.3221;6.5423,-1.7841,.362;9.3404,1.3409,-.0273; 0.6979272 0.0843831 0.0781138 -19.17405 -19.11020 -10.30289 -10.25758 -10.20895 -10.18608 -10.18275 -10.18100 -10.18038 -10.18011 -10.17676 -10.17468 -10.17392 -10.16704 -10.16670 -10.16590 -10.16439 -10.15830 -10.15779 -10.15688 -1.12322 -1.02945 -0.85112 -0.83371 -0.81710 -0.80434 -0.77662 -0.75205 -0.73735 -0.70676 -0.69419 -0.68848 -0.68019 -0.63501 -0.61011 -0.58710 -0.56538 -0.55808 -0.54841 -0.54098 -0.50858 -0.50621 -0.50161 -0.48957 -0.47527 -0.46899 -0.46288 -0.45139 -0.44412 -0.44160 -0.43398 -0.42974 -0.41619 -0.41597 -0.40435 -0.39806 -0.38825 -0.38387 -0.38096 -0.37646 -0.36937 -0.36682 -0.36121 -0.35304 -0.34497 -0.34299 -0.32650 -0.32544 -0.32437 -0.32149 -0.31275 -0.30916 -0.30174 -0.28444 -0.27806 -0.24409 -0.07010 -0.00528 0.00229 0.00296 0.00795 0.01051 0.01401 0.01818 0.02023 0.02418 0.02685 0.03129 0.03430 0.03852 0.03993 0.04212 0.04639 0.04930 0.05319 0.05646 0.06059 0.06150 0.06330 0.06874 0.06989 0.07300 0.07794 0.08057 0.08119 0.08807 0.09093 0.09305 0.09469 0.10002 0.10201 0.10273 0.10579 0.10959 0.11150 0.11532 0.11739 0.12198 0.12568 0.13200 0.13797 0.14013 0.14042 0.14646 0.15032 0.15135 0.15296 0.15651 0.16066 0.16325 0.16579 0.16792 0.17151 0.17577 0.17810 0.18084 0.18348 0.18583 0.18773 0.19015 0.19032 0.19397 0.19868 0.20006 0.20356 0.20645 0.20732 0.20857 0.21112 0.21374 0.21646 0.21777 0.22056 0.22342 0.22850 0.23246 0.23296 0.23499 0.23708 0.24101 0.24210 0.24372 0.24695 0.25257 0.25449 0.25754 0.26078 0.26294 0.26607 0.26781 0.27406 0.27533 0.27889 0.28170 0.28452 0.28523 0.29212 0.29849 0.29915 0.30285 0.30757 0.31180 0.31467 0.31666 0.32005 0.32587 0.33087 0.33418 0.33749 0.34100 0.35071 0.35230 0.36128 0.36938 0.37672 0.38635 0.39242 0.39661 0.40267 0.40719 0.41415 0.42199 0.42524 0.42982 0.43603 0.43970 0.44674 0.44911 0.45371 0.47196 0.47376 0.48436 0.49253 0.49551 0.49725 0.50473 0.51002 0.51793 0.52300 0.52685 0.53450 0.54035 0.54700 0.55641 0.56108 0.56506 0.56941 0.57743 0.58069 0.58676 0.59815 0.60213 0.60803 0.61329 0.61735 0.62472 0.62862 0.63007 0.63752 0.63903 0.64430 0.64983 0.65456 0.65609 0.66210 0.66482 0.66915 0.67192 0.67478 0.67739 0.68481 0.68948 0.69107 0.69591 0.69868 0.70315 0.70617 0.70850 0.71253 0.71554 0.71621 0.71993 0.72485 0.72747 0.73290 0.74239 0.75033 0.75410 0.75966 0.76259 0.77013 0.77592 0.77811 0.78750 0.79289 0.80162 0.80677 0.80913 0.82235 0.82595 0.83738 0.84297 0.85460 0.86824 0.87419 0.88238 0.91144 0.91903 0.92463 0.93561 0.94861 0.94987 0.96465 0.96542 0.97838 0.99096 0.99559 1.00459 1.01280 1.01948 1.02989 1.03310 1.03702 1.05396 1.05889 1.08809 1.09408 1.09764 1.10471 1.11167 1.11737 1.13206 1.13282 1.15949 1.16220 1.17187 1.17473 1.18001 1.18446 1.19872 1.20293 1.20959 1.22029 1.23074 1.25180 1.27328 1.28475 1.29194 1.30374 1.31157 1.33901 1.34130 1.35034 1.40137 1.40339 1.41386 1.43272 1.43462 1.45165 1.45653 1.46118 1.46401 1.47042 1.47421 1.47724 1.48269 1.49492 1.49700 1.50154 1.51665 1.52277 1.53754 1.54202 1.54778 1.55062 1.56091 1.56483 1.57231 1.57553 1.57754 1.57884 1.59320 1.59449 1.59668 1.60692 1.60953 1.61630 1.62061 1.62307 1.62782 1.64223 1.64855 1.65365 1.65486 1.66467 1.67171 1.67804 1.68320 1.68893 1.70212 1.71254 1.71648 1.72333 1.72531 1.73023 1.74031 1.75319 1.75925 1.76863 1.77491 1.78423 1.78595 1.79418 1.79718 1.80489 1.80737 1.82414 1.82592 1.83336 1.83497 1.84214 1.85496 1.85793 1.87584 1.88300 1.90660 1.91746 1.93148 1.93576 1.96087 1.97164 1.97858 1.98265 1.98518 1.99554 1.99802 2.01238 2.03216 2.03565 2.05852 2.07185 2.08710 2.08958 2.09442 2.11162 2.11762 2.12800 2.14149 2.14275 2.14859 2.17062 2.17356 2.18215 2.20056 2.22075 2.22696 2.23551 2.25123 2.27202 2.28847 2.29116 2.31171 2.32600 2.32990 2.34131 2.35901 2.36729 2.37317 2.39329 2.40171 2.41705 2.42631 2.44018 2.45148 2.45279 2.45886 2.47454 2.48623 2.49564 2.49931 2.50774 2.50984 2.51526 2.51855 2.52439 2.52951 2.54307 2.54696 2.55490 2.55791 2.56536 2.56817 2.57376 2.58578 2.59843 2.60198 2.60745 2.61664 2.62123 2.62730 2.63621 2.63974 2.65238 2.66103 2.66806 2.66932 2.67785 2.69079 2.69366 2.70649 2.71771 2.72836 2.74252 2.74784 2.76134 2.76536 2.77214 2.77815 2.78799 2.79642 2.80409 2.80977 2.82106 2.82616 2.83874 2.84017 2.85370 2.86912 2.90504 2.91654 2.91857 2.93593 2.94198 2.95149 2.95881 2.96628 2.98238 2.99443 2.99991 3.00350 3.01035 3.01955 3.02257 3.04291 3.05756 3.06294 3.07965 3.08925 3.10100 3.11748 3.15319 3.16117 3.17667 3.19470 3.22346 3.22870 3.24558 3.26405 3.33641 3.36057 3.37491 3.39017 3.40492 3.41851 3.50889 3.53829 3.54165 3.58956 3.65299 3.68231 3.69209 3.77679 3.79107 3.79489 3.80056 3.80948 3.80984 3.81667 3.82806 3.84335 3.85417 3.86867 3.87194 3.88396 3.95250 4.01064 4.01665 4.06003 4.06947 4.12034 4.12418 4.21688 4.22889 4.25338 4.31575 4.32143 4.34874 4.42064 4.43708 4.52791 4.98435 5.06404 5.26113 5.38979 5.70212 5.88789 23.56096 23.67826 23.81432 23.85032 23.86058 23.88349 23.89775 23.90382 23.91822 23.93062 23.95815 23.97949 23.98814 23.99147 23.99295 24.20076 24.26888 25.15158 49.91000 50.04023 1-A. -2.0718 1.5494 0.4954 2.6341 -119.9506 -127.9298 -128.4457 3.8864 -0.3151 0.1842 5.4914 -2.4878 -3.0037 3.8864 -0.3151 0.1842 123.3098 10.7390 -4.6644 2.3901 44.7896 5.0605 2.8898 -3.1082 7.0525 -0.0841 -14838.6456 -1935.0195 -549.7590 326.6307 -57.1965 2.7105 7.9938 -19.0178 5.5761 -2978.8093 -2877.9386 -406.6526 -22.6940 19.1944 -35.7318 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.41,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5762,2.8211; 0.000000 2.254641 0.000000 8.085645 7.801360 0.000000 8.662962 7.987644 1.539554 0.000000 9.445785 8.585271 2.594470 1.532368 0.000000 10.326671 9.196190 3.948427 2.550561 1.532553 0.000000 11.358669 10.123176 5.183527 3.948480 2.593498 1.539257 0.000000 7.169047 6.945857 1.554471 2.586606 3.105517 4.556848 5.561225 0.000000 7.659260 7.614944 1.533896 2.527172 3.928407 5.073423 6.457105 2.543256 0.000000 12.411978 11.013837 6.446208 5.066606 3.922619 2.524420 1.534793 6.960327 7.577743 0.000000 10.863720 9.535741 5.609540 4.560321 3.142985 2.554119 1.535418 5.562217 6.967877 2.520939 0.000000 5.981010 5.515923 2.560779 3.063028 3.599613 4.783601 5.813482 1.498573 3.149588 7.106884 5.594304 0.000000 4.687471 4.495381 3.569910 4.234087 4.922389 6.050984 7.103157 2.516832 3.680663 8.350822 6.809999 1.341562 0.000000 3.621040 3.054347 4.838118 5.219516 5.853176 6.748397 7.760362 3.894499 4.840681 8.875280 7.330311 2.499107 1.464144 0.000000 4.420903 3.013927 5.266187 5.210474 5.626797 6.219158 7.124478 4.469111 5.475663 8.082448 6.591795 2.972455 2.549032 1.505791 0.000000 2.311743 2.423729 5.871285 6.414837 7.146189 8.078423 9.112847 4.921224 5.638468 10.225635 8.672668 3.674943 2.409455 1.355984 2.532758 0.000000 1.365713 1.213771 7.243493 7.649881 8.348126 9.137385 10.133293 6.337073 6.965508 11.142474 9.613309 5.012411 3.821690 2.529908 3.094764 1.468744 0.000000 1.443370 2.629569 9.454294 9.943403 10.703581 11.490101 12.493556 8.559902 9.008975 13.471602 11.945951 7.314872 6.056247 4.873040 5.406174 3.648733 2.369807 0.000000 2.354703 4.062212 10.324789 10.960616 11.789626 12.667667 13.707036 9.428404 9.771487 14.737747 13.190305 8.305550 6.990803 5.975637 6.702880 4.655953 3.609097 1.454341 0.000000 3.419887 5.257841 11.162719 11.892741 12.764175 13.699621 14.760503 10.273155 10.539399 15.824124 14.264824 9.240443 7.906324 7.002967 7.828618 5.656779 4.737797 2.654849 1.200857 0.000000 8.996211 8.817159 1.098044 2.142718 2.824495 4.207923 5.285230 2.137358 2.145173 6.578473 5.821528 3.456667 4.463919 5.810713 6.287297 6.802586 8.211623 10.391544 11.202156 11.992262 0.000000 9.445587 8.800536 2.148220 1.096772 2.153753 2.736628 4.178611 3.511028 2.712587 5.080250 5.096746 4.074280 5.156039 6.117682 6.108150 7.257314 8.466583 10.710218 11.699928 12.608935 2.448700 0.000000 7.977938 7.143034 2.166179 1.097570 2.160694 2.798807 4.253971 2.888156 2.739852 5.230911 4.712273 2.801636 3.830027 4.567462 4.393700 5.778114 6.903391 9.191713 10.272258 11.249292 3.052090 1.748069 0.000000 8.865434 7.958430 2.864677 2.161837 1.094241 2.160333 2.848461 2.786327 4.266979 4.281373 2.817086 3.057919 4.383106 5.251327 4.980629 6.565312 7.743916 10.108336 11.216995 12.208936 3.224625 3.059330 2.497408 0.000000 10.175655 9.462497 2.796728 2.160706 1.098175 2.160390 2.806688 3.357022 4.211302 4.181327 3.466229 4.212185 5.536799 6.617034 6.536443 7.866756 9.141634 11.481457 12.505501 13.435426 2.583583 2.530288 3.065516 1.752850 0.000000 9.787821 8.495344 4.256431 2.791853 2.160715 1.099010 2.159830 4.761057 5.209758 2.781661 2.781504 4.647169 5.804414 6.284216 5.572583 7.611082 8.548502 10.873309 12.106398 13.175706 4.757655 3.065927 2.590687 2.500490 3.065916 0.000000 10.953384 9.887167 4.171030 2.740689 2.151004 1.097232 2.156574 5.092551 5.109181 2.672034 3.486241 5.449873 6.688049 7.432587 6.971509 8.725312 9.799295 12.125180 13.272235 14.281747 4.317240 2.468878 3.086036 3.056767 2.519564 1.753927 0.000000 11.943433 10.854148 5.245268 4.192470 2.782040 2.144962 1.098966 5.668286 6.588870 2.145027 2.146618 6.178933 7.509414 8.323182 7.840534 9.658631 10.769550 13.138970 14.298052 15.313845 5.116981 4.343596 4.742245 3.134282 2.545548 3.051329 2.500778 0.000000 7.865465 7.524520 2.169888 2.868503 2.814568 4.290622 5.031240 1.096047 3.472990 6.514341 4.896685 2.123322 3.244319 4.523843 4.918156 5.609445 6.986630 9.234355 10.135787 10.996417 2.389931 3.826716 3.337519 2.295702 2.876906 4.639520 4.945365 5.033222 0.000000 6.999442 7.121335 2.167505 3.511360 4.114290 5.599462 6.578427 1.094823 2.709586 7.999477 6.567946 2.135460 2.643388 4.105711 4.987504 4.887870 6.351945 8.429878 9.153026 9.902178 2.470351 4.302644 3.844918 3.825822 4.204283 5.843462 6.074016 6.596634 1.756759 0.000000 6.814751 6.685051 2.179277 2.813766 4.254467 5.261097 6.697097 2.817260 1.094166 7.749023 7.100235 2.861437 3.149790 4.082213 4.683761 4.843453 6.085265 8.116660 8.930566 9.741709 3.065510 3.115416 2.577840 4.467447 4.773353 5.166604 5.374584 6.996178 3.844032 3.073332 0.000000 8.536871 8.449962 2.179439 2.749352 4.196239 5.141384 6.571786 3.501785 1.093767 7.551374 7.301043 4.143289 4.719933 5.793593 6.316708 6.582636 7.848895 9.847016 10.599038 11.350916 2.499295 2.476999 3.039622 4.770630 4.409659 5.325897 4.941546 6.665036 4.313682 3.716956 1.769080 0.000000 7.541301 7.810841 2.183944 3.487876 4.761610 6.024710 7.336932 2.778428 1.094149 8.531081 7.775299 3.518144 3.800469 5.045472 5.933185 5.647618 7.017134 8.925697 9.547433 10.219849 2.486543 3.706493 3.766212 4.998555 4.899087 6.219545 6.090178 7.381982 3.722429 2.490401 1.766856 1.768758 0.000000 12.044193 10.508057 6.701922 5.249158 4.263883 2.794090 2.177630 7.167147 7.730448 1.095763 2.790099 7.091116 8.250991 8.604266 7.669357 9.937838 10.740383 13.024672 14.334867 15.450374 7.000664 5.309883 5.182351 4.527803 4.761899 2.602160 3.021842 3.064850 6.819730 8.244364 7.748271 7.730735 8.733034 0.000000 12.918378 11.593563 6.537848 5.134825 4.174543 2.763850 2.186080 7.274446 7.557753 1.094118 3.483638 7.538526 8.791348 9.386274 8.670747 10.721729 11.677437 14.003389 15.240696 16.306816 6.591171 4.913067 5.375473 4.769734 4.332075 3.134997 2.452837 2.496090 6.912430 8.283433 7.792693 7.374847 8.525475 1.768572 0.000000 13.217739 11.780059 7.329191 6.020850 4.757225 3.486487 2.184740 7.741669 8.537789 1.093995 2.759437 7.913598 9.165715 9.681767 8.857508 11.036421 11.937056 14.262988 15.542493 16.636781 7.391228 6.077321 6.231831 4.999919 4.883144 3.787955 3.688271 2.497508 7.183961 8.760167 8.743321 8.542802 9.454333 1.767712 1.769295 0.000000 10.284550 9.108381 5.076741 4.282779 2.856259 2.844048 2.195282 4.810530 6.511241 3.486777 1.092617 4.919506 6.133923 6.755374 6.174472 8.072846 9.086194 11.417696 12.609287 13.650323 5.253922 4.981357 4.523761 2.247691 3.080047 3.177206 3.855233 2.490571 4.031370 5.753668 6.690952 6.968186 7.213478 3.815325 4.344437 3.753536 0.000000 11.766597 10.395625 6.614808 5.605953 4.143892 3.505095 2.180433 6.521791 8.009004 2.733057 1.093897 6.588928 7.786138 8.280613 7.507557 9.607878 10.512600 12.819773 14.074012 15.153069 6.741485 6.096864 5.800909 3.824837 4.301691 3.774583 4.315126 2.510771 5.768650 7.486642 8.176596 8.330560 8.788542 3.089577 3.743986 2.517342 1.763231 0.000000 10.341665 8.851544 5.833489 4.709516 3.500284 2.801887 2.176783 5.724402 7.073676 2.807587 1.096085 5.470151 6.582555 6.895450 5.976531 8.228531 9.044706 11.342722 12.640631 13.750591 6.233329 5.296732 4.602639 3.082723 4.097707 2.579900 3.770680 3.064918 5.194759 6.769223 7.036463 7.442790 7.930098 2.631244 3.815317 3.154066 1.769174 1.767790 0.000000 6.362484 5.501990 2.953253 2.886335 3.162586 4.100750 5.074169 2.202679 3.712716 6.288152 4.770121 1.086375 2.099414 2.742032 2.615891 4.072693 5.232578 7.596959 8.716692 9.728762 3.875839 3.931961 2.422751 2.519400 3.971519 3.810275 4.870765 5.586385 2.499798 3.082379 3.355924 4.561294 4.307979 6.177262 6.794670 7.088999 4.205121 5.779994 4.515585 0.000000 4.607815 4.932293 3.773504 4.757620 5.551744 6.805262 7.881150 2.724344 3.655264 9.181533 7.652663 2.090074 1.088347 2.171863 3.513625 2.570844 4.036330 6.041240 6.776407 7.570566 4.524609 5.599481 4.510398 5.087153 6.018666 6.666190 7.369618 8.181282 3.529812 2.396091 3.250404 4.721428 3.455417 9.156321 9.566594 9.998082 6.913339 8.617337 7.519701 3.056220 0.000000 5.145003 3.732435 5.294444 5.171503 5.290677 5.869472 6.579207 4.347483 5.796428 7.587536 5.860614 2.927382 2.821107 2.141581 1.094570 3.240737 3.848484 6.117530 7.406749 8.524686 6.232872 6.155355 4.472650 4.489774 6.158977 5.280794 6.742190 7.277926 4.552752 4.946363 5.160583 6.668541 6.272163 7.216124 8.276937 8.270666 5.386400 6.706446 5.256774 2.386480 3.830515 0.000000 4.043065 2.213458 6.319328 6.219883 6.631807 7.107088 7.967505 5.541779 6.432415 8.821775 7.373824 4.043384 3.472920 2.161527 1.085024 2.682396 2.679008 4.789435 6.175029 7.347475 7.353930 7.073477 5.341828 5.987334 7.571476 6.370757 7.851611 8.745329 5.990727 6.011648 5.567137 7.238932 6.869887 8.310842 9.434866 9.573794 7.022339 8.241074 6.657883 3.688271 4.324772 1.773999 0.000000 5.144439 3.729880 4.823552 4.542622 5.062045 5.512066 6.536741 4.336990 4.979626 7.396445 6.191363 2.925889 2.819066 2.141321 1.094662 3.239672 3.846996 6.116903 7.406075 8.523962 5.888419 5.341601 3.604834 4.579886 6.048870 4.786574 6.173109 7.304237 4.852322 5.000022 4.142306 5.693343 5.599616 6.942317 7.903794 8.243160 5.907059 7.166162 5.552426 2.386874 3.826819 1.759865 1.773893 0.000000 2.377358 3.298891 5.885649 6.665677 7.482834 8.554103 9.625773 4.920072 5.523811 10.813841 9.250662 3.918276 2.576779 2.106197 3.501705 1.084054 2.150426 3.820447 4.520773 5.359783 6.723800 7.472800 6.157389 6.948210 8.094146 8.195267 9.152338 10.075666 5.665737 4.649001 4.827054 6.487338 5.324787 10.610702 11.261976 11.634858 8.578726 10.194616 8.909114 4.556456 2.259721 4.128124 3.759098 4.127247 0.000000 2.081322 2.583014 9.600862 9.967160 10.782055 11.458810 12.508429 8.844227 9.082585 13.390539 12.027079 7.549059 6.347598 5.090786 5.438563 3.984326 2.636741 1.094010 2.109890 3.206966 10.588313 10.669095 9.136283 10.251764 11.622376 10.769511 12.042442 13.212702 9.567633 8.805199 8.117465 9.841553 9.089993 12.877502 13.886006 14.212954 11.586803 12.922406 11.363930 7.740865 6.433808 6.255374 4.724374 6.001846 4.302333 0.000000 2.081277 2.586106 9.846403 10.269722 10.891820 11.635629 12.531241 8.849643 9.555529 13.497716 11.860579 7.549873 6.348603 5.090911 5.438705 3.984914 2.638214 1.094024 2.109885 3.207022 10.784178 11.099695 9.512906 10.212222 11.680565 10.998804 12.344633 13.198705 9.419405 8.774995 8.682094 10.436879 9.519615 13.027879 14.102524 14.229543 11.330476 12.673559 11.222836 7.741052 6.436012 6.002697 4.724493 6.255017 4.302803 1.761614 0.000000 4.418932 6.317171 11.951634 12.751418 13.653134 14.631273 15.707464 11.071378 11.277660 16.795917 15.228786 10.111009 8.770361 7.949898 8.839433 6.595451 5.759401 3.717597 2.263641 1.062796 12.740436 13.447795 12.144113 13.112487 14.288169 14.136948 15.195137 16.230544 11.803425 10.629639 10.517753 12.072542 10.886016 16.445360 17.262273 17.614210 14.589133 16.119766 14.742471 10.653973 8.350344 9.528898 8.390603 9.528146 6.198458 4.226199 4.226270 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2499,-.1803,.0448;4.0037,-1.9633,-.548;-2.3881,2.4728,.0248;-3.2287,1.4225,-.7238;-4.1641,.5861,.1557;-5.0511,-.3608,-.6601;-6.0642,-1.1791,.1605;-1.5261,1.8725,1.1706;-1.5163,3.2665,-.9565;-7.0079,-1.9518,-.7712;-5.3792,-2.1389,1.1438;-.6156,.7656,.7329;.7224,.8506,.6864;1.6345,-.2064,.2452;1.0429,-1.5157,-.2054;2.9623,.0674,.2683;4.0588,-.8261,-.1274;6.4184,-.9504,-.3085;7.6011,-.1365,-.0759;8.5997,.5058,.1037;-3.0853,3.1732,.5034;-3.8262,1.9446,-1.4811;-2.561,.7547,-1.2831;-3.5747,.0075,.8735;-4.7992,1.2558,.7508;-4.4153,-1.0536,-1.2289;-5.5993,.2282,-1.4061;-6.6696,-.4709,.7433;-2.1954,1.4928,1.9511;-.9407,2.6783,1.6251;-.7841,2.6154,-1.4436;-2.1272,3.7288,-1.7371;-.9657,4.062,-.4455;-6.4476,-2.672,-1.3779;-7.5341,-1.2786,-1.4546;-7.7587,-2.5093,-.2035;-4.7683,-1.61,1.8792;-6.1185,-2.7286,1.6936;-4.7284,-2.8388,.6071;-1.1013,-.1554,.4229;1.1913,1.7816,.9992;.4538,-1.9565,.605;1.8059,-2.2237,-.5119;.3587,-1.3459,-1.0428;3.291,1.0422,.6104;6.3515,-1.2534,-1.3576;6.4476,-1.8644,.2919;9.4797,1.0796,.2649; 0.6662297 0.0843377 0.0776325 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= 606 606 606 606 606 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= 608 RedAO= T EigKep= 1.34D-06 NBF= 608 NBsUse= 606 1.00D-06 EigRej= 3.84D-07 NBFU= 606 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= 606 606 606 606 606 MxSgAt= 48 MxSgA2= 48. 1 -8.15123948e-01 6.09589930e-01 1.94897661e-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 8 8 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 1 1 1 1 1 1 1 1 1 -0.004245477 -0.010759714 0.006376872 0.009456122 0.011596145 -0.006430937 -0.002813598 -0.000060474 0.001120776 0.000052193 0.002280444 0.001630039 0.000221555 -0.001554319 -0.001728495 0.000156372 0.001135263 0.002030557 -0.001300258 0.000181082 -0.000101278 -0.000295353 -0.003515196 -0.002903416 0.000465880 -0.000990936 0.004341670 -0.001477360 0.003728567 -0.000291550 0.001293183 -0.001862961 -0.003592243 -0.001511680 0.002155044 -0.003247969 0.002041452 -0.001994908 0.001001566 -0.004595235 0.001045398 -0.000766961 0.002922841 0.003433193 -0.001768042 0.002268757 -0.003495312 0.002320481 -0.013692426 0.001282529 -0.001875622 0.012562646 -0.002692615 0.002205130 0.000739056 0.001824630 -0.001061697 0.001374382 -0.004144249 0.003010279 -0.001332148 -0.000226211 -0.000127459 -0.000782390 0.000603849 0.000877201 0.001189677 0.000005828 -0.000174912 0.000429305 -0.000197689 -0.000121407 -0.001359691 -0.000536653 -0.000023220 0.001437242 0.000487090 -0.000197133 -0.000816174 0.000504227 0.000944206 -0.001318029 -0.000757913 0.000078369 -0.000692770 0.000527054 -0.000999272 0.000039790 -0.001102377 0.000745907 0.001799926 0.000504098 -0.000440365 -0.001173652 0.001281126 0.001206011 -0.000011332 -0.002070089 0.000262579 0.002127518 0.000635712 0.000148288 -0.001127906 0.000465901 0.001724195 -0.000887739 0.000447095 -0.001995576 0.000069301 -0.001812134 0.000096649 -0.000959672 0.000858256 -0.001679664 0.001962852 0.001010847 0.000522010 -0.000371565 0.000426127 0.000124304 -0.000148287 -0.001029981 0.000615838 -0.001112593 -0.000233841 -0.001768733 0.002259163 -0.000846765 0.000606653 -0.001188181 0.001395024 0.000978533 0.001494970 -0.000747976 0.000504054 -0.001666908 0.001711597 -0.000285743 -0.001491732 0.000900452 -0.001557062 0.000007973 0.000205733 -0.000333410 0.013692426 0.002794155 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -853.438687435049 -853.438689559800 -0.000002124752 -853.438689580188 -0.000000020387 -853.438689581450 -0.000000001262 -853.438689582361 -0.000000000911 -853.438689582503 -0.000000000142 -853.438689582377 0.000000000126 -853.438689582 7 8.495033970990e+02 -4.830467121369e+03 1.703899958156e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414776442 LenY= 1414381430 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) PT45311.400S Wed Sep 4 19:18:27 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O 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 H H H H H H H H H -0.042046 -0.291822 0.482243 -0.518797 -0.075926 -0.483193 0.308402 -0.591736 -0.757944 -0.612615 -0.566739 0.118995 -0.052680 0.832443 -0.907862 -0.447238 -0.148154 -0.235621 1.066569 -1.127544 0.130102 0.135796 0.153689 0.120201 0.137266 0.142065 0.138113 0.126779 0.163174 0.139933 0.161171 0.135345 0.139473 0.136499 0.133269 0.134619 0.134910 0.134293 0.138249 0.145062 0.109088 0.157283 0.188049 0.152762 0.130292 0.187101 0.186432 0.160248 -0.00000 -19.17161 -19.11228 -10.30508 -10.25723 -10.21243 -10.18931 -10.18415 -10.18382 -10.18343 -10.18342 -10.17980 -10.17658 -10.17597 -10.16940 -10.16917 -10.16759 -10.16675 -10.16085 -10.15982 -10.15904 -1.11094 -1.02322 -0.84874 -0.83066 -0.81382 -0.80063 -0.77535 -0.75055 -0.73509 -0.70484 -0.69380 -0.68730 -0.67945 -0.63411 -0.60977 -0.58372 -0.56430 -0.55545 -0.54867 -0.54046 -0.50805 -0.50016 -0.49968 -0.48789 -0.47317 -0.46783 -0.46231 -0.45030 -0.44272 -0.44160 -0.43259 -0.42880 -0.41605 -0.41374 -0.40355 -0.39767 -0.38830 -0.38378 -0.38122 -0.37681 -0.36999 -0.36724 -0.36152 -0.35377 -0.34507 -0.34305 -0.32705 -0.32608 -0.32416 -0.31940 -0.31264 -0.30956 -0.30139 -0.28442 -0.27822 -0.24439 -0.07300 -0.00554 0.00172 0.00211 0.00685 0.01034 0.01366 0.01725 0.01974 0.02313 0.02678 0.03109 0.03314 0.03841 0.03953 0.04184 0.04603 0.04894 0.05293 0.05596 0.05973 0.06160 0.06261 0.06812 0.06960 0.07274 0.07711 0.07941 0.08071 0.08753 0.08997 0.09256 0.09482 0.09872 0.10206 0.10257 0.10500 0.10939 0.11037 0.11524 0.11609 0.12091 0.12544 0.13128 0.13745 0.13845 0.14025 0.14716 0.14938 0.15027 0.15211 0.15553 0.15909 0.16210 0.16519 0.16759 0.17040 0.17435 0.17631 0.17985 0.18185 0.18290 0.18609 0.18821 0.18975 0.19131 0.19738 0.19868 0.20156 0.20507 0.20533 0.20784 0.21085 0.21331 0.21535 0.21623 0.21959 0.22276 0.22673 0.23063 0.23237 0.23356 0.23607 0.23861 0.24031 0.24184 0.24473 0.24963 0.25294 0.25532 0.25913 0.26043 0.26382 0.26673 0.27149 0.27379 0.27623 0.27975 0.28218 0.28336 0.28953 0.29547 0.29768 0.30285 0.30810 0.31016 0.31132 0.31343 0.31919 0.32700 0.32790 0.33307 0.33425 0.33784 0.34883 0.34997 0.36031 0.36739 0.37559 0.38432 0.38993 0.39596 0.40061 0.40356 0.41330 0.41803 0.42499 0.42925 0.43538 0.43736 0.44588 0.44856 0.45170 0.47048 0.47205 0.48158 0.49005 0.49358 0.49455 0.50277 0.50932 0.51503 0.52056 0.52242 0.52929 0.53846 0.54425 0.55292 0.56019 0.56212 0.56769 0.57727 0.57977 0.58544 0.59674 0.59763 0.60538 0.61115 0.61399 0.62136 0.62683 0.62731 0.63166 0.63609 0.64109 0.64601 0.65198 0.65339 0.66051 0.66568 0.66667 0.66773 0.67300 0.67610 0.68147 0.68856 0.69007 0.69506 0.69705 0.69975 0.70454 0.70648 0.70973 0.71295 0.71454 0.71918 0.72222 0.72460 0.73074 0.73733 0.74713 0.75247 0.75750 0.76067 0.76701 0.77477 0.77735 0.78589 0.79007 0.80063 0.80525 0.80786 0.82079 0.82378 0.83591 0.83909 0.85223 0.86736 0.87258 0.88281 0.90719 0.92006 0.92369 0.93119 0.94362 0.95098 0.96298 0.96795 0.97606 0.98706 0.99447 1.00413 1.01140 1.01575 1.02576 1.03026 1.03157 1.05248 1.05822 1.08524 1.09430 1.09777 1.10196 1.10963 1.11737 1.13284 1.13318 1.15687 1.15992 1.17085 1.17428 1.17876 1.18412 1.19343 1.19955 1.20990 1.21902 1.22961 1.24804 1.26990 1.28060 1.29070 1.30099 1.30727 1.33624 1.33788 1.34771 1.39908 1.40163 1.41041 1.43158 1.43338 1.44911 1.45239 1.45760 1.46133 1.46626 1.47021 1.47323 1.48131 1.49078 1.49286 1.50057 1.51374 1.51833 1.53236 1.53759 1.54437 1.54773 1.55511 1.55905 1.56918 1.57103 1.57272 1.57525 1.58734 1.59009 1.59210 1.60278 1.60397 1.61055 1.61549 1.61859 1.62285 1.63462 1.64453 1.64841 1.64973 1.65774 1.66550 1.67257 1.67869 1.68083 1.69436 1.70597 1.70948 1.71511 1.71852 1.73344 1.73539 1.74790 1.75391 1.76244 1.77085 1.77653 1.77949 1.78962 1.79203 1.79949 1.80214 1.81788 1.82070 1.82967 1.83233 1.83877 1.84739 1.85206 1.86979 1.87743 1.89746 1.90948 1.92547 1.92893 1.95691 1.96574 1.97363 1.97798 1.98162 1.99152 1.99429 2.01049 2.02683 2.03201 2.05424 2.06549 2.07990 2.08559 2.09002 2.10518 2.10682 2.11993 2.13520 2.13675 2.13915 2.16256 2.16718 2.17360 2.19176 2.21570 2.22369 2.22701 2.24483 2.26581 2.28189 2.28554 2.30498 2.31927 2.32096 2.33423 2.35227 2.35646 2.37111 2.38645 2.39598 2.41203 2.42050 2.43713 2.44608 2.44925 2.45302 2.46506 2.48138 2.49173 2.49335 2.50102 2.50436 2.51333 2.51371 2.51837 2.52304 2.53550 2.54054 2.55018 2.55281 2.56080 2.56340 2.56804 2.58299 2.59193 2.59706 2.60416 2.61436 2.61905 2.62166 2.63213 2.63466 2.64373 2.65881 2.66411 2.66746 2.67363 2.68945 2.69086 2.69896 2.71102 2.72107 2.73518 2.74137 2.75357 2.75642 2.76003 2.77103 2.78274 2.79214 2.79378 2.80046 2.81191 2.81855 2.82631 2.83555 2.84922 2.86787 2.89840 2.90921 2.91188 2.92796 2.93134 2.93845 2.94754 2.95661 2.96892 2.98596 2.98982 2.99765 3.00213 3.01351 3.01822 3.03085 3.03963 3.05481 3.06901 3.07295 3.08611 3.11036 3.13768 3.14647 3.16174 3.18312 3.19921 3.21051 3.23231 3.25751 3.32258 3.34937 3.36406 3.37329 3.38799 3.40086 3.48427 3.51866 3.53606 3.57707 3.63391 3.66826 3.67517 3.77022 3.78273 3.79158 3.79247 3.79714 3.80054 3.80744 3.82054 3.83671 3.84588 3.86098 3.86888 3.87666 3.94452 3.99192 3.99889 4.04616 4.07067 4.09917 4.10321 4.19531 4.21682 4.23663 4.29217 4.29901 4.32667 4.40082 4.42045 4.52067 4.98443 5.06193 5.25965 5.37540 5.66191 5.86178 23.55588 23.67089 23.80304 23.83176 23.84020 23.86522 23.88517 23.89169 23.90947 23.91887 23.94352 23.96720 23.97469 23.97834 23.97938 24.16994 24.24169 25.14111 49.90513 50.02744 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 O O 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 H H H H H H H H H -0.060007 -0.287323 0.491556 -0.530102 -0.095539 -0.472231 0.307765 -0.598194 -0.746572 -0.608410 -0.571590 0.148107 -0.082262 0.845522 -0.911276 -0.416330 -0.188007 -0.261068 1.066223 -1.096252 0.130297 0.136535 0.152784 0.118661 0.137701 0.141593 0.138348 0.126746 0.165787 0.139044 0.160546 0.135659 0.140072 0.137127 0.134057 0.135255 0.135384 0.135085 0.138837 0.146788 0.111442 0.157286 0.189327 0.152827 0.132846 0.187248 0.187504 0.161205 -0.00000 -8.72050270e-01 6.07194541e-01 2.14076224e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.2165 1.5433 0.5441 2.7552 -119.7623 -128.0433 -128.6399 3.3008 0.2315 0.3019 5.7195 -2.5615 -3.1581 3.3008 0.2315 0.3019 129.1972 9.8648 -5.6826 -0.4309 40.7749 11.7213 2.5512 -2.1533 8.1980 1.8308 -14672.6850 -2040.8197 -545.6646 298.1582 30.9584 -10.6243 8.8070 -27.1647 6.2055 -3033.1616 -2873.9540 -425.7968 -2.5771 21.0158 -28.8459 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -853.4386896 8.121E-9 5.222E-6 0.0325659,1.1993181,-1.231884,-3.0367398,2.1114092,-2.1342887 C01 [X(C18H28O2)] -1.0835604 -0.0161256 0.0249448 -0.000010843 -0.000006573 0.000006848 -0.000016034 -0.000016978 0.000008897 -0.000000974 0.000008224 0.000003870 -0.000002163 -0.000010740 -0.000003748 0.000004956 0.000002506 0.000002407 -0.000001843 -0.000002402 -0.000005479 0.000001800 0.000003698 0.000001408 0.000007045 0.000001925 -0.000000365 -0.000000689 -0.000001148 -0.000008913 0.000000864 -0.000008037 0.000000808 -0.000002938 0.000002625 0.000006026 -0.000006048 -0.000002343 -0.000000924 0.000003003 0.000005253 0.000000989 0.000001811 0.000000679 -0.000000544 -0.000005551 -0.000006893 0.000006986 -0.000006776 -0.000005708 0.000001549 0.000029920 0.000026615 -0.000015766 0.000010366 0.000003726 -0.000004807 -0.000000148 -0.000001723 0.000001047 -0.000000057 -0.000001615 0.000001718 -0.000001874 -0.000002871 -0.000000880 -0.000001700 0.000001668 0.000001648 0.000002145 0.000002600 0.000001215 -0.000001484 -0.000002579 -0.000002259 -0.000002368 -0.000000531 -0.000000569 0.000001889 0.000001361 0.000001878 -0.000000278 0.000001220 0.000002559 -0.000001973 -0.000000926 -0.000000963 -0.000001716 0.000000071 -0.000001912 -0.000001633 -0.000002450 -0.000001448 0.000001967 0.000000213 0.000001851 -0.000000415 0.000000987 0.000003370 -0.000001338 -0.000001974 0.000000846 0.000001593 0.000002958 0.000000735 -0.000001425 0.000001964 0.000001634 -0.000000536 0.000001678 -0.000001235 0.000001401 -0.000002164 -0.000000862 0.000000165 0.000000080 -0.000002663 0.000002618 0.000000689 -0.000000823 0.000000679 0.000001415 -0.000001554 -0.000000922 -0.000001961 0.000000767 0.000002110 0.000001809 -0.000003433 0.000002471 0.000002395 -0.000001063 -0.000000759 0.000002384 -0.000000106 -0.000001627 0.000000076 -0.000000218 -0.000001426 -0.000000017 0.000002040 -0.000001740 0.000000641 0.000000312 0.000000476 0.000000174 -0.000000874 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.4099,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5763,2.8211; Gaussian 16 GINC-CIBELES25 ALCAMI Optimization Kinoprene CONF342 gas EM64L-G16RevC.01 138 C1[X(C18H28O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.41,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5762,2.8211; Optimization Kinoprene CONF342 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 16 16 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 1 1 1 1 1 1 1 1 1 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 15 16 16 18 18 18 19 20 17 18 17 4 8 9 21 5 22 23 6 24 25 7 26 27 10 11 28 12 29 30 31 32 33 34 35 36 37 38 39 13 40 14 41 15 16 42 43 44 17 45 19 46 47 20 48 1.3657 1.4434 1.2138 1.5396 1.5545 1.5339 1.098 1.5324 1.0968 1.0976 1.5326 1.0942 1.0982 1.5393 1.099 1.0972 1.5348 1.5354 1.099 1.4986 1.096 1.0948 1.0942 1.0938 1.0941 1.0958 1.0941 1.094 1.0926 1.0939 1.0961 1.3416 1.0864 1.4641 1.0883 1.5058 1.356 1.0946 1.085 1.0947 1.4687 1.0841 1.4543 1.094 1.094 1.2009 1.0628 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 17 4 4 4 8 8 9 3 3 3 5 5 22 4 4 4 6 6 24 5 5 5 7 7 26 6 6 6 10 10 11 3 3 3 12 12 29 3 3 3 31 31 32 7 7 7 34 34 35 7 7 7 37 37 38 8 8 13 12 12 14 13 13 15 14 14 14 42 42 43 14 14 17 1 1 2 1 1 1 19 19 46 1 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 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 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 18 8 9 21 9 21 21 5 22 23 22 23 23 6 24 25 24 25 25 7 26 27 26 27 27 10 11 28 11 28 28 12 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 13 40 40 14 41 41 15 16 16 42 43 44 43 44 44 17 45 45 2 16 16 19 46 47 46 47 47 115.0215 113.4394 110.623 107.4756 110.8707 106.0919 108.0409 115.2528 107.9668 109.3083 108.8784 109.3725 105.6182 112.6464 109.6557 109.3384 109.525 109.301 106.1658 115.1917 109.278 108.6266 108.7536 108.6033 105.9938 110.4108 112.3405 107.6152 110.3894 107.9178 107.9979 114.0069 108.6682 108.5539 108.8518 109.8801 106.6151 110.9322 110.969 111.3058 107.9114 107.6863 107.8839 110.6429 111.4151 111.3154 107.7263 107.6589 107.9176 112.2036 110.9332 110.5129 107.4936 107.8643 107.6497 124.699 115.971 119.3237 125.8727 118.2934 115.8339 118.241 117.3308 124.4278 109.8789 112.065 109.8529 108.9591 107.0033 108.9428 127.1333 118.9309 113.9358 121.7587 109.2369 129.0045 108.7025 109.4524 109.4479 110.9865 110.9852 107.2423 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A83 A84 A85 A86 18 19 18 19 19 20 19 20 20 48 20 48 33 33 33 33 -1 -1 -2 -2 181.7922 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.6399 180.6005 179.8687 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 18 18 17 17 17 8 8 8 9 9 9 21 21 21 4 4 4 9 9 9 21 21 21 4 4 4 8 8 8 21 21 21 3 3 3 22 22 22 23 23 23 4 4 4 24 24 24 25 25 25 5 5 5 26 26 26 27 27 27 6 6 6 11 11 11 28 28 28 6 6 6 10 10 10 28 28 28 3 3 29 29 30 30 8 8 40 40 12 12 41 41 13 13 13 16 16 16 13 13 15 15 14 14 45 45 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 16 16 16 16 17 17 18 18 18 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 17 17 17 17 2 16 19 46 47 5 22 23 5 22 23 5 22 23 12 29 30 12 29 30 12 29 30 31 32 33 31 32 33 31 32 33 6 24 25 6 24 25 6 24 25 7 26 27 7 26 27 7 26 27 10 11 28 10 11 28 10 11 28 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 13 40 13 40 13 40 14 41 14 41 15 16 15 16 42 43 44 42 43 44 17 45 17 45 1 2 1 2 -0.0238 179.9777 179.8957 58.5254 -58.7383 55.9093 177.8505 -67.724 -178.777 -56.8358 57.5896 -61.0413 60.8999 175.3253 55.3938 -66.1962 178.224 -69.787 168.6229 53.0431 173.1513 51.5612 -64.0186 -64.0292 55.9194 176.0824 62.7224 -177.3289 -57.1659 178.5819 -61.4694 58.6935 175.4488 -62.3045 53.7147 53.9994 176.2461 -67.7347 -60.9517 61.295 177.3142 -177.0728 60.181 -55.0283 60.607 -62.1393 -177.3486 -55.3175 -178.0638 66.7269 172.8983 -63.403 55.3459 -64.0758 59.6228 178.3717 50.8414 174.54 -66.7111 62.4808 -57.337 -177.8519 -62.3385 177.8437 57.3288 179.8466 60.0289 -60.4861 61.3778 -178.3735 -59.0515 -174.9116 -54.663 64.659 -57.146 63.1027 -177.5753 111.1841 -67.8964 -127.3274 53.592 -10.9194 170.0001 -179.0551 0.8447 -0.0032 179.8966 0.171 179.987 -179.731 0.085 -58.8502 179.8613 58.6116 121.348 0.0595 -121.1903 -179.8234 0.1987 -0.0198 -179.9978 -179.8621 0.1396 0.1168 -179.8816 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00138 0.00144 0.00191 0.00212 0.00235 0.00255 0.00267 0.00311 0.00367 0.00383 0.00462 0.00594 0.00772 0.01591 0.01846 0.01986 0.02144 0.02276 0.02655 0.02702 0.02905 0.03301 0.03491 0.03676 0.03807 0.03879 0.03881 0.03937 0.04016 0.04295 0.04369 0.04408 0.04473 0.04483 0.04495 0.04586 0.04602 0.04619 0.04658 0.04718 0.04787 0.04802 0.05715 0.05821 0.06293 0.06869 0.07156 0.07553 0.07671 0.07820 0.08364 0.08958 0.09941 0.10634 0.11020 0.11875 0.11953 0.12042 0.12167 0.12240 0.12299 0.12631 0.13085 0.13201 0.13382 0.13458 0.13633 0.14035 0.14310 0.14345 0.14510 0.14720 0.15084 0.16977 0.17182 0.17546 0.17627 0.18105 0.18239 0.18474 0.19188 0.19406 0.19781 0.20805 0.21894 0.21994 0.22746 0.24767 0.25282 0.26763 0.26885 0.27112 0.27701 0.28211 0.29040 0.29379 0.29781 0.30335 0.31351 0.31661 0.31776 0.31978 0.32090 0.32317 0.32519 0.32663 0.32671 0.32732 0.32740 0.32819 0.32895 0.32918 0.33040 0.33084 0.33113 0.33237 0.33307 0.33445 0.33454 0.33718 0.33732 0.33983 0.34075 0.34274 0.34494 0.35013 0.35065 0.35782 0.36527 0.37857 0.38427 0.41176 0.44349 0.47249 0.59278 0.62274 0.82105 1.09610 Angle between quadratic step and forces= 79.92 degrees. 1 2 0.00049847 0.00000011 0.00000006 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 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 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 2.58082 2.72757 2.29369 2.90933 2.93752 2.89864 2.07500 2.89575 2.07260 2.07411 2.89611 2.06782 2.07525 2.90877 2.07683 2.07347 2.90034 2.90152 2.07674 2.83189 2.07123 2.06892 2.06767 2.06692 2.06764 2.07069 2.06758 2.06735 2.06475 2.06717 2.07130 2.53518 2.05295 2.76683 2.05668 2.84553 2.56244 2.06844 2.05040 2.06861 2.77552 2.04856 2.74831 2.06738 2.06741 2.26929 2.00839 2.00750 1.97989 1.93074 1.87580 1.93506 1.85165 1.88567 2.01154 1.88438 1.90779 1.90029 1.90891 1.84338 1.96605 1.91385 1.90831 1.91157 1.90766 1.85294 2.01047 1.90726 1.89589 1.89811 1.89548 1.84994 1.92703 1.96071 1.87824 1.92666 1.88352 1.88492 1.98980 1.89662 1.89462 1.89982 1.91777 1.86078 1.93613 1.93677 1.94265 1.88341 1.87948 1.88293 1.93108 1.94456 1.94282 1.88018 1.87900 1.88352 1.95832 1.93615 1.92881 1.87612 1.88259 1.87884 2.17641 2.02408 2.08259 2.19689 2.06461 2.02168 2.06370 2.04781 2.17168 1.91775 1.95590 1.91729 1.90170 1.86756 1.90141 2.21889 2.07574 1.98856 2.12509 1.90654 2.25155 1.89722 1.91030 1.91023 1.93708 1.93706 1.87173 3.17287 3.13531 3.15207 3.13930 -0.00042 3.14120 3.13977 1.02146 -1.02518 0.97580 3.10408 -1.18201 -3.12025 -0.99197 1.00513 -1.06537 1.06290 3.06000 0.96681 -1.15534 3.11059 -1.21801 2.94303 0.92578 3.02206 0.89991 -1.11734 -1.11752 0.97598 3.07322 1.09471 -3.09497 -0.99773 3.11684 -1.07284 1.02440 3.06216 -1.08742 0.93750 0.94247 3.07607 -1.18219 -1.06381 1.06980 3.09472 -3.09050 1.05036 -0.96043 1.05779 -1.08454 -3.09532 -0.96547 -3.10780 1.16460 3.01765 -1.10659 0.96597 -1.11833 1.04061 3.11317 0.88735 3.04630 -1.16433 1.09050 -1.00072 -3.10410 -1.08801 3.10396 1.00058 3.13892 1.04770 -1.05568 1.07125 -3.11321 -1.03064 -3.05278 -0.95405 1.12851 -0.99739 1.10135 -3.09927 1.94053 -1.18502 -2.22228 0.93536 -0.19058 2.96706 -3.12510 0.01474 -0.00006 3.13979 0.00298 3.14137 -3.13690 0.00148 -1.02713 3.13917 1.02297 2.11792 0.00104 -2.11517 -3.13851 0.00347 -0.00035 -3.14155 -3.13919 0.00244 0.00204 -3.13953 0.00001 0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00001 -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 0.00001 -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 0.00002 0.00004 -0.00004 -0.00003 0.00003 -0.00001 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00000 0.00004 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00003 -0.00002 0.00001 0.00004 -0.00002 -0.00001 0.00000 0.00003 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 -0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00002 0.00000 -0.00002 0.00000 -0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00001 0.00000 0.00002 0.00004 -0.00008 -0.00001 0.00003 -0.00001 -0.00000 0.00002 0.00003 -0.00003 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 0.00002 0.00002 0.00001 0.00002 0.00001 -0.00003 -0.00006 -0.00007 0.00059 0.00061 0.00060 0.00003 0.00004 0.00003 -0.00000 0.00001 -0.00001 0.00003 0.00004 0.00002 -0.00014 -0.00014 -0.00012 -0.00012 -0.00012 -0.00010 -0.00011 -0.00011 -0.00009 -0.00011 -0.00012 -0.00013 -0.00015 -0.00016 -0.00016 -0.00016 -0.00017 -0.00018 0.00030 0.00033 0.00032 0.00027 0.00030 0.00029 0.00030 0.00033 0.00032 -0.00010 -0.00011 -0.00008 -0.00014 -0.00014 -0.00012 -0.00012 -0.00013 -0.00010 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 -0.00014 -0.00014 -0.00014 -0.00015 -0.00007 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 -0.00012 -0.00013 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00037 -0.00034 -0.00038 -0.00035 -0.00037 -0.00034 -0.00002 0.00007 -0.00005 0.00004 0.00025 0.00029 0.00016 0.00021 -0.00070 -0.00062 -0.00069 -0.00075 -0.00066 -0.00073 -0.00008 -0.00007 -0.00003 -0.00003 -0.00020 -0.00021 -0.00021 -0.00021 0.00002 0.00004 -0.00004 -0.00003 0.00003 -0.00001 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00000 0.00004 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00003 -0.00002 0.00001 0.00004 -0.00002 -0.00001 0.00000 0.00003 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 -0.00000 0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00002 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00002 0.00000 -0.00002 0.00000 -0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00001 0.00000 0.00002 0.00004 -0.00008 -0.00001 0.00003 -0.00001 -0.00000 0.00002 0.00003 -0.00003 0.00000 -0.00001 -0.00002 -0.00001 -0.00000 0.00002 0.00002 0.00001 0.00002 0.00001 -0.00003 -0.00006 -0.00007 0.00059 0.00061 0.00060 0.00003 0.00004 0.00003 -0.00000 0.00001 -0.00001 0.00003 0.00004 0.00002 -0.00014 -0.00014 -0.00012 -0.00012 -0.00012 -0.00010 -0.00011 -0.00011 -0.00009 -0.00011 -0.00012 -0.00013 -0.00015 -0.00016 -0.00016 -0.00016 -0.00017 -0.00018 0.00030 0.00033 0.00032 0.00027 0.00030 0.00029 0.00030 0.00033 0.00032 -0.00010 -0.00011 -0.00008 -0.00014 -0.00014 -0.00012 -0.00012 -0.00013 -0.00010 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 -0.00014 -0.00014 -0.00014 -0.00015 -0.00007 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 -0.00012 -0.00013 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00012 -0.00037 -0.00034 -0.00038 -0.00035 -0.00037 -0.00034 -0.00002 0.00007 -0.00005 0.00004 0.00025 0.00029 0.00016 0.00021 -0.00070 -0.00062 -0.00069 -0.00075 -0.00066 -0.00073 -0.00008 -0.00007 -0.00003 -0.00003 -0.00020 -0.00021 -0.00021 -0.00021 2.58085 2.72761 2.29365 2.90931 2.93756 2.89863 2.07501 2.89575 2.07261 2.07412 2.89611 2.06782 2.07526 2.90877 2.07684 2.07348 2.90032 2.90152 2.07675 2.83188 2.07123 2.06892 2.06768 2.06693 2.06765 2.07070 2.06759 2.06736 2.06475 2.06717 2.07131 2.53519 2.05296 2.76683 2.05669 2.84552 2.56244 2.06845 2.05041 2.06861 2.77557 2.04856 2.74831 2.06738 2.06740 2.26929 2.00839 2.00748 1.97987 1.93074 1.87584 1.93504 1.85164 1.88567 2.01157 1.88439 1.90778 1.90027 1.90890 1.84337 1.96604 1.91388 1.90831 1.91159 1.90766 1.85292 2.01048 1.90726 1.89589 1.89811 1.89550 1.84992 1.92704 1.96070 1.87825 1.92666 1.88352 1.88491 1.98978 1.89661 1.89462 1.89983 1.91780 1.86077 1.93615 1.93679 1.94265 1.88339 1.87949 1.88291 1.93110 1.94457 1.94283 1.88017 1.87899 1.88351 1.95833 1.93616 1.92882 1.87610 1.88258 1.87883 2.17642 2.02407 2.08258 2.19690 2.06460 2.02168 2.06368 2.04782 2.17168 1.91775 1.95592 1.91733 1.90162 1.86755 1.90144 2.21888 2.07573 1.98857 2.12512 1.90651 2.25155 1.89721 1.91028 1.91022 1.93708 1.93708 1.87176 3.17288 3.13533 3.15208 3.13927 -0.00048 3.14113 3.14036 1.02208 -1.02457 0.97583 3.10412 -1.18198 -3.12025 -0.99196 1.00512 -1.06534 1.06294 3.06003 0.96667 -1.15548 3.11048 -1.21813 2.94290 0.92567 3.02195 0.89980 -1.11743 -1.11764 0.97586 3.07309 1.09456 -3.09513 -0.99790 3.11668 -1.07302 1.02422 3.06246 -1.08709 0.93782 0.94274 3.07637 -1.18191 -1.06351 1.07013 3.09504 -3.09060 1.05025 -0.96051 1.05765 -1.08468 -3.09543 -0.96559 -3.10793 1.16451 3.01751 -1.10672 0.96583 -1.11846 1.04049 3.11304 0.88721 3.04616 -1.16448 1.09043 -1.00079 -3.10417 -1.08807 3.10390 1.00052 3.13886 1.04765 -1.05573 1.07112 -3.11333 -1.03077 -3.05290 -0.95417 1.12839 -0.99751 1.10123 -3.09939 1.94016 -1.18535 -2.22266 0.93501 -0.19095 2.96672 -3.12512 0.01481 -0.00010 3.13983 0.00324 -3.14153 -3.13673 0.00169 -1.02783 3.13856 1.02228 2.11717 0.00038 -2.11590 -3.13858 0.00340 -0.00038 -3.14158 -3.13939 0.00223 0.00183 -3.13974 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000025 0.000002 0.001972 0.000498 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.376298e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 628 A 608 A 608 944 628 76 76 1423.6697077740 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 -0.0446312429 0.000000 2.254641 0.000000 8.085645 7.801360 0.000000 8.662962 7.987644 1.539554 0.000000 9.445785 8.585271 2.594470 1.532368 0.000000 10.326671 9.196190 3.948427 2.550561 1.532553 0.000000 11.358669 10.123176 5.183527 3.948480 2.593498 1.539257 0.000000 7.169047 6.945857 1.554471 2.586606 3.105517 4.556848 5.561225 0.000000 7.659260 7.614944 1.533896 2.527172 3.928407 5.073423 6.457105 2.543256 0.000000 12.411978 11.013837 6.446208 5.066606 3.922619 2.524420 1.534793 6.960327 7.577743 0.000000 10.863720 9.535741 5.609540 4.560321 3.142985 2.554119 1.535418 5.562217 6.967877 2.520939 0.000000 5.981010 5.515923 2.560779 3.063028 3.599613 4.783601 5.813482 1.498573 3.149588 7.106884 5.594304 0.000000 4.687471 4.495381 3.569910 4.234087 4.922389 6.050984 7.103157 2.516832 3.680663 8.350822 6.809999 1.341562 0.000000 3.621040 3.054347 4.838118 5.219516 5.853176 6.748397 7.760362 3.894499 4.840681 8.875280 7.330311 2.499107 1.464144 0.000000 4.420903 3.013927 5.266187 5.210474 5.626797 6.219158 7.124478 4.469111 5.475663 8.082448 6.591795 2.972455 2.549032 1.505791 0.000000 2.311743 2.423729 5.871285 6.414837 7.146189 8.078423 9.112847 4.921224 5.638468 10.225635 8.672668 3.674943 2.409455 1.355984 2.532758 0.000000 1.365713 1.213771 7.243493 7.649881 8.348126 9.137385 10.133293 6.337073 6.965508 11.142474 9.613309 5.012411 3.821690 2.529908 3.094764 1.468744 0.000000 1.443370 2.629569 9.454294 9.943403 10.703581 11.490101 12.493556 8.559902 9.008975 13.471602 11.945951 7.314872 6.056247 4.873040 5.406174 3.648733 2.369807 0.000000 2.354703 4.062212 10.324789 10.960616 11.789626 12.667667 13.707036 9.428404 9.771487 14.737747 13.190305 8.305550 6.990803 5.975637 6.702880 4.655953 3.609097 1.454341 0.000000 3.419887 5.257841 11.162719 11.892741 12.764175 13.699621 14.760503 10.273155 10.539399 15.824124 14.264824 9.240443 7.906324 7.002967 7.828618 5.656779 4.737797 2.654849 1.200857 0.000000 8.996211 8.817159 1.098044 2.142718 2.824495 4.207923 5.285230 2.137358 2.145173 6.578473 5.821528 3.456667 4.463919 5.810713 6.287297 6.802586 8.211623 10.391544 11.202156 11.992262 0.000000 9.445587 8.800536 2.148220 1.096772 2.153753 2.736628 4.178611 3.511028 2.712587 5.080250 5.096746 4.074280 5.156039 6.117682 6.108150 7.257314 8.466583 10.710218 11.699928 12.608935 2.448700 0.000000 7.977938 7.143034 2.166179 1.097570 2.160694 2.798807 4.253971 2.888156 2.739852 5.230911 4.712273 2.801636 3.830027 4.567462 4.393700 5.778114 6.903391 9.191713 10.272258 11.249292 3.052090 1.748069 0.000000 8.865434 7.958430 2.864677 2.161837 1.094241 2.160333 2.848461 2.786327 4.266979 4.281373 2.817086 3.057919 4.383106 5.251327 4.980629 6.565312 7.743916 10.108336 11.216995 12.208936 3.224625 3.059330 2.497408 0.000000 10.175655 9.462497 2.796728 2.160706 1.098175 2.160390 2.806688 3.357022 4.211302 4.181327 3.466229 4.212185 5.536799 6.617034 6.536443 7.866756 9.141634 11.481457 12.505501 13.435426 2.583583 2.530288 3.065516 1.752850 0.000000 9.787821 8.495344 4.256431 2.791853 2.160715 1.099010 2.159830 4.761057 5.209758 2.781661 2.781504 4.647169 5.804414 6.284216 5.572583 7.611082 8.548502 10.873309 12.106398 13.175706 4.757655 3.065927 2.590687 2.500490 3.065916 0.000000 10.953384 9.887167 4.171030 2.740689 2.151004 1.097232 2.156574 5.092551 5.109181 2.672034 3.486241 5.449873 6.688049 7.432587 6.971509 8.725312 9.799295 12.125180 13.272235 14.281747 4.317240 2.468878 3.086036 3.056767 2.519564 1.753927 0.000000 11.943433 10.854148 5.245268 4.192470 2.782040 2.144962 1.098966 5.668286 6.588870 2.145027 2.146618 6.178933 7.509414 8.323182 7.840534 9.658631 10.769550 13.138970 14.298052 15.313845 5.116981 4.343596 4.742245 3.134282 2.545548 3.051329 2.500778 0.000000 7.865465 7.524520 2.169888 2.868503 2.814568 4.290622 5.031240 1.096047 3.472990 6.514341 4.896685 2.123322 3.244319 4.523843 4.918156 5.609445 6.986630 9.234355 10.135787 10.996417 2.389931 3.826716 3.337519 2.295702 2.876906 4.639520 4.945365 5.033222 0.000000 6.999442 7.121335 2.167505 3.511360 4.114290 5.599462 6.578427 1.094823 2.709586 7.999477 6.567946 2.135460 2.643388 4.105711 4.987504 4.887870 6.351945 8.429878 9.153026 9.902178 2.470351 4.302644 3.844918 3.825822 4.204283 5.843462 6.074016 6.596634 1.756759 0.000000 6.814751 6.685051 2.179277 2.813766 4.254467 5.261097 6.697097 2.817260 1.094166 7.749023 7.100235 2.861437 3.149790 4.082213 4.683761 4.843453 6.085265 8.116660 8.930566 9.741709 3.065510 3.115416 2.577840 4.467447 4.773353 5.166604 5.374584 6.996178 3.844032 3.073332 0.000000 8.536871 8.449962 2.179439 2.749352 4.196239 5.141384 6.571786 3.501785 1.093767 7.551374 7.301043 4.143289 4.719933 5.793593 6.316708 6.582636 7.848895 9.847016 10.599038 11.350916 2.499295 2.476999 3.039622 4.770630 4.409659 5.325897 4.941546 6.665036 4.313682 3.716956 1.769080 0.000000 7.541301 7.810841 2.183944 3.487876 4.761610 6.024710 7.336932 2.778428 1.094149 8.531081 7.775299 3.518144 3.800469 5.045472 5.933185 5.647618 7.017134 8.925697 9.547433 10.219849 2.486543 3.706493 3.766212 4.998555 4.899087 6.219545 6.090178 7.381982 3.722429 2.490401 1.766856 1.768758 0.000000 12.044193 10.508057 6.701922 5.249158 4.263883 2.794090 2.177630 7.167147 7.730448 1.095763 2.790099 7.091116 8.250991 8.604266 7.669357 9.937838 10.740383 13.024672 14.334867 15.450374 7.000664 5.309883 5.182351 4.527803 4.761899 2.602160 3.021842 3.064850 6.819730 8.244364 7.748271 7.730735 8.733034 0.000000 12.918378 11.593563 6.537848 5.134825 4.174543 2.763850 2.186080 7.274446 7.557753 1.094118 3.483638 7.538526 8.791348 9.386274 8.670747 10.721729 11.677437 14.003389 15.240696 16.306816 6.591171 4.913067 5.375473 4.769734 4.332075 3.134997 2.452837 2.496090 6.912430 8.283433 7.792693 7.374847 8.525475 1.768572 0.000000 13.217739 11.780059 7.329191 6.020850 4.757225 3.486487 2.184740 7.741669 8.537789 1.093995 2.759437 7.913598 9.165715 9.681767 8.857508 11.036421 11.937056 14.262988 15.542493 16.636781 7.391228 6.077321 6.231831 4.999919 4.883144 3.787955 3.688271 2.497508 7.183961 8.760167 8.743321 8.542802 9.454333 1.767712 1.769295 0.000000 10.284550 9.108381 5.076741 4.282779 2.856259 2.844048 2.195282 4.810530 6.511241 3.486777 1.092617 4.919506 6.133923 6.755374 6.174472 8.072846 9.086194 11.417696 12.609287 13.650323 5.253922 4.981357 4.523761 2.247691 3.080047 3.177206 3.855233 2.490571 4.031370 5.753668 6.690952 6.968186 7.213478 3.815325 4.344437 3.753536 0.000000 11.766597 10.395625 6.614808 5.605953 4.143892 3.505095 2.180433 6.521791 8.009004 2.733057 1.093897 6.588928 7.786138 8.280613 7.507557 9.607878 10.512600 12.819773 14.074012 15.153069 6.741485 6.096864 5.800909 3.824837 4.301691 3.774583 4.315126 2.510771 5.768650 7.486642 8.176596 8.330560 8.788542 3.089577 3.743986 2.517342 1.763231 0.000000 10.341665 8.851544 5.833489 4.709516 3.500284 2.801887 2.176783 5.724402 7.073676 2.807587 1.096085 5.470151 6.582555 6.895450 5.976531 8.228531 9.044706 11.342722 12.640631 13.750591 6.233329 5.296732 4.602639 3.082723 4.097707 2.579900 3.770680 3.064918 5.194759 6.769223 7.036463 7.442790 7.930098 2.631244 3.815317 3.154066 1.769174 1.767790 0.000000 6.362484 5.501990 2.953253 2.886335 3.162586 4.100750 5.074169 2.202679 3.712716 6.288152 4.770121 1.086375 2.099414 2.742032 2.615891 4.072693 5.232578 7.596959 8.716692 9.728762 3.875839 3.931961 2.422751 2.519400 3.971519 3.810275 4.870765 5.586385 2.499798 3.082379 3.355924 4.561294 4.307979 6.177262 6.794670 7.088999 4.205121 5.779994 4.515585 0.000000 4.607815 4.932293 3.773504 4.757620 5.551744 6.805262 7.881150 2.724344 3.655264 9.181533 7.652663 2.090074 1.088347 2.171863 3.513625 2.570844 4.036330 6.041240 6.776407 7.570566 4.524609 5.599481 4.510398 5.087153 6.018666 6.666190 7.369618 8.181282 3.529812 2.396091 3.250404 4.721428 3.455417 9.156321 9.566594 9.998082 6.913339 8.617337 7.519701 3.056220 0.000000 5.145003 3.732435 5.294444 5.171503 5.290677 5.869472 6.579207 4.347483 5.796428 7.587536 5.860614 2.927382 2.821107 2.141581 1.094570 3.240737 3.848484 6.117530 7.406749 8.524686 6.232872 6.155355 4.472650 4.489774 6.158977 5.280794 6.742190 7.277926 4.552752 4.946363 5.160583 6.668541 6.272163 7.216124 8.276937 8.270666 5.386400 6.706446 5.256774 2.386480 3.830515 0.000000 4.043065 2.213458 6.319328 6.219883 6.631807 7.107088 7.967505 5.541779 6.432415 8.821775 7.373824 4.043384 3.472920 2.161527 1.085024 2.682396 2.679008 4.789435 6.175029 7.347475 7.353930 7.073477 5.341828 5.987334 7.571476 6.370757 7.851611 8.745329 5.990727 6.011648 5.567137 7.238932 6.869887 8.310842 9.434866 9.573794 7.022339 8.241074 6.657883 3.688271 4.324772 1.773999 0.000000 5.144439 3.729880 4.823552 4.542622 5.062045 5.512066 6.536741 4.336990 4.979626 7.396445 6.191363 2.925889 2.819066 2.141321 1.094662 3.239672 3.846996 6.116903 7.406075 8.523962 5.888419 5.341601 3.604834 4.579886 6.048870 4.786574 6.173109 7.304237 4.852322 5.000022 4.142306 5.693343 5.599616 6.942317 7.903794 8.243160 5.907059 7.166162 5.552426 2.386874 3.826819 1.759865 1.773893 0.000000 2.377358 3.298891 5.885649 6.665677 7.482834 8.554103 9.625773 4.920072 5.523811 10.813841 9.250662 3.918276 2.576779 2.106197 3.501705 1.084054 2.150426 3.820447 4.520773 5.359783 6.723800 7.472800 6.157389 6.948210 8.094146 8.195267 9.152338 10.075666 5.665737 4.649001 4.827054 6.487338 5.324787 10.610702 11.261976 11.634858 8.578726 10.194616 8.909114 4.556456 2.259721 4.128124 3.759098 4.127247 0.000000 2.081322 2.583014 9.600862 9.967160 10.782055 11.458810 12.508429 8.844227 9.082585 13.390539 12.027079 7.549059 6.347598 5.090786 5.438563 3.984326 2.636741 1.094010 2.109890 3.206966 10.588313 10.669095 9.136283 10.251764 11.622376 10.769511 12.042442 13.212702 9.567633 8.805199 8.117465 9.841553 9.089993 12.877502 13.886006 14.212954 11.586803 12.922406 11.363930 7.740865 6.433808 6.255374 4.724374 6.001846 4.302333 0.000000 2.081277 2.586106 9.846403 10.269722 10.891820 11.635629 12.531241 8.849643 9.555529 13.497716 11.860579 7.549873 6.348603 5.090911 5.438705 3.984914 2.638214 1.094024 2.109885 3.207022 10.784178 11.099695 9.512906 10.212222 11.680565 10.998804 12.344633 13.198705 9.419405 8.774995 8.682094 10.436879 9.519615 13.027879 14.102524 14.229543 11.330476 12.673559 11.222836 7.741052 6.436012 6.002697 4.724493 6.255017 4.302803 1.761614 0.000000 4.418932 6.317171 11.951634 12.751418 13.653134 14.631273 15.707464 11.071378 11.277660 16.795917 15.228786 10.111009 8.770361 7.949898 8.839433 6.595451 5.759401 3.717597 2.263641 1.062796 12.740436 13.447795 12.144113 13.112487 14.288169 14.136948 15.195137 16.230544 11.803425 10.629639 10.517753 12.072542 10.886016 16.445360 17.262273 17.614210 14.589133 16.119766 14.742471 10.653973 8.350344 9.528898 8.390603 9.528146 6.198458 4.226199 4.226270 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2499,-.1803,.0448;4.0037,-1.9633,-.548;-2.3881,2.4728,.0248;-3.2287,1.4225,-.7238;-4.1641,.5861,.1557;-5.0511,-.3608,-.6601;-6.0642,-1.1791,.1605;-1.5261,1.8725,1.1706;-1.5163,3.2665,-.9565;-7.0079,-1.9518,-.7712;-5.3792,-2.1389,1.1438;-.6156,.7656,.7329;.7224,.8506,.6864;1.6345,-.2064,.2452;1.0429,-1.5157,-.2054;2.9623,.0674,.2683;4.0588,-.8261,-.1274;6.4184,-.9504,-.3085;7.6011,-.1365,-.0759;8.5997,.5058,.1037;-3.0853,3.1732,.5034;-3.8262,1.9446,-1.4811;-2.561,.7547,-1.2831;-3.5747,.0075,.8735;-4.7992,1.2558,.7508;-4.4153,-1.0536,-1.2289;-5.5993,.2282,-1.4061;-6.6696,-.4709,.7433;-2.1954,1.4928,1.9511;-.9407,2.6783,1.6251;-.7841,2.6154,-1.4436;-2.1272,3.7288,-1.7371;-.9657,4.062,-.4455;-6.4476,-2.672,-1.3779;-7.5341,-1.2786,-1.4546;-7.7587,-2.5093,-.2035;-4.7683,-1.61,1.8792;-6.1185,-2.7286,1.6936;-4.7284,-2.8388,.6071;-1.1013,-.1554,.4229;1.1913,1.7816,.9992;.4538,-1.9565,.605;1.8059,-2.2237,-.5119;.3587,-1.3459,-1.0428;3.291,1.0422,.6104;6.3515,-1.2534,-1.3576;6.4476,-1.8644,.2919;9.4797,1.0796,.2649; 0.6662297 0.0843377 0.0776325 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= 608 RedAO= T EigKep= 1.34D-06 NBF= 608 NBsUse= 606 1.00D-06 EigRej= 3.84D-07 NBFU= 606 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= 606 606 606 606 606 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -853.438689582420 -853.438689582364 0.000000000055 -853.438689582473 -0.000000000108 -853.438689582 3 8.495033976752e+02 -4.830467117942e+03 1.703899954153e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414776442 LenY= 1414381430 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. 15026 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 710000000 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 68.41% of shell-pairs survive, threshold= 0.20 IRatSp=68. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.03D-14 1.00D-09 XBig12= 3.60D+02 1.43D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.03D-14 1.00D-09 XBig12= 7.62D+01 1.57D+00. 144 vectors produced by pass 2 Test12= 4.03D-14 1.00D-09 XBig12= 1.20D+00 1.35D-01. 144 vectors produced by pass 3 Test12= 4.03D-14 1.00D-09 XBig12= 4.64D-03 1.07D-02. 144 vectors produced by pass 4 Test12= 4.03D-14 1.00D-09 XBig12= 9.44D-06 2.55D-04. 103 vectors produced by pass 5 Test12= 4.03D-14 1.00D-09 XBig12= 1.48D-08 1.25D-05. 22 vectors produced by pass 6 Test12= 4.03D-14 1.00D-09 XBig12= 2.14D-11 4.83D-07. 3 vectors produced by pass 7 Test12= 4.03D-14 1.00D-09 XBig12= 2.40D-14 2.92D-08. 1 vectors produced by pass 8 Test12= 4.03D-14 1.00D-09 XBig12= 3.69D-17 1.19D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 849 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 242.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 353.212 2.035 208.194 -1.776 6.230 167.413 435.730 4.172 298.445 -7.345 18.276 254.312 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT43406.800S Wed Sep 4 20:49:57 2024 -19.17161 -19.11228 -10.30508 -10.25723 -10.21243 -10.18931 -10.18415 -10.18382 -10.18343 -10.18342 -10.17980 -10.17658 -10.17597 -10.16940 -10.16917 -10.16759 -10.16675 -10.16085 -10.15982 -10.15904 -1.11094 -1.02322 -0.84874 -0.83066 -0.81382 -0.80063 -0.77535 -0.75055 -0.73509 -0.70484 -0.69380 -0.68730 -0.67945 -0.63411 -0.60977 -0.58372 -0.56430 -0.55545 -0.54867 -0.54046 -0.50805 -0.50016 -0.49968 -0.48789 -0.47317 -0.46783 -0.46231 -0.45030 -0.44272 -0.44160 -0.43259 -0.42880 -0.41605 -0.41374 -0.40355 -0.39767 -0.38830 -0.38378 -0.38122 -0.37681 -0.36999 -0.36724 -0.36152 -0.35377 -0.34507 -0.34305 -0.32705 -0.32608 -0.32416 -0.31940 -0.31264 -0.30956 -0.30139 -0.28442 -0.27822 -0.24439 -0.07300 -0.00554 0.00172 0.00211 0.00685 0.01034 0.01366 0.01725 0.01974 0.02313 0.02678 0.03109 0.03314 0.03841 0.03953 0.04184 0.04603 0.04894 0.05293 0.05596 0.05973 0.06160 0.06261 0.06812 0.06960 0.07274 0.07711 0.07941 0.08071 0.08753 0.08997 0.09256 0.09482 0.09872 0.10206 0.10257 0.10500 0.10939 0.11037 0.11524 0.11609 0.12091 0.12544 0.13128 0.13745 0.13845 0.14025 0.14716 0.14938 0.15027 0.15211 0.15553 0.15909 0.16210 0.16519 0.16759 0.17040 0.17435 0.17631 0.17985 0.18185 0.18290 0.18609 0.18821 0.18975 0.19131 0.19738 0.19868 0.20156 0.20507 0.20533 0.20784 0.21085 0.21331 0.21535 0.21623 0.21959 0.22276 0.22673 0.23063 0.23237 0.23356 0.23607 0.23861 0.24031 0.24184 0.24473 0.24963 0.25294 0.25532 0.25913 0.26043 0.26382 0.26673 0.27149 0.27379 0.27623 0.27975 0.28218 0.28336 0.28953 0.29547 0.29768 0.30285 0.30810 0.31016 0.31132 0.31343 0.31919 0.32700 0.32790 0.33307 0.33425 0.33784 0.34883 0.34997 0.36031 0.36739 0.37559 0.38432 0.38993 0.39596 0.40061 0.40356 0.41330 0.41803 0.42499 0.42925 0.43538 0.43736 0.44588 0.44856 0.45170 0.47048 0.47205 0.48158 0.49005 0.49358 0.49455 0.50277 0.50932 0.51503 0.52056 0.52242 0.52929 0.53846 0.54425 0.55292 0.56019 0.56212 0.56769 0.57727 0.57977 0.58544 0.59674 0.59763 0.60538 0.61115 0.61399 0.62136 0.62683 0.62731 0.63166 0.63609 0.64109 0.64601 0.65198 0.65339 0.66051 0.66568 0.66667 0.66773 0.67300 0.67610 0.68147 0.68856 0.69007 0.69506 0.69705 0.69975 0.70454 0.70648 0.70973 0.71295 0.71454 0.71918 0.72222 0.72460 0.73074 0.73733 0.74713 0.75247 0.75750 0.76067 0.76701 0.77477 0.77735 0.78589 0.79007 0.80063 0.80525 0.80786 0.82079 0.82378 0.83591 0.83909 0.85223 0.86736 0.87258 0.88281 0.90719 0.92006 0.92369 0.93119 0.94362 0.95098 0.96298 0.96795 0.97606 0.98706 0.99447 1.00413 1.01140 1.01575 1.02576 1.03026 1.03157 1.05248 1.05822 1.08524 1.09430 1.09777 1.10196 1.10963 1.11737 1.13284 1.13318 1.15687 1.15992 1.17085 1.17428 1.17876 1.18412 1.19343 1.19955 1.20990 1.21902 1.22961 1.24804 1.26990 1.28060 1.29070 1.30099 1.30727 1.33624 1.33788 1.34771 1.39908 1.40163 1.41041 1.43158 1.43338 1.44911 1.45239 1.45760 1.46133 1.46626 1.47021 1.47323 1.48131 1.49078 1.49286 1.50057 1.51374 1.51833 1.53236 1.53759 1.54437 1.54773 1.55511 1.55905 1.56918 1.57103 1.57272 1.57525 1.58734 1.59009 1.59210 1.60278 1.60397 1.61056 1.61549 1.61859 1.62285 1.63462 1.64453 1.64841 1.64973 1.65774 1.66550 1.67257 1.67869 1.68083 1.69436 1.70597 1.70948 1.71511 1.71852 1.73344 1.73539 1.74790 1.75391 1.76244 1.77085 1.77653 1.77949 1.78962 1.79203 1.79949 1.80214 1.81788 1.82070 1.82967 1.83233 1.83877 1.84739 1.85206 1.86979 1.87743 1.89746 1.90948 1.92547 1.92893 1.95691 1.96574 1.97363 1.97798 1.98162 1.99152 1.99429 2.01049 2.02683 2.03201 2.05424 2.06549 2.07990 2.08559 2.09002 2.10518 2.10682 2.11993 2.13520 2.13675 2.13915 2.16256 2.16718 2.17360 2.19176 2.21570 2.22369 2.22701 2.24483 2.26581 2.28189 2.28554 2.30498 2.31927 2.32096 2.33423 2.35227 2.35646 2.37111 2.38645 2.39598 2.41203 2.42050 2.43713 2.44608 2.44925 2.45302 2.46506 2.48138 2.49173 2.49335 2.50102 2.50436 2.51333 2.51371 2.51837 2.52304 2.53550 2.54054 2.55018 2.55281 2.56080 2.56340 2.56804 2.58299 2.59193 2.59706 2.60416 2.61436 2.61905 2.62166 2.63213 2.63466 2.64373 2.65881 2.66411 2.66746 2.67363 2.68945 2.69086 2.69896 2.71102 2.72107 2.73518 2.74137 2.75357 2.75642 2.76003 2.77103 2.78274 2.79214 2.79378 2.80046 2.81191 2.81855 2.82631 2.83555 2.84922 2.86787 2.89840 2.90921 2.91188 2.92796 2.93134 2.93845 2.94754 2.95661 2.96892 2.98596 2.98982 2.99765 3.00213 3.01351 3.01822 3.03085 3.03963 3.05481 3.06901 3.07295 3.08611 3.11036 3.13768 3.14647 3.16174 3.18312 3.19921 3.21051 3.23231 3.25751 3.32258 3.34937 3.36406 3.37329 3.38799 3.40086 3.48427 3.51866 3.53606 3.57707 3.63391 3.66826 3.67517 3.77022 3.78273 3.79158 3.79247 3.79714 3.80054 3.80744 3.82054 3.83671 3.84588 3.86098 3.86888 3.87666 3.94452 3.99192 3.99889 4.04616 4.07067 4.09917 4.10321 4.19531 4.21682 4.23663 4.29217 4.29901 4.32667 4.40082 4.42045 4.52067 4.98443 5.06193 5.25964 5.37540 5.66191 5.86178 23.55588 23.67089 23.80304 23.83176 23.84020 23.86522 23.88517 23.89169 23.90947 23.91887 23.94352 23.96720 23.97469 23.97834 23.97938 24.16994 24.24169 25.14111 49.90513 50.02744 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 O O 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 H H H H H H H H H -0.060007 -0.287324 0.491556 -0.530102 -0.095539 -0.472231 0.307765 -0.598194 -0.746572 -0.608410 -0.571590 0.148107 -0.082262 0.845522 -0.911276 -0.416330 -0.188006 -0.261068 1.066223 -1.096253 0.130297 0.136535 0.152784 0.118661 0.137701 0.141593 0.138348 0.126746 0.165787 0.139044 0.160546 0.135659 0.140072 0.137127 0.134057 0.135255 0.135384 0.135085 0.138837 0.146788 0.111442 0.157286 0.189327 0.152827 0.132846 0.187248 0.187504 0.161205 -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 O O C C C C C C C C C C C C C C C C C C -0.060007 -0.287324 0.621853 -0.240783 0.160823 -0.192291 0.434511 -0.293363 -0.310295 -0.201971 -0.162284 0.294895 0.029180 0.845522 -0.411835 -0.283484 -0.188006 0.113683 1.066223 -0.935048 0.00000 -8.72051609e-01 6.07195389e-01 2.14076311e-01 3.53211815e+02 2.03505924e+00 2.08194180e+02 -1.77649047e+00 6.23018550e+00 1.67412750e+02 -5.3459 -1.1360 -0.0007 -0.0003 0.0007 2.6705 10.6171 15.2441 25.2974 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 10.5812 15.2073 25.2909 35.2854 50.2599 54.6271 65.1945 78.4702 86.9151 96.2146 128.0394 136.1161 147.0008 163.3309 173.2178 210.7081 231.1511 240.7848 247.3529 255.8998 267.4592 273.0760 280.9026 319.3042 321.1587 329.4169 352.9065 385.1127 393.6662 428.2599 441.5838 463.5540 512.4237 513.9291 523.0815 579.9799 631.3045 666.3498 718.2109 743.5915 758.1331 775.1570 785.2666 830.0345 839.9658 859.2485 871.0356 904.2028 918.7289 937.8590 946.8998 957.2046 969.2153 969.8246 980.5801 992.8311 1003.5498 1004.3570 1013.2548 1031.3118 1037.9805 1057.4677 1064.1244 1066.2115 1073.2694 1116.0952 1127.3620 1157.9907 1161.2460 1179.1775 1194.9771 1221.7814 1248.7750 1258.8767 1265.9894 1277.2937 1294.5677 1318.2477 1339.1746 1339.6836 1355.3728 1357.1462 1363.8109 1374.2724 1381.4937 1387.7034 1398.6077 1401.8014 1404.9059 1410.5043 1419.9031 1425.2883 1426.1991 1482.7169 1486.1028 1487.9727 1491.2451 1492.6616 1494.8326 1498.2723 1503.8965 1504.6561 1505.5938 1506.7345 1510.0605 1516.1645 1651.4094 1687.9033 1748.9245 2230.4478 2981.1679 2988.7229 2990.9376 2996.1978 3005.2433 3009.0326 3014.1397 3015.3710 3018.2752 3022.1860 3026.0459 3030.0993 3038.6372 3052.5642 3060.8157 3069.2218 3070.9116 3071.1684 3075.6800 3080.7284 3080.9728 3084.5533 3090.8056 3123.2929 3151.0703 3171.9026 3174.0861 3474.8939 4.9300 4.3405 2.6160 3.4005 4.7568 6.1173 3.3098 3.4150 3.3323 3.1807 2.2777 2.5131 2.0643 1.2677 2.5129 3.4021 1.3396 1.1659 1.7942 1.7578 2.1851 1.8344 4.1353 5.0252 3.1071 4.8197 2.9643 3.0005 2.2511 2.5407 2.2036 2.2582 2.4344 2.7997 5.0991 2.8141 3.0476 1.2391 1.2724 3.0206 1.1956 6.1789 2.7111 2.4445 2.9782 1.5676 1.7963 1.8052 1.7656 1.3059 1.7849 1.7218 1.6279 2.6401 6.8322 1.9089 1.2676 1.6695 1.6202 2.3577 3.1852 1.9313 1.5257 2.4580 1.6511 2.1526 1.7021 2.4766 2.3827 2.1956 1.7835 1.5396 1.2406 1.0644 2.4992 1.2535 1.3691 1.3500 1.2341 1.1497 1.3754 1.3079 1.3657 1.3081 1.3436 1.3134 1.4277 1.3040 1.3309 1.4174 1.2776 1.2469 1.4999 1.0688 1.0937 1.0840 1.0701 1.0723 1.0704 1.0575 1.0535 1.0452 1.0615 1.0588 1.0866 1.0493 5.7436 5.2608 10.7436 5.9010 1.0762 1.0674 1.0790 1.0664 1.0628 1.0369 1.0427 1.0561 1.0433 1.0927 1.0425 1.0947 1.0563 1.1015 1.0996 1.1000 1.1000 1.1046 1.0996 1.1016 1.1015 1.1016 1.0994 1.0895 1.0867 1.0959 1.0889 1.1641 0.0003 0.0006 0.0010 0.0025 0.0071 0.0108 0.0083 0.0124 0.0148 0.0173 0.0220 0.0274 0.0263 0.0199 0.0444 0.0890 0.0422 0.0398 0.0647 0.0678 0.0921 0.0806 0.1923 0.3019 0.1888 0.3081 0.2175 0.2622 0.2055 0.2746 0.2532 0.2859 0.3766 0.4357 0.8220 0.5577 0.7156 0.3241 0.3867 0.9840 0.4049 2.1875 0.9850 0.9923 1.2380 0.6819 0.8030 0.8696 0.8780 0.6768 0.9429 0.9295 0.9010 1.4630 3.8706 1.1086 0.7521 0.9923 0.9801 1.4774 2.0219 1.2724 1.0179 1.6463 1.1206 1.5798 1.2746 1.9567 1.8931 1.7987 1.5005 1.3541 1.1399 0.9938 2.3600 1.2050 1.3519 1.3822 1.3040 1.2158 1.4886 1.4193 1.4966 1.4556 1.5108 1.4902 1.6455 1.5098 1.5477 1.6615 1.5176 1.4924 1.7976 1.3845 1.4232 1.4141 1.4021 1.4077 1.4092 1.3987 1.4039 1.3942 1.4178 1.4162 1.4598 1.4211 9.2288 8.8307 19.3617 17.2967 5.6353 5.6176 5.6868 5.6403 5.6551 5.5314 5.5815 5.6574 5.6000 5.8800 5.6244 5.9220 5.7465 6.0472 6.0698 6.1051 6.1119 6.1382 6.1289 6.1601 6.1604 6.1751 6.1881 6.2620 6.3575 6.4963 6.4634 8.2816 0.0968 0.0108 0.0270 0.0261 0.0840 0.2189 1.9146 0.2751 0.1783 0.2530 0.2763 0.3883 0.6285 1.5056 0.1695 0.1678 0.0449 0.1276 0.0486 0.4583 1.4158 1.0154 3.1802 15.3085 7.3514 5.4985 1.1753 1.6581 0.4499 0.8667 0.0396 0.3205 2.2325 4.2671 5.3727 3.3274 1.7281 55.4760 43.0229 2.4271 1.2782 3.7672 1.1895 2.6891 3.2294 2.6375 8.3730 13.2442 8.1232 1.3509 0.7090 0.8745 0.3748 1.5447 17.4404 0.8990 27.4879 2.7113 22.4528 45.4346 7.9261 99.9907 0.9716 1.6146 23.5668 22.2781 29.6792 455.5812 444.7739 8.7053 4.9354 1.9011 2.0440 1.6431 180.3603 1.3108 2.5430 0.7354 1.0874 0.6601 0.2250 1.2893 2.3873 5.7821 76.8216 27.7727 2.7537 2.5027 6.2399 6.7971 5.3745 5.2249 26.5891 1.8848 58.4252 27.5068 2.6289 2.6139 0.2797 2.5205 4.9515 5.2218 4.7834 17.9203 6.0371 20.5658 343.9377 74.3581 255.2536 0.0682 3.4506 13.9559 11.7570 3.0251 46.8586 41.5447 29.1448 47.4982 14.6715 26.7511 24.1026 30.8653 10.4494 26.4557 68.4380 13.6075 4.0381 12.4687 77.6615 43.0635 46.3886 55.1387 48.6073 9.6899 14.4967 1.8348 4.9522 78.9458 0.03 -0.01 0.03 0.03 0.05 -0.16 -0.03 -0.00 -0.02 -0.06 0.00 0.00 -0.02 -0.01 0.04 -0.06 -0.00 0.07 -0.01 -0.02 0.11 0.01 -0.01 -0.06 -0.08 0.01 -0.05 -0.06 -0.00 0.14 0.04 -0.03 0.06 0.01 0.01 -0.11 0.02 0.01 -0.09 0.02 0.03 -0.12 0.02 0.06 -0.20 0.02 0.02 -0.07 0.02 0.02 -0.08 0.03 -0.01 0.04 0.04 -0.06 0.19 0.04 -0.10 0.32 -0.02 -0.01 0.01 -0.10 0.01 0.04 -0.08 0.01 -0.03 0.02 -0.02 -0.00 0.01 -0.02 0.08 -0.08 0.01 0.03 -0.09 0.01 0.10 0.02 -0.02 0.15 0.04 -0.03 -0.04 0.02 -0.00 -0.07 -0.09 0.02 -0.09 -0.11 0.02 -0.02 -0.06 0.01 -0.07 -0.09 0.01 0.10 -0.09 0.01 0.18 -0.03 -0.01 0.17 0.08 -0.04 0.03 0.07 -0.04 0.09 0.01 -0.02 0.01 0.02 0.03 -0.14 0.01 -0.00 -0.05 0.00 0.02 -0.24 0.02 0.07 -0.23 0.04 0.10 -0.20 0.02 -0.01 -0.01 0.09 0.09 0.01 -0.03 -0.06 -0.04 0.04 -0.13 0.43 -0.05 -0.04 -0.01 -0.10 -0.00 -0.01 -0.03 0.09 0.01 -0.00 0.07 0.01 0.03 0.03 0.00 0.10 -0.03 -0.01 0.15 -0.10 -0.01 -0.02 0.10 0.01 -0.05 0.11 0.02 0.21 -0.17 -0.02 0.20 -0.05 -0.00 -0.03 0.09 0.01 -0.03 0.08 -0.00 -0.05 0.05 -0.00 -0.08 0.06 0.02 -0.05 0.03 -0.01 -0.07 -0.00 -0.01 -0.07 -0.07 -0.01 -0.05 -0.11 0.00 -0.03 -0.14 0.01 -0.05 0.07 0.01 -0.02 0.06 0.01 0.02 0.10 -0.00 0.05 0.07 0.02 -0.02 -0.00 -0.02 0.15 0.01 0.00 0.07 -0.07 -0.01 0.09 -0.14 -0.02 -0.01 0.12 0.02 -0.01 0.11 -0.01 -0.02 0.13 0.02 -0.05 0.09 0.01 -0.07 0.13 0.02 0.27 -0.13 -0.01 0.17 -0.21 -0.03 0.24 -0.22 -0.03 0.15 -0.00 0.01 0.23 -0.10 -0.01 0.26 -0.00 0.01 -0.04 0.09 0.03 -0.01 0.07 -0.02 -0.08 0.08 0.03 -0.10 0.04 0.01 -0.09 0.07 0.02 -0.02 0.02 -0.02 -0.08 -0.06 -0.01 -0.11 -0.07 -0.01 -0.01 -0.17 0.02 -0.00 0.01 -0.03 -0.00 0.03 -0.08 0.01 -0.02 0.02 0.02 -0.02 0.01 -0.01 -0.00 -0.01 0.06 -0.06 -0.01 -0.04 0.03 -0.05 -0.00 -0.02 0.03 0.02 -0.02 0.03 0.10 -0.10 -0.08 -0.16 0.16 0.16 0.00 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.00 0.02 -0.05 -0.00 0.02 -0.05 0.00 -0.00 0.02 0.00 -0.03 0.08 0.00 -0.02 0.01 0.05 -0.03 -0.02 0.03 -0.03 0.04 -0.04 0.04 0.05 -0.06 0.02 -0.07 0.10 -0.11 0.11 0.14 -0.11 -0.12 -0.13 0.09 -0.21 -0.01 -0.01 0.03 -0.00 -0.02 0.03 0.03 -0.02 0.04 0.03 -0.02 0.02 0.02 -0.02 0.04 0.18 -0.17 0.09 0.18 -0.19 -0.24 0.02 -0.03 -0.11 -0.28 0.26 0.19 -0.22 0.20 0.12 -0.06 0.11 0.34 0.00 -0.02 0.05 -0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 -0.00 0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.03 0.02 0.09 -0.07 -0.02 -0.01 -0.11 0.01 -0.05 0.14 -0.02 0.05 -0.11 -0.03 0.04 -0.07 0.03 -0.02 -0.04 0.05 -0.05 -0.02 0.03 -0.01 -0.01 0.00 0.00 -0.00 0.02 -0.00 0.01 -0.01 0.03 0.02 0.07 -0.07 -0.05 -0.05 0.07 0.02 0.04 -0.07 -0.07 -0.01 -0.00 0.09 -0.01 0.02 0.04 -0.01 0.00 0.07 -0.01 -0.06 0.23 -0.02 0.04 -0.05 -0.03 0.04 -0.07 -0.03 0.05 -0.14 -0.02 -0.01 0.03 -0.00 -0.07 0.17 0.02 0.01 -0.09 0.08 -0.08 -0.06 0.07 -0.07 0.03 0.01 -0.01 0.00 0.04 0.02 -0.03 -0.01 0.01 -0.03 -0.01 0.02 0.02 0.07 -0.01 0.07 -0.04 0.07 0.02 -0.01 0.04 -0.00 0.09 -0.10 0.01 0.10 -0.10 -0.09 0.06 -0.05 -0.06 -0.11 0.09 -0.05 -0.08 0.12 0.09 -0.03 0.06 0.04 0.11 -0.12 -0.09 0.05 -0.06 -0.05 -0.02 -0.07 -0.14 -0.01 -0.03 0.18 -0.01 0.05 -0.05 0.02 0.02 0.30 -0.01 -0.07 0.27 -0.04 -0.16 0.24 -0.02 0.07 -0.14 0.02 0.18 -0.18 -0.09 -0.02 -0.24 0.01 -0.12 0.29 -0.06 -0.04 0.02 0.00 -0.06 -0.09 0.07 0.03 -0.03 0.02 0.08 -0.04 0.00 0.10 -0.03 0.01 0.08 -0.00 0.07 0.04 0.04 0.01 -0.03 -0.01 0.13 -0.02 -0.01 0.09 -0.02 0.08 0.15 0.09 0.03 -0.04 -0.08 -0.01 -0.04 -0.13 0.01 -0.05 -0.13 -0.01 -0.05 -0.12 -0.04 -0.06 -0.12 0.01 -0.04 -0.08 -0.03 -0.02 0.05 -0.01 -0.08 0.14 0.04 -0.16 0.24 0.09 0.11 0.07 -0.03 0.03 0.11 -0.02 -0.02 0.06 -0.05 0.00 0.12 -0.02 0.01 0.12 -0.04 0.01 0.10 -0.02 -0.04 0.06 0.02 0.05 0.02 0.05 -0.02 0.00 -0.03 0.05 -0.07 0.00 0.10 -0.07 0.00 0.18 0.01 -0.02 0.18 -0.06 -0.00 0.11 -0.00 0.07 0.03 -0.06 0.08 0.13 -0.05 0.11 0.13 0.13 0.02 0.20 0.04 0.05 0.19 0.12 0.02 -0.08 -0.05 -0.04 -0.02 -0.15 0.04 -0.08 -0.12 -0.07 -0.05 -0.12 -0.03 -0.03 -0.10 -0.06 -0.07 -0.13 0.04 0.01 0.09 -0.02 0.05 0.02 -0.05 -0.22 0.32 0.13 -0.01 0.06 -0.25 0.06 -0.18 0.32 -0.03 0.03 0.08 -0.04 0.06 0.06 -0.02 0.02 0.04 -0.01 0.03 0.02 -0.01 0.00 -0.01 0.04 -0.03 0.00 -0.08 0.10 0.09 0.03 -0.01 -0.04 -0.01 0.01 -0.00 0.01 -0.03 -0.07 0.00 -0.01 -0.18 0.01 -0.03 -0.12 0.02 -0.09 0.04 0.00 -0.00 -0.18 0.02 -0.05 -0.01 0.03 0.02 -0.05 0.01 0.03 0.05 -0.02 0.05 0.15 -0.01 -0.01 0.16 -0.07 0.09 0.10 -0.06 0.09 0.01 -0.00 0.01 0.02 -0.03 -0.01 0.07 0.00 0.05 0.01 -0.01 0.04 0.03 -0.04 -0.01 -0.02 0.08 -0.05 0.03 0.07 -0.05 0.00 -0.09 0.14 0.02 -0.13 0.14 0.15 -0.08 0.08 0.12 0.06 0.01 -0.03 0.04 -0.02 -0.05 0.03 -0.03 -0.06 -0.05 0.02 0.02 -0.01 -0.01 -0.03 0.02 0.04 0.01 -0.00 -0.05 0.01 0.01 0.02 -0.26 0.14 -0.07 0.14 0.02 -0.08 0.01 -0.09 -0.19 0.11 -0.02 0.05 -0.33 0.16 -0.05 -0.03 -0.05 0.07 0.03 -0.04 0.06 0.24 -0.00 -0.04 0.05 -0.01 0.03 -0.14 0.01 0.00 0.03 0.02 -0.01 0.03 0.02 -0.01 0.03 0.02 -0.01 0.01 0.00 0.00 -0.00 0.02 0.01 0.02 -0.01 0.02 0.03 -0.00 0.03 -0.02 -0.02 -0.02 -0.01 0.01 -0.00 0.02 -0.00 0.03 -0.11 -0.01 0.01 -0.07 -0.00 -0.06 0.13 -0.01 0.04 -0.19 -0.01 0.01 -0.10 0.02 -0.09 0.23 -0.01 -0.00 0.07 -0.04 0.08 -0.06 -0.00 -0.01 0.04 0.02 -0.02 0.02 0.03 -0.01 0.04 0.01 -0.01 0.03 0.01 -0.01 0.02 0.03 -0.01 0.02 0.04 -0.00 0.00 0.01 0.01 -0.00 0.03 0.02 0.04 0.03 0.01 0.00 0.00 0.03 0.03 -0.02 0.01 0.03 -0.03 0.03 0.03 -0.01 0.03 -0.03 0.01 0.04 -0.02 -0.01 0.03 -0.04 -0.01 -0.04 -0.00 -0.04 -0.01 -0.01 -0.04 -0.03 -0.01 0.00 -0.04 0.14 0.00 0.07 -0.23 0.06 0.03 0.22 -0.00 -0.08 0.17 -0.05 -0.19 0.15 -0.02 0.08 -0.29 0.04 -0.32 0.30 0.03 0.05 0.44 -0.06 0.15 -0.19 0.04 0.01 0.05 0.05 0.05 -0.07 -0.04 0.02 0.01 -0.13 0.08 0.01 -0.14 0.10 0.01 -0.14 0.11 -0.00 -0.05 -0.01 -0.01 -0.01 -0.05 -0.05 -0.06 0.02 -0.01 0.04 -0.11 -0.02 0.06 0.05 -0.02 -0.00 -0.03 -0.08 0.00 -0.05 0.02 0.03 -0.04 0.06 0.07 -0.10 0.16 0.03 0.00 0.02 0.04 0.03 0.00 0.03 0.02 -0.01 0.06 -0.02 -0.02 0.10 -0.08 -0.04 0.01 0.03 0.07 -0.12 0.13 0.04 -0.18 0.06 -0.03 -0.14 0.09 0.00 -0.13 0.10 0.01 -0.13 0.18 -0.07 -0.21 0.12 0.06 -0.13 -0.09 0.00 0.01 -0.08 -0.05 -0.01 -0.07 -0.02 -0.12 -0.00 -0.08 -0.08 0.08 0.05 0.02 -0.04 -0.01 0.13 -0.04 -0.02 -0.02 -0.16 -0.02 0.10 -0.19 -0.03 -0.04 0.11 0.01 0.13 -0.08 -0.07 0.17 0.16 -0.03 -0.00 -0.01 -0.15 -0.01 -0.06 0.07 0.01 0.00 0.17 0.09 -0.13 0.29 0.13 -0.19 0.09 0.01 0.02 -0.02 0.00 0.05 -0.02 0.04 -0.01 -0.04 0.13 -0.12 -0.05 -0.02 0.08 -0.05 -0.01 0.04 0.08 0.05 -0.05 0.00 0.01 -0.02 0.00 -0.08 0.08 -0.01 -0.07 0.06 -0.00 -0.01 -0.00 0.01 -0.05 -0.07 0.07 0.17 -0.17 0.01 0.03 -0.05 0.01 0.06 0.03 -0.02 -0.04 -0.07 0.09 -0.05 0.01 -0.03 -0.02 0.05 -0.07 -0.00 0.05 -0.12 -0.03 0.08 -0.07 -0.02 0.07 -0.01 -0.03 -0.00 0.09 0.01 -0.03 0.02 0.06 -0.09 -0.04 0.09 0.03 -0.06 0.08 -0.01 -0.05 -0.01 -0.09 0.07 -0.14 0.09 0.06 -0.09 0.14 -0.08 -0.05 0.10 -0.03 -0.11 0.06 0.02 -0.05 -0.04 0.02 -0.11 -0.06 0.02 -0.06 -0.08 0.11 0.12 -0.25 0.06 0.25 -0.13 -0.02 0.23 -0.21 0.01 0.07 -0.01 0.00 -0.02 -0.08 0.02 0.07 -0.10 0.02 0.02 0.06 -0.00 0.11 -0.04 -0.03 0.12 0.09 -0.03 -0.02 -0.10 0.16 -0.07 0.04 -0.08 0.10 -0.04 -0.09 0.00 0.11 -0.24 -0.10 0.09 -0.03 -0.05 0.08 -0.06 0.00 -0.13 0.12 -0.08 0.07 0.20 0.10 -0.14 -0.10 0.01 -0.05 -0.00 -0.01 -0.04 -0.01 0.03 0.02 -0.01 -0.04 -0.01 0.12 -0.09 0.08 0.15 -0.02 0.04 0.11 -0.04 -0.04 -0.00 0.07 0.10 0.00 0.01 -0.12 -0.14 0.06 -0.01 -0.14 -0.07 -0.10 -0.04 0.05 0.07 0.03 0.05 0.04 0.00 0.02 0.02 0.00 -0.02 0.04 -0.03 0.03 -0.03 0.01 0.01 -0.04 -0.00 0.02 -0.02 -0.03 -0.01 0.01 -0.00 -0.06 0.08 0.03 0.08 0.10 -0.04 -0.02 -0.04 0.08 -0.08 -0.08 0.16 -0.13 0.12 0.23 -0.12 0.12 0.07 0.04 0.09 0.13 0.00 0.04 0.09 -0.11 -0.11 0.01 0.09 0.15 0.05 0.09 0.12 -0.07 -0.06 -0.21 -0.13 -0.02 -0.15 -0.14 0.10 -0.11 -0.25 0.15 0.08 -0.17 0.07 0.03 -0.11 0.06 -0.11 -0.25 -0.11 -0.13 0.03 -0.08 -0.15 -0.11 -0.03 -0.05 -0.06 0.03 0.06 0.07 0.07 0.04 -0.03 -0.02 0.03 -0.03 -0.04 0.03 -0.05 -0.02 0.08 -0.01 0.05 -0.04 0.03 0.02 0.01 -0.04 0.04 -0.04 -0.05 -0.10 0.13 0.06 -0.02 0.04 0.04 0.03 0.02 0.00 0.00 0.04 0.00 -0.02 0.06 0.01 -0.08 0.11 0.01 0.13 -0.09 0.03 0.05 -0.02 0.01 0.01 0.00 -0.02 0.01 0.02 -0.01 -0.01 0.07 -0.00 -0.04 -0.08 0.01 -0.04 -0.04 -0.03 -0.04 -0.06 -0.04 -0.03 -0.05 -0.02 -0.00 -0.07 -0.02 -0.04 -0.02 0.00 -0.00 0.02 0.02 -0.01 0.06 0.01 0.01 0.03 0.00 0.08 -0.07 -0.03 0.03 0.06 0.02 0.01 0.05 -0.02 -0.03 0.01 0.05 -0.14 0.28 0.20 -0.23 0.16 -0.19 0.27 -0.15 0.25 0.21 -0.26 -0.16 0.11 0.03 0.01 0.01 0.04 0.00 0.05 -0.02 -0.04 -0.02 -0.00 -0.03 0.01 0.05 0.01 0.05 -0.01 -0.01 -0.06 0.07 -0.05 0.01 0.13 0.05 -0.02 0.08 -0.01 0.13 -0.15 -0.08 -0.10 0.09 0.12 -0.22 -0.24 -0.00 -0.07 -0.03 -0.01 -0.04 -0.05 -0.05 -0.01 -0.06 -0.02 0.01 -0.06 0.00 0.01 -0.08 -0.03 -0.07 -0.01 0.01 -0.03 0.09 -0.00 -0.01 0.04 -0.02 0.13 -0.14 -0.05 -0.04 0.07 0.03 0.01 0.03 0.01 0.02 0.03 -0.01 -0.03 0.04 0.04 0.16 -0.12 0.09 0.02 0.05 0.06 0.01 0.02 0.01 0.01 0.02 -0.02 0.02 -0.03 -0.07 0.06 0.04 -0.07 -0.03 0.00 0.02 -0.05 -0.03 -0.03 -0.05 -0.06 -0.03 -0.05 -0.05 -0.02 -0.02 -0.06 -0.02 -0.06 -0.01 -0.00 -0.02 0.03 0.02 -0.04 0.07 0.03 -0.01 0.04 0.01 0.07 -0.08 -0.03 0.05 0.07 -0.02 -0.17 0.06 0.17 -0.06 0.13 -0.12 0.30 -0.25 -0.13 0.28 -0.23 0.34 -0.08 0.07 -0.08 0.00 0.18 0.18 -0.03 -0.01 0.00 0.01 0.07 -0.00 0.06 -0.00 -0.05 -0.00 -0.07 -0.04 0.01 -0.07 -0.09 0.04 -0.01 -0.12 0.10 0.05 -0.04 0.12 0.06 -0.09 0.02 0.04 -0.13 -0.12 -0.00 0.10 -0.04 -0.07 -0.08 0.06 0.07 0.04 -0.08 -0.01 -0.03 -0.05 -0.06 -0.03 -0.05 -0.06 -0.03 -0.01 -0.06 0.01 -0.00 -0.08 -0.04 -0.10 0.00 0.00 -0.04 0.08 0.02 -0.04 0.07 0.02 0.13 -0.16 -0.07 0.01 -0.05 0.17 0.01 -0.00 0.00 0.00 -0.01 0.01 0.04 -0.04 0.00 -0.00 -0.00 -0.00 -0.03 0.02 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.02 -0.01 0.01 0.02 0.00 -0.01 0.00 0.02 0.02 -0.01 -0.00 -0.01 0.03 -0.01 0.05 -0.15 -0.01 0.02 -0.07 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.02 0.07 -0.01 0.04 -0.09 -0.00 0.02 -0.03 0.01 -0.01 -0.00 -0.02 -0.03 0.00 0.07 -0.06 -0.04 0.06 -0.06 0.06 -0.03 -0.01 0.01 0.01 0.02 -0.01 -0.04 0.03 -0.03 -0.04 0.04 0.02 -0.02 -0.01 0.00 0.01 0.03 0.03 0.02 0.01 -0.01 0.02 0.03 0.04 -0.01 -0.02 0.01 -0.05 0.03 0.03 0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.02 0.03 0.01 0.03 -0.02 -0.03 0.05 0.05 -0.01 -0.00 -0.07 0.21 -0.02 0.10 -0.31 0.36 -0.16 0.21 -0.02 0.10 -0.31 -0.35 -0.05 0.29 -0.01 0.00 -0.02 -0.10 0.26 -0.14 0.07 -0.08 -0.28 0.03 -0.04 0.03 0.00 -0.02 0.06 -0.01 -0.00 0.03 0.01 -0.01 0.01 0.02 -0.02 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.02 -0.01 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.03 -0.08 -0.00 0.02 -0.03 0.00 0.01 -0.00 -0.00 0.02 -0.03 -0.00 -0.00 0.03 -0.01 0.01 -0.04 -0.01 0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.04 -0.03 -0.01 0.03 -0.03 0.03 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.02 0.03 -0.01 0.04 0.04 -0.02 0.01 0.01 -0.01 0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.02 0.02 -0.00 0.01 -0.03 0.08 -0.01 0.06 -0.16 -0.45 0.27 -0.19 0.03 -0.17 0.48 0.42 -0.05 -0.37 -0.01 0.03 -0.07 -0.05 0.10 -0.06 0.02 -0.04 -0.12 -0.01 -0.01 0.02 0.03 -0.04 0.04 -0.05 0.03 0.03 0.01 0.02 0.01 -0.12 0.13 -0.00 0.03 -0.03 0.00 0.05 -0.05 -0.00 0.02 -0.01 -0.00 -0.04 -0.09 -0.01 0.11 -0.08 0.01 -0.00 0.01 0.00 -0.03 -0.03 0.02 -0.00 -0.02 -0.09 -0.00 0.04 -0.03 0.03 0.07 -0.01 0.06 0.04 0.05 0.03 0.08 -0.01 0.00 0.03 0.03 -0.01 -0.06 -0.05 -0.01 -0.07 -0.04 -0.10 0.04 0.02 0.10 0.10 0.03 -0.23 0.24 0.16 -0.19 0.21 -0.20 0.14 -0.04 -0.10 0.02 -0.14 0.12 0.07 -0.06 0.03 0.07 -0.07 -0.03 0.04 0.02 -0.01 -0.07 -0.17 -0.08 -0.08 -0.12 0.09 -0.04 -0.19 -0.05 0.16 0.07 0.07 0.28 -0.21 0.03 -0.03 -0.02 0.01 0.03 0.03 -0.01 -0.03 0.05 0.00 0.04 -0.05 -0.03 -0.06 0.06 0.07 -0.11 -0.11 0.03 0.04 -0.01 -0.18 -0.05 0.04 0.04 0.16 0.02 0.12 0.06 0.07 -0.00 -0.03 -0.02 0.11 0.04 0.08 -0.04 -0.06 0.01 -0.07 -0.01 -0.10 -0.11 -0.16 0.12 0.07 -0.02 -0.05 0.01 0.04 -0.11 -0.03 -0.01 0.05 0.04 -0.09 0.10 0.02 -0.02 -0.05 -0.04 -0.01 -0.05 -0.08 -0.02 -0.03 -0.05 -0.01 0.07 0.06 0.07 -0.07 0.01 -0.08 -0.07 0.05 -0.01 0.01 -0.02 0.03 0.10 0.06 0.03 0.07 0.02 -0.03 0.01 -0.01 -0.13 0.05 0.03 -0.01 -0.08 -0.06 0.00 -0.10 -0.04 0.07 0.08 0.02 0.04 0.13 0.04 0.15 -0.02 -0.02 0.04 0.12 0.02 -0.14 0.19 0.13 -0.12 0.18 -0.11 0.05 -0.08 -0.12 -0.04 -0.15 0.05 -0.01 -0.05 -0.08 -0.01 -0.05 -0.08 0.02 0.01 -0.06 -0.01 0.03 0.04 -0.06 0.09 0.08 -0.03 -0.18 0.00 0.11 -0.00 0.01 0.19 -0.14 -0.02 -0.16 -0.23 0.17 -0.02 -0.13 -0.05 -0.14 0.09 0.15 0.05 0.02 -0.08 -0.00 0.07 0.04 -0.06 -0.05 -0.01 0.02 0.11 0.05 0.08 0.05 0.01 -0.16 0.10 0.04 -0.18 -0.01 0.04 -0.13 0.07 0.02 0.04 -0.09 -0.08 0.12 0.11 0.00 0.14 0.06 -0.01 0.23 -0.12 -0.05 0.00 0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.00 0.03 -0.01 -0.00 0.05 -0.02 -0.01 0.01 0.04 -0.02 -0.03 0.03 0.02 -0.03 0.03 0.01 0.01 -0.06 -0.03 -0.04 -0.04 0.03 0.03 0.06 0.03 -0.04 -0.00 -0.02 0.02 -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.02 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.01 -0.03 0.00 0.00 0.01 0.00 0.04 0.01 -0.01 0.03 -0.00 -0.01 0.06 -0.04 0.01 0.05 -0.07 -0.02 -0.03 0.08 -0.03 0.01 0.08 -0.03 -0.07 0.06 0.04 -0.03 0.04 0.04 0.04 0.05 0.01 -0.02 -0.22 -0.09 -0.21 -0.13 0.10 0.09 0.12 -0.14 -0.08 -0.15 -0.27 0.28 0.22 -0.01 -0.21 -0.25 0.36 0.07 -0.16 0.07 0.12 0.09 -0.18 -0.22 0.28 0.23 -0.02 -0.01 -0.02 0.06 -0.00 -0.01 -0.04 0.01 -0.02 -0.02 0.03 -0.01 -0.00 0.03 -0.02 -0.02 -0.01 0.01 0.02 -0.02 -0.02 0.00 -0.03 -0.01 0.00 -0.04 0.02 0.01 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.02 -0.01 -0.02 0.03 -0.01 -0.01 0.02 0.00 -0.01 -0.01 0.02 -0.01 -0.02 0.01 -0.00 0.02 -0.01 0.06 0.02 0.03 -0.02 -0.02 0.01 -0.02 -0.05 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.03 -0.02 -0.03 0.04 0.01 -0.03 0.03 -0.03 -0.01 0.03 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.02 -0.02 -0.02 0.01 -0.01 -0.03 0.02 0.00 0.02 -0.01 0.01 0.01 -0.02 0.37 0.10 0.39 0.16 -0.33 -0.26 -0.30 0.29 -0.00 -0.06 -0.20 0.19 0.17 -0.05 -0.16 -0.18 0.19 0.01 -0.14 -0.06 0.10 -0.02 -0.17 -0.13 0.10 0.06 -0.01 -0.02 0.01 -0.03 -0.01 -0.01 0.01 0.02 -0.02 0.00 0.02 -0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.02 0.02 0.01 0.03 0.02 -0.01 0.02 0.04 -0.00 -0.01 0.03 0.04 -0.04 0.05 0.05 -0.01 -0.03 0.00 0.00 0.00 -0.06 0.00 0.01 -0.05 0.04 0.06 0.03 -0.05 -0.03 -0.05 -0.03 -0.05 0.02 0.02 0.06 -0.03 -0.02 -0.03 0.10 -0.02 -0.03 -0.03 0.01 -0.03 0.00 0.05 -0.04 -0.03 0.00 0.00 0.04 0.02 0.03 0.01 -0.00 -0.04 -0.01 0.01 -0.06 -0.02 -0.04 0.01 0.01 0.03 0.05 0.05 -0.08 0.09 0.11 -0.06 0.09 -0.02 0.02 -0.06 -0.05 -0.02 -0.10 0.06 0.00 0.01 -0.07 0.01 0.03 -0.05 0.01 0.04 -0.07 0.06 0.16 0.10 0.11 0.07 -0.07 0.05 -0.03 0.11 -0.06 -0.25 -0.16 -0.17 0.13 -0.16 -0.03 -0.02 -0.01 -0.12 -0.08 0.05 0.05 -0.08 0.09 0.29 0.07 -0.26 0.02 0.32 0.25 -0.24 -0.17 -0.04 -0.05 -0.06 0.26 -0.02 0.02 -0.17 0.02 -0.06 -0.07 0.08 -0.02 -0.01 0.08 -0.03 -0.06 -0.02 0.00 0.06 -0.02 -0.06 0.00 -0.04 -0.02 0.02 -0.08 0.06 0.03 0.02 -0.03 0.01 0.00 -0.03 0.00 -0.06 -0.03 0.02 -0.06 -0.01 0.02 -0.02 -0.02 0.01 0.07 -0.04 -0.01 0.04 0.03 -0.01 -0.06 -0.04 0.02 -0.07 -0.07 -0.02 0.01 0.10 -0.02 0.07 0.08 0.01 -0.02 -0.01 0.01 -0.02 0.01 0.03 -0.00 0.02 0.00 -0.01 0.02 0.01 0.01 0.01 -0.03 0.01 -0.02 -0.01 0.04 -0.00 -0.01 0.03 0.02 0.00 0.03 0.01 0.00 -0.05 -0.02 0.01 -0.09 0.01 0.05 -0.07 0.01 -0.02 -0.01 0.01 0.03 -0.06 -0.04 -0.01 0.11 -0.08 0.08 0.13 -0.08 -0.09 0.07 0.06 -0.02 -0.06 -0.07 -0.00 -0.09 -0.03 0.04 0.09 -0.06 0.19 -0.05 -0.32 -0.18 -0.25 0.11 -0.11 0.01 0.30 -0.26 -0.17 0.19 0.20 0.16 -0.12 -0.04 -0.13 0.15 0.12 0.11 -0.09 -0.12 0.27 0.23 0.06 -0.00 -0.01 -0.02 -0.03 0.01 0.05 -0.01 0.03 0.01 -0.02 0.02 0.01 -0.01 0.03 0.01 0.02 0.00 -0.05 0.04 0.02 -0.02 0.06 -0.01 -0.03 0.03 0.01 0.01 0.03 0.01 -0.09 0.01 0.01 -0.06 -0.01 0.03 -0.03 -0.03 0.05 -0.05 0.01 -0.00 -0.03 -0.00 -0.03 0.01 -0.01 -0.03 0.02 -0.04 0.02 -0.00 0.04 0.04 0.02 -0.02 0.01 -0.00 -0.03 -0.04 0.03 -0.03 -0.03 0.08 -0.04 0.05 -0.13 -0.00 -0.00 0.03 0.00 0.00 0.00 0.01 -0.06 0.17 0.02 -0.02 0.02 0.04 -0.03 0.01 0.04 -0.02 0.00 0.02 0.02 0.01 0.00 0.04 -0.03 -0.06 0.07 -0.01 -0.03 0.07 -0.08 0.05 0.01 -0.05 0.01 -0.02 -0.00 -0.01 -0.05 0.03 -0.01 -0.06 -0.01 -0.01 -0.03 0.02 -0.06 0.06 -0.00 -0.03 0.02 -0.02 -0.04 0.02 -0.07 0.06 0.19 0.09 0.13 -0.07 0.09 -0.01 0.13 -0.14 -0.13 0.05 0.13 0.07 -0.13 -0.02 -0.26 -0.02 0.21 -0.04 -0.23 -0.18 0.19 0.14 0.07 -0.03 -0.12 0.36 -0.06 0.14 -0.39 -0.03 0.01 -0.02 0.01 -0.01 0.04 0.03 0.01 -0.02 0.02 -0.08 0.23 0.09 -0.13 0.04 0.00 0.03 0.11 -0.00 0.05 0.01 0.02 -0.03 -0.04 -0.02 -0.02 -0.02 -0.05 -0.03 -0.03 -0.02 -0.03 -0.03 0.01 0.02 0.03 0.00 0.06 0.04 0.03 0.04 0.03 -0.10 -0.07 -0.01 -0.06 -0.02 -0.01 0.09 0.05 -0.03 0.03 -0.00 -0.00 -0.04 -0.04 0.03 -0.04 0.03 -0.03 -0.00 0.03 0.02 -0.02 0.04 0.02 0.01 -0.02 0.05 0.01 -0.03 -0.00 0.06 -0.01 0.00 0.04 0.02 0.01 0.05 0.02 0.01 -0.06 -0.05 -0.03 -0.03 -0.05 -0.04 -0.02 -0.05 -0.00 0.02 0.02 0.01 0.04 0.05 0.04 -0.01 0.09 -0.01 -0.03 0.08 0.08 0.02 0.02 0.04 -0.13 -0.10 -0.05 -0.14 -0.07 0.05 -0.04 -0.00 -0.00 -0.06 -0.04 -0.01 -0.08 -0.00 -0.01 0.09 -0.17 0.23 0.38 0.03 -0.28 -0.16 0.30 -0.11 0.29 -0.06 -0.18 0.01 0.21 0.20 -0.23 -0.19 -0.07 -0.00 -0.09 0.11 -0.08 0.07 -0.10 -0.03 0.05 0.01 -0.03 0.02 0.02 -0.01 0.05 0.01 0.04 -0.03 0.06 0.09 -0.04 0.01 0.07 0.01 0.02 0.05 0.02 0.00 0.09 -0.06 0.08 0.07 -0.02 0.06 -0.01 0.05 -0.07 -0.02 0.05 -0.09 0.03 0.02 -0.04 -0.02 0.00 0.03 -0.01 -0.02 0.04 -0.08 0.07 0.03 -0.02 0.10 -0.05 0.01 -0.00 -0.01 -0.05 -0.07 0.03 -0.10 -0.05 0.22 -0.08 -0.09 0.17 -0.02 -0.02 0.00 0.01 -0.01 -0.06 -0.02 0.07 -0.21 0.05 0.02 -0.04 0.08 -0.05 -0.05 0.10 -0.07 -0.04 0.01 0.05 0.01 -0.03 0.05 -0.09 -0.05 0.06 -0.06 -0.02 0.07 -0.11 0.07 0.03 -0.08 0.06 0.02 -0.00 -0.05 0.00 -0.01 -0.07 -0.01 0.05 -0.02 -0.04 0.05 -0.17 0.21 0.02 -0.06 0.08 -0.02 -0.12 0.10 -0.21 -0.06 0.25 0.07 0.10 -0.02 0.00 0.03 0.01 0.00 0.04 0.01 -0.01 -0.01 -0.01 -0.04 -0.14 -0.10 0.13 -0.08 -0.14 -0.09 0.03 -0.00 0.04 -0.13 -0.06 0.28 -0.09 -0.08 0.13 -0.01 -0.08 -0.11 0.03 0.02 -0.09 0.04 0.04 -0.07 -0.04 0.10 -0.27 0.01 0.07 -0.08 0.10 -0.12 -0.16 -0.06 0.14 0.06 0.08 0.12 0.03 0.30 0.05 -0.01 -0.07 0.01 0.01 0.02 -0.06 0.02 -0.00 -0.02 0.02 0.00 0.00 0.01 0.01 0.01 0.00 -0.09 0.04 0.03 0.03 -0.06 0.06 0.02 0.02 -0.01 0.03 0.02 -0.00 -0.04 0.13 -0.10 -0.03 0.03 -0.03 -0.08 -0.04 -0.04 -0.22 -0.01 0.03 -0.05 -0.10 0.01 0.10 0.05 0.02 -0.01 -0.06 -0.01 0.07 -0.19 -0.10 -0.10 0.02 0.03 -0.11 0.02 -0.06 0.06 -0.14 -0.07 0.08 -0.08 0.11 -0.03 -0.02 0.04 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.02 0.01 0.01 0.01 0.01 -0.07 -0.08 -0.01 -0.15 0.05 0.10 -0.02 -0.14 0.08 0.12 0.02 0.04 0.11 -0.14 0.09 0.02 0.01 0.01 0.06 0.04 -0.03 -0.01 0.04 -0.04 0.07 0.03 -0.04 0.04 0.05 0.05 -0.01 -0.00 -0.01 -0.06 0.18 -0.23 0.04 -0.04 0.08 -0.21 0.07 0.08 -0.27 -0.09 0.03 -0.24 -0.01 0.05 -0.11 -0.09 0.04 -0.13 -0.11 0.01 -0.12 -0.03 0.03 -0.21 0.17 0.11 -0.00 0.02 -0.04 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.05 0.02 -0.14 0.36 -0.02 0.06 -0.18 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 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 0.00 -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 0.20 0.45 -0.20 -0.25 -0.23 -0.42 -0.04 0.17 -0.45 -0.11 0.06 0.04 0.24 -0.08 -0.04 -0.03 -0.05 -0.03 -0.08 0.04 -0.09 -0.02 0.02 -0.05 -0.02 -0.00 0.01 0.02 -0.00 0.05 -0.04 -0.04 0.01 -0.04 -0.01 -0.01 0.05 0.06 -0.03 0.01 -0.03 0.04 0.11 0.03 0.13 0.10 0.09 0.03 0.05 0.03 0.02 0.15 0.01 -0.02 0.04 -0.06 -0.03 0.01 -0.07 -0.03 -0.17 0.05 0.03 -0.20 0.03 0.01 -0.12 -0.10 -0.03 -0.01 -0.05 -0.00 -0.13 0.13 0.01 -0.14 0.07 -0.18 0.04 0.04 -0.09 0.00 0.00 -0.02 -0.03 -0.00 0.00 -0.06 -0.03 0.02 0.02 -0.01 0.06 -0.08 -0.10 -0.05 -0.17 0.02 0.07 -0.01 0.03 -0.00 -0.06 -0.03 -0.01 -0.09 0.02 0.00 0.07 0.05 0.00 0.16 0.11 -0.06 -0.04 0.09 -0.12 0.01 -0.04 0.05 -0.01 -0.02 0.02 0.00 -0.03 0.04 0.19 -0.06 0.24 0.13 0.12 -0.09 0.15 -0.07 -0.06 0.24 0.09 0.01 0.19 -0.03 -0.05 0.13 -0.08 -0.06 -0.19 0.04 0.03 -0.18 0.05 0.03 -0.05 -0.20 -0.06 -0.02 -0.05 -0.02 0.02 -0.05 -0.02 -0.09 0.08 0.00 0.04 -0.06 0.05 0.01 -0.03 0.04 0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.12 0.12 0.04 0.05 -0.03 0.04 -0.02 -0.01 0.00 0.01 0.03 -0.02 -0.11 0.12 -0.06 -0.09 0.02 -0.00 -0.01 0.03 -0.01 0.23 -0.07 -0.03 -0.00 0.00 0.02 -0.01 -0.05 -0.01 0.02 -0.01 -0.00 -0.01 0.03 0.02 0.02 -0.01 -0.00 -0.14 0.10 -0.11 0.09 -0.20 -0.09 0.15 -0.07 0.20 -0.02 -0.04 0.06 0.01 -0.02 0.02 0.01 -0.00 0.00 0.03 0.02 0.01 -0.01 0.01 -0.02 -0.11 0.07 0.02 -0.13 0.11 0.07 -0.03 -0.14 0.08 0.17 0.08 0.02 0.16 -0.13 0.08 -0.02 -0.01 -0.00 -0.04 -0.02 0.01 0.00 -0.01 0.02 0.04 0.04 -0.05 0.03 0.04 0.02 -0.00 0.02 -0.02 -0.14 0.17 -0.17 -0.06 -0.03 0.10 0.27 -0.18 -0.06 0.38 0.07 0.03 0.24 -0.23 -0.07 0.05 -0.02 0.02 0.05 -0.01 -0.00 0.04 -0.01 -0.00 0.04 -0.03 -0.01 -0.01 -0.00 0.00 0.11 -0.04 -0.02 0.07 0.04 -0.05 0.04 -0.00 0.07 0.05 0.02 0.14 0.09 0.02 0.05 -0.04 0.05 -0.08 -0.06 -0.10 -0.04 0.02 0.10 -0.08 -0.07 -0.12 0.06 -0.04 0.04 -0.11 -0.05 -0.10 -0.01 -0.06 0.02 0.01 0.00 0.07 0.03 -0.01 0.09 0.03 0.02 -0.00 -0.00 0.01 -0.04 -0.02 -0.02 0.00 0.00 -0.04 0.01 0.00 -0.02 -0.02 -0.01 0.09 0.05 -0.03 0.00 -0.09 0.04 0.03 -0.05 0.10 0.04 0.01 0.14 0.05 0.03 0.12 0.16 -0.00 0.16 0.23 0.03 -0.05 -0.05 0.05 -0.09 -0.19 -0.12 -0.16 -0.07 -0.18 0.12 0.06 0.17 -0.11 -0.05 0.05 -0.05 -0.04 0.14 -0.08 -0.06 -0.12 0.07 -0.27 -0.27 0.07 0.10 -0.15 0.25 -0.03 -0.01 -0.09 -0.02 -0.02 -0.14 -0.04 0.08 -0.17 0.00 -0.13 0.02 -0.14 0.07 0.00 -0.01 0.09 0.03 -0.03 0.08 0.03 -0.01 0.11 0.03 0.08 -0.02 -0.02 -0.02 0.00 0.00 -0.02 0.00 -0.00 -0.01 -0.04 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.04 -0.09 -0.08 -0.05 -0.01 -0.03 -0.05 0.09 -0.00 -0.08 0.08 -0.09 -0.04 -0.00 0.03 0.04 -0.08 0.08 0.06 0.06 -0.07 0.01 -0.09 0.11 0.10 -0.02 0.02 -0.01 0.03 0.02 -0.01 0.01 0.01 -0.02 0.02 -0.01 0.00 -0.01 0.00 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 -0.01 -0.04 -0.08 -0.16 -0.05 0.04 -0.16 -0.08 -0.07 0.03 -0.00 0.08 -0.03 -0.05 0.10 0.04 -0.14 0.20 0.12 -0.10 -0.02 -0.11 -0.05 -0.01 0.06 0.12 -0.00 0.04 0.08 -0.19 0.12 0.13 0.03 0.19 0.23 0.08 0.05 -0.05 0.27 -0.08 -0.00 -0.08 0.04 0.08 -0.10 -0.16 0.05 -0.16 0.20 0.26 -0.21 0.29 0.08 0.21 0.09 0.11 -0.07 0.02 -0.03 0.11 0.02 0.01 -0.06 -0.02 -0.02 -0.03 -0.02 0.00 -0.04 -0.00 0.05 -0.00 -0.01 0.02 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.02 0.01 -0.08 0.03 0.02 -0.05 -0.05 -0.03 -0.05 -0.01 -0.06 0.03 0.02 0.02 0.05 -0.00 0.05 -0.06 0.14 0.03 -0.05 0.00 0.01 -0.02 -0.03 0.03 0.07 -0.04 0.08 -0.06 0.01 -0.13 0.09 0.09 0.05 0.09 0.02 -0.00 -0.01 -0.07 -0.02 0.00 -0.10 -0.04 -0.02 -0.02 -0.01 -0.01 0.03 0.01 0.01 0.01 0.00 0.03 -0.02 -0.01 0.01 0.01 0.00 -0.07 -0.06 -0.04 -0.11 0.03 0.01 -0.09 0.01 -0.13 0.08 0.04 0.00 0.05 0.03 0.02 0.07 -0.13 0.24 0.20 -0.07 -0.11 -0.06 0.14 0.02 -0.05 -0.10 -0.04 -0.19 0.07 0.07 -0.01 -0.02 0.04 0.02 0.01 0.02 -0.03 -0.06 0.08 0.24 0.00 0.19 -0.05 -0.24 -0.02 0.18 -0.14 0.13 0.01 -0.17 -0.06 -0.03 -0.11 -0.23 -0.11 0.12 -0.34 0.11 0.07 0.06 0.19 -0.02 -0.04 0.00 -0.12 -0.05 0.03 -0.07 -0.03 0.01 -0.11 -0.04 -0.08 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.04 0.01 0.00 0.02 0.00 -0.06 0.03 0.01 0.06 0.05 -0.02 0.03 0.02 0.03 0.00 0.01 0.04 -0.00 0.00 0.01 0.01 -0.09 -0.04 -0.10 -0.06 0.06 0.01 0.07 -0.09 -0.08 -0.01 -0.05 0.04 0.01 0.06 0.08 0.07 0.05 0.07 0.03 -0.00 -0.02 -0.05 -0.05 0.00 -0.09 -0.03 -0.02 -0.03 0.01 -0.01 0.02 0.02 0.01 0.01 0.00 0.04 -0.02 -0.01 0.01 0.02 0.00 0.07 0.07 -0.04 0.03 -0.01 0.00 0.03 -0.01 0.06 -0.00 -0.00 0.02 0.00 0.01 0.04 0.02 0.07 -0.05 -0.04 0.03 0.06 -0.00 -0.10 -0.03 -0.28 -0.31 -0.22 -0.31 -0.11 0.41 0.03 0.12 -0.12 -0.09 -0.01 -0.06 -0.04 0.14 -0.15 -0.19 -0.04 -0.12 -0.03 0.09 0.01 -0.12 0.06 -0.04 0.00 0.14 -0.02 0.06 0.06 0.14 0.08 -0.04 0.17 0.13 0.05 0.00 0.17 -0.02 0.00 0.02 -0.09 -0.02 0.04 -0.07 0.01 0.00 -0.16 -0.04 -0.07 -0.02 0.04 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.01 0.04 0.02 0.00 0.00 0.01 -0.02 0.01 0.01 -0.07 -0.04 -0.07 -0.08 -0.06 0.03 -0.04 0.01 0.10 0.05 0.10 -0.07 0.15 -0.02 -0.11 -0.02 0.01 -0.09 0.02 0.00 0.05 0.01 0.00 0.05 -0.04 -0.02 0.03 0.04 0.01 0.01 0.04 0.00 0.01 0.01 -0.04 0.06 -0.01 -0.02 -0.02 0.00 0.00 -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 -0.06 -0.04 -0.06 -0.11 -0.12 0.01 -0.11 -0.12 0.06 -0.05 -0.04 0.07 -0.06 -0.02 0.10 0.09 0.29 -0.26 -0.05 0.22 0.10 0.18 0.02 -0.11 0.02 0.03 -0.05 -0.05 0.07 -0.15 0.06 0.02 0.08 0.15 0.13 0.03 -0.00 -0.09 0.22 -0.17 -0.06 -0.04 -0.10 0.01 0.14 0.09 0.08 0.23 -0.15 -0.05 0.14 -0.24 0.11 -0.09 -0.01 -0.15 0.23 0.06 -0.05 0.13 0.05 0.03 -0.11 -0.03 -0.08 -0.07 -0.02 -0.00 -0.07 0.01 0.08 -0.01 -0.02 0.02 -0.07 -0.01 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 0.01 -0.02 0.12 0.02 0.01 0.00 0.11 -0.07 -0.10 -0.03 -0.06 -0.06 -0.07 -0.02 0.05 0.06 -0.04 -0.02 -0.05 0.05 0.05 -0.04 0.07 0.04 0.02 0.00 -0.00 -0.01 0.02 -0.01 -0.04 0.03 -0.01 -0.03 0.04 -0.08 0.16 -0.02 -0.00 -0.01 0.02 0.02 -0.05 0.02 0.02 -0.02 0.00 -0.01 -0.00 -0.05 0.03 0.01 -0.01 -0.02 -0.01 0.03 0.16 0.03 0.08 -0.14 -0.03 0.14 0.00 0.27 -0.13 -0.16 -0.03 -0.13 -0.17 -0.01 -0.11 -0.14 -0.03 -0.06 -0.09 -0.09 0.01 0.08 0.06 -0.10 -0.16 -0.17 -0.09 -0.09 0.15 0.02 -0.03 0.03 0.10 0.04 -0.09 0.08 0.04 -0.07 0.19 0.10 0.07 0.12 0.03 -0.03 0.04 -0.02 -0.09 0.05 -0.09 0.01 0.02 -0.04 -0.03 -0.04 0.03 -0.10 0.06 -0.09 0.17 0.02 0.06 -0.23 -0.10 -0.16 -0.16 -0.07 0.01 -0.18 0.03 0.28 0.00 -0.01 0.09 -0.21 0.01 -0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.05 -0.02 0.03 -0.02 0.00 -0.00 0.02 0.01 -0.11 0.05 0.06 0.07 0.06 -0.09 0.13 0.11 -0.02 0.05 0.04 0.10 -0.03 -0.07 -0.03 -0.03 -0.01 -0.03 -0.07 -0.10 0.05 -0.10 -0.06 -0.05 0.01 0.00 0.01 0.02 0.00 -0.04 0.03 -0.01 -0.03 0.04 -0.08 0.14 -0.03 -0.00 -0.01 0.03 0.02 -0.04 0.02 0.03 -0.01 0.00 -0.02 -0.01 -0.06 0.04 0.02 -0.02 -0.02 -0.01 -0.14 0.01 0.07 0.12 0.00 -0.16 0.20 0.10 0.02 0.20 0.18 -0.02 0.20 0.17 -0.01 0.07 0.06 0.10 0.07 0.04 0.09 -0.08 -0.11 -0.03 0.06 -0.06 0.02 -0.03 0.00 -0.04 -0.15 -0.27 0.15 0.00 -0.14 -0.03 0.04 -0.10 -0.06 -0.19 -0.10 -0.08 -0.11 -0.03 -0.01 -0.10 -0.01 0.01 -0.01 0.12 -0.06 0.07 -0.00 0.09 0.06 0.01 0.06 0.04 -0.06 0.13 0.02 0.04 -0.19 -0.09 -0.13 -0.13 -0.08 0.00 -0.16 0.02 0.25 0.01 -0.01 0.08 -0.18 0.02 -0.01 -0.01 0.03 -0.02 -0.01 0.01 -0.07 -0.02 -0.15 0.10 0.06 -0.04 -0.11 -0.04 0.01 0.00 0.04 0.03 0.02 0.01 0.02 0.01 -0.02 -0.00 -0.00 0.01 -0.02 -0.01 0.01 0.05 -0.04 -0.05 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.02 -0.06 -0.01 0.09 -0.00 -0.06 0.02 0.18 0.08 0.04 0.00 -0.07 -0.04 -0.05 -0.12 -0.09 -0.05 -0.06 0.14 0.06 0.30 -0.24 -0.11 0.07 0.11 0.04 0.03 -0.01 0.08 0.05 0.03 -0.01 0.06 0.04 0.02 0.02 0.02 -0.01 0.02 0.02 -0.02 -0.01 -0.02 0.02 0.00 -0.02 -0.00 -0.02 -0.01 0.01 0.10 -0.03 -0.00 0.10 -0.06 -0.08 -0.03 -0.05 0.02 -0.02 -0.06 0.00 0.01 -0.00 -0.03 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.01 0.01 -0.01 0.03 -0.01 0.02 0.01 0.01 -0.01 0.09 -0.10 0.07 -0.04 0.15 -0.14 0.05 -0.24 -0.18 0.20 0.21 -0.09 0.16 0.14 -0.05 0.03 -0.02 -0.22 -0.18 0.12 0.07 -0.17 0.12 0.03 -0.08 0.33 0.13 0.03 -0.06 -0.02 0.06 0.03 0.00 0.14 -0.14 0.01 -0.01 -0.03 -0.02 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.04 -0.00 0.08 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.09 -0.06 -0.07 0.10 -0.05 -0.11 -0.03 0.18 0.01 -0.03 -0.01 -0.10 0.02 -0.01 -0.01 0.03 0.01 0.05 -0.07 -0.03 -0.04 0.05 0.02 0.01 -0.01 -0.00 0.11 -0.14 -0.05 -0.09 0.21 0.21 -0.23 -0.03 -0.29 -0.04 0.02 0.04 -0.01 0.05 -0.04 0.02 0.02 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.03 -0.04 0.05 0.01 0.01 0.10 0.07 0.21 -0.18 -0.19 -0.03 0.12 -0.11 0.07 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.02 -0.06 0.12 -0.12 -0.05 0.09 -0.06 -0.04 -0.33 -0.21 0.14 0.16 -0.12 0.10 0.11 -0.06 -0.13 0.11 -0.24 0.09 -0.06 -0.03 0.09 -0.06 -0.02 0.03 -0.04 -0.01 -0.01 0.06 0.02 -0.06 -0.04 -0.02 0.05 -0.06 -0.02 -0.02 -0.04 -0.03 -0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.01 -0.05 0.08 0.15 0.01 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.07 0.06 -0.02 -0.03 -0.14 -0.12 0.18 -0.08 0.04 0.02 0.05 0.02 0.16 0.01 -0.01 0.04 -0.05 -0.00 -0.06 0.08 0.03 0.01 -0.04 -0.02 -0.02 0.00 0.00 -0.03 -0.04 -0.15 -0.09 0.09 0.11 -0.16 -0.04 -0.21 -0.03 0.02 0.04 -0.00 0.04 -0.03 0.01 0.02 0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.11 -0.01 0.06 -0.13 0.09 0.24 0.04 0.12 -0.11 -0.08 0.02 0.05 -0.05 0.03 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.02 -0.01 0.00 0.00 -0.02 0.02 -0.01 -0.00 -0.01 0.01 -0.29 0.20 -0.12 -0.03 -0.17 -0.02 -0.09 0.17 0.01 -0.23 -0.15 -0.13 -0.01 0.38 0.11 0.17 0.07 -0.17 -0.09 0.06 0.04 -0.10 0.08 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 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.04 -0.01 0.05 -0.13 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 0.03 0.05 -0.34 0.93 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 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 0.02 0.08 -0.11 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.55 0.76 0.31 -0.00 0.03 -0.08 -0.01 0.04 -0.11 -0.03 0.02 -0.01 -0.03 0.00 -0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.02 0.04 0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.04 0.04 0.01 0.02 -0.01 -0.01 0.01 -0.03 -0.00 -0.01 0.01 -0.01 0.01 -0.05 0.02 -0.13 0.35 0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.03 0.01 0.06 -0.10 -0.16 0.04 -0.07 0.15 0.08 -0.05 -0.13 0.04 -0.06 0.15 0.04 -0.00 0.06 0.01 -0.04 -0.05 0.00 -0.01 -0.00 0.03 0.08 0.11 0.08 -0.01 -0.07 0.00 -0.01 0.01 0.05 0.03 -0.04 0.02 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.05 0.01 -0.16 0.02 -0.07 0.25 -0.04 -0.09 -0.07 0.01 0.04 -0.07 0.04 0.08 -0.02 -0.05 0.24 -0.67 0.04 -0.09 0.01 -0.03 0.06 0.07 -0.00 0.01 -0.03 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.03 0.01 -0.01 -0.05 0.05 -0.01 -0.02 0.05 -0.02 0.01 0.00 -0.01 0.01 -0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.02 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.01 -0.02 0.18 -0.07 -0.23 0.00 -0.17 0.24 0.18 -0.23 -0.42 0.18 -0.15 0.46 0.19 -0.03 0.30 0.09 -0.20 -0.29 -0.02 -0.04 0.02 0.03 0.00 0.05 0.02 0.01 -0.00 0.03 0.05 -0.04 -0.03 -0.00 0.02 -0.03 0.01 0.01 -0.03 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.02 0.01 -0.00 -0.03 0.04 -0.03 0.01 -0.01 0.01 -0.05 0.05 -0.01 0.02 -0.03 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.07 -0.00 0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.24 -0.21 -0.07 0.22 0.04 -0.00 -0.04 0.04 -0.01 -0.03 -0.02 -0.05 -0.00 -0.02 0.01 0.00 -0.02 0.03 0.02 -0.01 -0.01 0.05 0.01 0.04 -0.00 0.02 -0.01 0.02 0.01 0.01 -0.01 0.02 -0.03 0.08 0.02 0.02 0.06 -0.16 -0.06 0.04 -0.03 -0.02 -0.01 0.01 0.00 -0.07 0.31 0.11 -0.21 0.04 0.04 -0.03 -0.07 -0.03 0.11 0.00 -0.01 0.10 0.08 0.02 -0.06 -0.00 0.02 -0.05 -0.07 -0.07 0.00 -0.02 -0.01 0.01 0.06 0.05 -0.03 0.01 -0.06 -0.04 0.02 -0.06 -0.04 0.04 0.11 0.01 -0.01 -0.02 0.01 -0.20 -0.10 -0.10 0.01 0.24 -0.03 -0.08 0.07 0.09 0.03 -0.08 0.06 -0.01 -0.03 -0.02 -0.01 -0.00 0.00 0.01 0.03 0.03 0.03 0.04 -0.03 0.04 -0.03 -0.02 0.03 -0.02 -0.00 0.01 -0.00 -0.05 0.07 0.07 0.14 -0.19 -0.09 -0.06 0.19 0.06 -0.18 -0.17 -0.05 -0.06 0.17 0.08 -0.10 0.31 0.11 0.02 -0.09 -0.02 0.02 -0.07 -0.04 0.13 0.05 0.01 0.02 0.01 0.02 -0.02 -0.01 0.03 -0.08 0.07 0.01 -0.10 -0.04 -0.12 -0.02 -0.03 0.01 -0.00 -0.07 0.09 0.05 -0.04 -0.03 0.05 -0.06 0.18 0.05 0.08 -0.07 0.05 0.02 0.03 -0.04 0.06 -0.08 0.02 -0.06 0.00 0.02 0.05 -0.05 -0.02 -0.00 0.04 -0.00 0.00 0.01 -0.01 -0.05 0.01 0.01 0.04 -0.09 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.09 0.07 0.00 -0.02 -0.21 -0.30 0.03 -0.10 0.11 0.11 0.14 0.04 -0.07 -0.04 -0.04 -0.09 0.04 -0.14 -0.13 0.07 0.29 0.03 -0.02 -0.05 0.18 0.05 0.34 0.22 -0.08 0.01 -0.01 -0.04 -0.00 0.11 0.05 -0.14 0.14 0.08 -0.16 -0.05 -0.02 -0.01 0.01 0.05 0.09 0.08 0.09 0.12 -0.08 0.12 -0.10 -0.06 0.09 -0.07 -0.01 0.04 -0.01 0.07 0.00 -0.24 0.01 -0.01 0.15 -0.00 -0.09 -0.04 0.05 0.07 -0.00 0.03 0.01 -0.02 -0.01 -0.04 -0.00 -0.00 0.02 -0.00 0.01 -0.02 -0.02 -0.00 -0.01 0.00 -0.02 -0.02 0.01 0.01 -0.01 0.01 -0.07 0.01 -0.03 -0.02 -0.02 0.01 0.04 -0.00 0.02 0.07 0.08 -0.11 -0.06 0.10 0.04 -0.02 -0.04 0.08 0.02 0.04 -0.04 -0.10 -0.04 -0.06 0.07 -0.08 0.13 0.02 -0.06 0.03 0.02 0.07 -0.05 0.02 0.00 0.02 -0.03 -0.06 -0.01 0.02 0.03 0.05 -0.01 0.02 -0.06 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.09 0.01 -0.05 -0.13 -0.08 0.07 -0.02 0.03 -0.05 -0.08 0.01 0.12 -0.04 0.05 -0.12 0.05 0.03 -0.06 0.17 0.14 -0.14 0.01 0.16 0.03 0.07 0.16 0.25 0.12 -0.02 -0.15 0.02 -0.00 0.01 0.11 0.08 -0.09 0.04 -0.01 0.00 0.12 0.04 0.05 -0.09 -0.16 -0.20 -0.09 -0.18 -0.19 0.17 -0.24 0.17 0.11 -0.18 0.09 -0.01 -0.02 -0.04 0.09 0.01 -0.28 0.01 -0.03 0.24 -0.05 -0.10 -0.05 -0.04 -0.05 -0.05 -0.01 -0.00 -0.02 0.03 0.08 -0.12 -0.01 0.02 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.01 0.03 0.01 -0.02 0.04 0.01 -0.05 0.04 -0.01 -0.02 -0.06 -0.04 0.00 -0.01 0.01 0.01 0.06 -0.03 -0.01 0.05 0.00 0.08 0.01 0.04 -0.01 0.04 -0.02 -0.04 -0.01 -0.03 0.04 -0.04 0.05 0.04 0.00 -0.01 0.02 -0.14 -0.03 -0.08 -0.04 -0.02 0.10 0.21 0.07 -0.12 -0.15 -0.06 -0.02 0.02 0.03 0.04 -0.06 -0.02 -0.01 0.02 0.01 0.01 0.00 0.00 -0.13 -0.06 0.03 -0.15 -0.04 0.08 -0.06 -0.00 -0.16 -0.09 -0.06 0.05 0.04 0.08 -0.04 0.07 0.00 0.10 0.11 0.01 -0.14 -0.01 0.03 0.02 0.02 -0.23 -0.13 -0.05 -0.04 0.29 -0.06 -0.14 0.12 0.16 0.05 -0.14 0.11 -0.03 -0.04 0.02 -0.00 0.01 -0.05 -0.06 -0.07 -0.02 -0.04 -0.04 0.06 -0.11 0.09 0.01 -0.03 0.01 0.00 -0.05 0.02 -0.10 0.03 0.11 0.10 -0.14 -0.15 0.11 0.19 0.06 0.17 0.28 0.11 0.10 0.16 0.06 -0.21 -0.16 0.02 0.03 -0.04 -0.02 0.03 -0.04 -0.01 0.02 -0.02 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 0.03 -0.05 -0.03 -0.04 0.08 0.03 0.01 0.03 -0.00 0.07 -0.06 -0.02 -0.02 0.00 0.03 -0.03 0.00 -0.02 -0.01 -0.05 0.02 -0.03 -0.01 -0.00 -0.02 0.00 0.01 0.01 0.02 0.03 0.01 -0.04 -0.05 -0.01 -0.03 -0.01 0.04 0.07 0.03 -0.03 -0.05 0.01 -0.01 0.02 -0.02 0.01 -0.02 -0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.16 0.08 -0.03 0.20 -0.06 -0.24 0.06 -0.08 0.34 0.18 0.15 -0.04 -0.15 -0.17 0.04 -0.08 0.07 -0.34 -0.10 0.14 0.26 0.06 0.13 -0.04 -0.04 0.06 -0.01 -0.07 0.07 -0.09 0.09 0.16 -0.10 -0.12 -0.01 0.13 -0.17 -0.02 0.14 0.09 0.05 0.03 0.00 -0.04 -0.05 -0.03 -0.09 -0.09 0.05 0.01 -0.05 0.10 -0.12 0.05 -0.02 0.11 -0.13 -0.02 0.07 -0.09 0.08 -0.13 0.11 0.02 0.07 0.02 0.02 0.06 0.01 0.04 0.11 0.04 -0.08 0.01 -0.13 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.02 0.02 -0.07 -0.01 -0.04 -0.00 0.01 0.00 0.06 -0.01 -0.01 -0.01 0.04 0.02 0.02 -0.01 0.07 0.03 0.02 -0.02 -0.04 -0.01 -0.02 0.01 -0.02 0.04 -0.02 0.05 -0.10 -0.02 -0.02 0.09 0.00 0.01 0.02 -0.02 -0.03 -0.02 0.01 0.06 -0.09 0.01 -0.04 0.08 -0.00 0.02 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.02 0.04 -0.08 -0.17 -0.03 -0.12 0.12 0.11 0.09 -0.02 -0.08 -0.08 0.02 -0.01 0.07 -0.18 -0.01 0.12 0.14 0.05 0.13 -0.04 0.14 -0.13 0.11 0.03 -0.02 0.06 0.03 0.06 -0.08 -0.05 -0.02 0.02 0.01 0.06 -0.07 0.06 0.02 0.03 -0.05 -0.08 -0.09 -0.02 -0.08 -0.06 0.08 -0.08 0.03 0.07 -0.10 0.04 -0.02 0.05 -0.08 -0.02 -0.08 0.29 -0.07 0.17 -0.39 0.01 0.00 0.02 -0.01 -0.04 0.03 -0.04 -0.09 -0.01 0.07 -0.17 0.51 0.01 -0.01 0.01 -0.00 0.03 0.02 -0.01 -0.00 -0.00 -0.04 -0.02 -0.01 0.01 0.04 0.01 -0.03 -0.03 -0.00 0.05 0.03 0.06 0.02 0.00 -0.01 -0.03 0.01 -0.01 -0.00 -0.03 -0.00 -0.13 -0.03 0.03 0.03 -0.00 -0.03 0.02 0.01 0.02 -0.01 0.00 -0.03 0.02 -0.03 -0.01 0.04 0.01 -0.04 0.02 -0.06 0.03 0.03 0.04 0.02 -0.02 -0.02 -0.12 -0.01 0.01 0.06 -0.02 -0.04 -0.02 0.02 0.01 0.01 0.03 0.02 0.00 -0.01 0.08 -0.12 -0.02 0.05 0.13 0.06 0.12 -0.03 -0.06 -0.03 0.04 0.04 0.06 -0.05 -0.01 -0.06 0.10 0.02 -0.06 -0.10 -0.04 -0.09 0.04 0.05 0.26 0.32 0.05 0.06 -0.36 0.08 0.13 -0.12 -0.06 0.03 0.06 -0.07 0.03 0.03 -0.02 -0.00 -0.01 0.05 0.06 0.05 -0.00 0.04 0.02 -0.05 0.06 -0.03 -0.04 0.06 -0.01 0.02 -0.04 0.06 0.14 -0.03 -0.19 0.11 -0.03 -0.01 0.00 0.07 0.02 -0.01 0.01 -0.01 0.03 0.12 0.04 -0.03 -0.25 0.52 -0.03 -0.05 -0.01 -0.03 -0.02 -0.00 0.03 0.02 0.00 0.02 0.02 -0.00 -0.01 -0.02 -0.02 0.02 0.03 -0.04 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.09 0.02 -0.04 -0.06 -0.02 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.04 0.11 -0.02 0.04 -0.11 -0.01 0.00 0.07 -0.02 -0.02 0.01 -0.00 0.07 -0.09 0.01 -0.03 0.03 0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 -0.05 0.07 0.02 -0.02 -0.04 -0.02 -0.03 0.02 0.02 -0.00 -0.02 -0.01 -0.02 0.03 0.01 0.02 -0.04 -0.02 0.01 0.03 0.01 0.02 -0.01 -0.15 -0.05 -0.28 -0.03 -0.05 0.24 -0.05 -0.11 0.16 0.12 0.04 -0.07 -0.01 -0.11 0.11 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.00 -0.01 0.02 -0.02 0.01 -0.00 0.02 -0.03 -0.09 0.17 -0.38 -0.04 -0.08 0.26 -0.04 -0.12 -0.05 0.02 0.03 -0.03 0.02 0.01 -0.02 0.06 -0.19 0.59 0.02 0.01 0.01 0.02 0.03 0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 0.02 0.02 0.01 0.01 -0.05 -0.06 -0.04 -0.02 0.01 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.07 0.06 -0.02 -0.07 -0.05 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 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 -0.03 -0.02 -0.02 -0.01 0.00 0.02 -0.02 -0.01 -0.01 0.03 0.02 0.01 0.02 0.02 0.03 0.04 0.03 -0.04 0.04 0.02 -0.05 0.19 -0.05 0.24 0.02 -0.03 0.01 0.00 -0.01 0.04 0.01 -0.01 0.02 0.04 0.03 -0.03 -0.01 -0.03 0.03 0.37 0.17 0.29 -0.01 -0.18 -0.19 0.07 -0.16 -0.07 -0.23 0.42 -0.23 0.07 0.07 0.21 0.23 -0.12 0.32 -0.01 -0.01 0.03 -0.01 0.01 -0.03 0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.02 -0.02 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.06 -0.02 -0.04 0.03 0.00 0.05 0.03 0.06 0.01 0.04 0.02 -0.09 -0.04 -0.10 0.05 0.03 -0.01 0.06 -0.03 0.01 -0.05 0.04 -0.04 0.09 -0.08 0.04 -0.02 0.01 -0.01 -0.03 0.00 -0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.12 -0.05 -0.09 -0.03 0.06 0.14 -0.04 0.01 -0.05 0.01 -0.03 -0.05 0.08 0.05 0.07 0.14 0.11 -0.10 -0.02 -0.02 -0.08 -0.10 -0.02 -0.12 0.05 -0.07 0.05 0.02 -0.02 0.08 0.06 0.01 0.07 0.20 0.17 -0.13 -0.05 -0.12 0.18 -0.05 0.09 -0.15 0.32 0.35 0.26 -0.22 -0.01 -0.22 0.05 0.04 -0.12 0.12 -0.15 0.05 -0.09 0.21 -0.25 -0.00 -0.03 0.06 -0.02 0.03 -0.09 0.01 -0.02 -0.00 0.02 0.02 0.01 -0.00 -0.04 -0.02 -0.00 0.04 -0.05 0.02 0.01 0.00 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.03 0.02 0.01 -0.00 -0.03 -0.01 -0.06 -0.02 -0.06 -0.01 0.05 0.08 0.04 -0.01 -0.07 -0.03 0.01 0.06 0.02 0.04 -0.01 0.05 -0.01 0.06 -0.03 -0.06 -0.07 -0.00 0.00 -0.05 0.04 -0.01 -0.01 0.01 0.00 -0.02 0.01 -0.03 0.01 -0.02 0.01 0.00 -0.01 0.00 -0.00 -0.02 0.05 0.02 -0.01 -0.02 -0.01 0.04 0.03 0.01 -0.02 -0.02 -0.00 -0.03 -0.02 -0.01 0.08 0.16 -0.12 0.02 -0.01 0.02 0.13 0.15 0.13 -0.02 0.06 0.04 -0.01 0.03 -0.16 -0.14 -0.14 0.12 0.02 -0.02 -0.01 -0.05 -0.10 0.08 0.05 -0.10 0.03 0.02 -0.02 0.11 0.23 0.23 -0.05 0.15 0.27 -0.02 -0.29 -0.20 0.43 -0.09 -0.10 -0.01 -0.13 -0.10 -0.04 0.09 0.07 0.15 -0.04 -0.03 0.07 -0.11 0.12 -0.07 0.02 -0.11 0.12 -0.01 -0.02 0.07 0.00 -0.01 -0.06 0.01 -0.03 -0.01 0.03 0.04 0.02 -0.00 -0.05 -0.02 -0.02 0.06 -0.01 0.07 0.03 0.01 0.07 0.03 0.01 -0.03 -0.02 -0.01 -0.02 -0.03 -0.01 0.00 0.04 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.03 0.01 0.01 0.01 -0.06 0.01 -0.06 0.02 0.02 0.01 -0.02 -0.01 -0.01 0.08 0.07 -0.02 -0.04 -0.08 0.07 -0.01 -0.02 -0.01 -0.01 0.03 0.02 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.03 -0.06 -0.02 0.02 0.02 0.01 -0.06 -0.03 -0.01 0.02 0.02 0.01 0.04 0.03 0.01 -0.01 0.01 -0.03 0.01 0.03 0.03 -0.01 0.00 -0.01 -0.01 -0.02 -0.05 -0.01 -0.02 -0.01 0.00 0.03 -0.01 -0.01 0.01 0.02 -0.20 0.02 -0.23 -0.04 -0.01 -0.05 0.02 -0.03 0.10 0.03 0.01 0.03 0.06 0.07 -0.03 -0.05 -0.06 0.10 -0.14 -0.14 0.03 -0.20 -0.09 0.03 0.27 0.24 0.40 0.09 0.11 -0.17 0.32 -0.31 0.31 0.06 0.16 -0.12 -0.02 -0.01 -0.01 -0.07 0.07 -0.02 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.05 -0.06 -0.04 -0.09 -0.04 -0.00 -0.09 -0.03 -0.01 0.04 0.03 0.01 0.05 0.07 0.02 -0.00 -0.09 -0.03 -0.01 -0.04 0.05 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.01 -0.05 -0.01 -0.04 -0.06 -0.04 -0.05 0.06 0.05 -0.01 0.06 0.04 0.00 -0.03 -0.05 0.05 0.03 0.05 0.03 0.02 -0.06 -0.05 -0.05 -0.02 0.00 0.02 0.03 0.01 -0.08 0.13 0.05 -0.04 -0.05 -0.02 0.15 0.07 0.02 -0.05 -0.05 -0.01 -0.09 -0.06 -0.02 -0.02 -0.09 0.11 -0.00 0.01 0.02 0.02 0.02 -0.01 -0.03 -0.03 0.00 -0.01 -0.00 -0.01 0.02 0.03 0.00 0.02 0.02 -0.02 -0.15 -0.00 -0.16 0.09 0.03 0.12 -0.07 0.09 -0.27 -0.05 -0.04 -0.05 -0.06 -0.10 -0.00 0.14 0.13 -0.23 -0.09 -0.07 0.01 -0.08 -0.01 0.06 0.15 0.16 0.23 0.06 0.08 -0.12 0.22 -0.22 0.21 0.04 0.11 -0.09 0.05 0.04 0.03 0.16 -0.17 0.07 -0.00 0.07 0.02 -0.02 -0.00 -0.00 0.00 0.07 0.03 -0.12 0.13 0.10 0.22 0.09 0.01 0.22 0.08 0.03 -0.10 -0.07 -0.02 0.08 -0.35 -0.14 0.02 0.13 0.05 -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 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.02 -0.01 -0.05 -0.03 -0.01 -0.02 0.07 0.03 -0.02 -0.06 -0.02 0.12 0.06 0.02 -0.11 0.43 0.16 0.01 -0.14 -0.05 -0.12 -0.07 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 0.02 -0.04 -0.00 -0.00 -0.01 -0.02 -0.02 0.01 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 0.01 0.00 0.01 0.05 -0.05 0.00 0.05 -0.09 -0.02 0.17 0.25 0.08 0.05 -0.08 -0.05 -0.19 -0.01 0.01 0.21 0.30 0.17 0.21 0.35 0.05 -0.19 0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.05 0.12 -0.05 -0.04 -0.00 -0.09 0.03 -0.04 0.07 -0.02 0.04 -0.06 -0.05 -0.02 -0.03 0.01 0.04 0.04 -0.02 -0.10 0.10 0.04 0.00 0.05 0.01 -0.02 0.01 0.02 -0.05 -0.03 0.03 -0.01 0.01 -0.01 0.01 -0.00 -0.02 0.01 0.00 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.03 0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.16 0.34 -0.23 -0.16 -0.24 -0.16 0.06 0.02 -0.00 -0.07 0.02 0.19 -0.02 0.06 -0.10 -0.00 -0.05 0.07 0.17 0.08 -0.18 -0.14 -0.09 -0.04 -0.07 0.07 -0.02 0.09 -0.07 0.12 0.01 0.12 -0.15 -0.34 -0.16 0.31 -0.18 0.06 0.03 -0.03 0.03 -0.05 0.12 0.15 0.13 -0.04 0.05 -0.02 0.01 -0.01 0.00 0.02 -0.03 0.03 0.01 -0.02 0.02 0.06 -0.05 -0.07 0.02 0.03 -0.10 0.01 -0.05 -0.01 0.04 0.06 0.02 0.01 -0.04 -0.02 -0.01 0.02 -0.01 0.05 0.01 -0.00 0.05 0.01 0.00 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.04 -0.00 -0.00 0.03 -0.02 -0.01 0.01 0.04 -0.01 -0.03 -0.01 0.00 0.03 -0.03 -0.02 0.02 0.00 -0.01 0.02 -0.01 0.02 0.00 -0.01 -0.01 -0.02 0.05 -0.02 -0.03 0.02 -0.06 0.00 -0.00 0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.00 0.00 -0.04 -0.01 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.08 0.03 0.09 -0.05 -0.09 -0.06 0.05 0.03 0.08 -0.01 0.04 0.06 -0.01 0.02 -0.11 -0.02 -0.04 0.05 0.11 0.06 -0.07 -0.09 -0.09 0.03 0.08 -0.14 -0.02 -0.04 0.03 -0.03 0.04 0.05 -0.06 -0.04 -0.01 0.03 -0.01 0.03 -0.02 -0.03 0.00 -0.04 0.06 0.08 0.07 -0.03 0.02 -0.02 -0.03 0.02 -0.01 -0.01 0.02 0.01 0.01 -0.03 0.04 -0.05 -0.13 0.57 0.00 -0.23 0.63 0.02 0.03 0.03 0.00 -0.02 0.04 -0.03 -0.05 0.00 0.03 -0.04 0.07 -0.07 -0.02 0.00 -0.06 -0.02 -0.00 0.02 0.02 0.00 -0.00 0.02 -0.05 -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 -0.01 0.02 0.01 -0.07 0.19 -0.01 0.04 -0.11 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 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.14 0.67 -0.04 -0.17 -0.49 -0.45 0.00 -0.03 0.08 -0.02 0.01 0.00 0.00 0.00 -0.00 0.02 0.05 -0.04 0.08 -0.00 -0.02 -0.06 0.03 0.04 -0.02 -0.07 0.02 0.05 0.01 -0.01 -0.03 0.05 0.06 -0.04 -0.03 0.03 -0.03 0.02 -0.03 -0.01 0.01 0.01 0.02 -0.06 -0.09 0.04 0.01 -0.03 0.00 -0.00 0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 0.05 0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.13 0.04 -0.26 0.01 0.15 0.14 -0.07 -0.01 -0.18 -0.01 -0.10 -0.09 0.06 -0.00 0.19 0.06 0.09 -0.08 -0.22 -0.13 0.11 0.17 0.18 -0.08 -0.09 0.10 0.03 0.07 -0.03 0.06 -0.03 -0.03 0.04 -0.02 -0.00 0.03 -0.05 -0.05 0.07 0.07 0.01 0.07 -0.09 -0.13 -0.12 0.05 -0.05 0.02 0.05 -0.04 0.00 0.04 -0.05 -0.00 -0.03 0.07 -0.09 0.13 -0.27 0.39 0.05 -0.13 0.38 0.04 -0.02 0.02 0.04 0.05 0.06 -0.01 -0.10 -0.03 -0.01 -0.01 0.04 0.07 0.02 -0.00 0.07 0.01 0.00 -0.02 -0.02 -0.00 -0.12 -0.00 0.00 0.01 0.07 0.02 0.02 0.01 -0.00 -0.03 -0.02 -0.00 0.01 -0.01 -0.02 0.01 0.02 0.00 -0.01 -0.00 0.01 0.04 -0.01 -0.00 -0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.01 -0.00 -0.05 0.12 0.04 0.05 -0.04 -0.01 0.11 -0.05 -0.03 -0.01 -0.09 -0.04 -0.04 0.03 0.01 0.17 0.03 0.00 -0.02 -0.05 -0.02 -0.07 -0.04 -0.01 0.06 0.01 0.05 -0.01 -0.04 -0.02 -0.02 -0.03 0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.04 0.00 -0.00 0.01 0.04 0.03 -0.01 -0.02 -0.03 0.02 -0.03 -0.00 -0.06 0.10 -0.10 0.08 0.01 -0.02 0.06 0.07 0.05 -0.04 -0.02 -0.06 0.08 -0.01 -0.00 -0.01 0.02 0.02 0.02 -0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.03 0.07 -0.11 0.13 0.11 -0.06 0.37 0.08 -0.31 -0.45 -0.14 -0.07 0.31 0.18 -0.02 -0.10 -0.03 0.26 0.07 -0.01 0.26 0.05 0.02 -0.08 -0.05 -0.01 0.03 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 -0.08 0.11 0.15 -0.09 0.02 0.02 0.23 -0.13 -0.12 -0.10 -0.06 0.03 -0.09 0.03 -0.09 0.04 -0.06 0.01 -0.01 0.05 0.04 0.03 0.07 -0.02 0.04 -0.02 0.08 0.00 -0.03 0.01 0.02 -0.01 -0.01 -0.00 0.04 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.04 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.06 -0.21 0.05 0.16 0.11 -0.16 0.10 0.06 0.02 0.06 0.12 0.26 -0.10 -0.05 0.18 -0.24 -0.23 -0.08 0.03 0.03 -0.11 -0.10 0.03 -0.16 0.11 -0.06 0.11 0.02 0.00 -0.11 -0.07 -0.14 0.16 0.16 0.05 -0.15 0.04 -0.10 0.05 0.02 0.03 0.02 0.03 0.04 0.04 0.06 0.07 0.07 0.06 -0.19 0.18 -0.10 0.05 -0.11 -0.03 -0.13 0.07 -0.06 0.06 0.09 0.00 0.01 -0.03 -0.02 0.12 0.03 -0.09 -0.13 -0.04 -0.02 0.10 0.06 -0.03 0.01 0.00 -0.05 -0.01 0.00 -0.05 -0.01 -0.00 0.01 0.01 0.00 0.12 -0.01 -0.01 -0.00 -0.05 -0.02 -0.01 0.06 -0.01 0.01 -0.03 -0.02 -0.03 -0.01 -0.00 -0.00 0.00 0.02 0.05 -0.01 0.01 0.03 -0.05 -0.01 -0.00 -0.04 0.00 -0.03 0.00 -0.01 -0.03 0.01 0.01 -0.01 0.03 0.02 -0.03 0.05 0.02 -0.04 -0.04 -0.02 0.10 -0.02 -0.00 -0.08 0.04 0.02 0.00 -0.03 -0.01 -0.12 0.01 0.01 0.01 0.02 0.01 0.03 0.02 0.01 0.10 0.18 -0.03 -0.12 -0.08 0.05 0.10 0.13 -0.11 -0.13 -0.15 -0.03 0.14 0.13 0.02 0.18 0.16 0.03 -0.14 -0.13 0.02 0.16 0.13 -0.05 0.07 -0.03 0.03 0.13 -0.12 -0.03 0.06 0.09 -0.06 -0.06 0.02 0.08 -0.11 -0.02 0.09 0.07 0.03 0.05 -0.03 -0.06 -0.08 0.00 -0.06 -0.04 0.04 0.02 -0.05 0.07 -0.08 0.04 -0.02 0.10 -0.10 0.05 0.02 -0.02 0.07 0.01 -0.01 -0.07 0.29 0.05 -0.22 -0.30 -0.12 -0.03 0.30 0.16 -0.19 0.06 0.04 -0.14 -0.02 0.01 -0.14 -0.01 -0.01 0.03 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.02 -0.00 0.05 -0.13 0.00 -0.05 0.15 0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.02 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.02 -0.03 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.04 0.15 -0.01 -0.03 0.07 -0.30 -0.46 -0.32 -0.00 0.14 -0.30 0.29 0.53 0.01 0.03 -0.07 0.16 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.10 -0.10 0.10 0.18 0.18 -0.01 -0.11 -0.11 -0.09 0.02 0.01 -0.01 0.01 0.01 -0.02 0.03 0.01 0.03 0.01 0.02 -0.03 0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -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 0.02 0.05 0.01 -0.25 -0.24 0.12 -0.21 -0.21 0.10 0.23 0.22 -0.02 0.32 0.30 0.01 -0.22 -0.21 -0.10 -0.26 -0.26 -0.09 0.04 0.06 -0.06 0.01 -0.03 -0.03 -0.01 -0.02 0.04 -0.04 -0.01 -0.04 -0.09 -0.08 0.06 0.05 0.08 -0.10 -0.03 -0.05 0.01 -0.08 -0.06 -0.03 0.08 0.05 0.09 0.02 -0.04 0.02 -0.02 -0.01 -0.04 -0.02 0.00 -0.02 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.00 0.03 0.01 -0.02 -0.03 -0.01 -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 0.07 -0.00 -0.00 -0.00 -0.03 -0.01 0.07 0.00 -0.03 -0.03 -0.01 0.04 0.01 0.01 -0.05 0.05 0.03 -0.00 -0.04 0.02 0.03 -0.04 0.05 0.04 -0.05 0.03 0.03 0.02 -0.02 -0.01 0.02 -0.01 -0.02 0.02 -0.05 -0.06 0.03 0.03 0.02 -0.02 -0.02 -0.02 0.04 -0.00 0.01 -0.06 0.03 0.02 -0.01 -0.02 -0.01 -0.06 0.01 0.01 0.00 0.01 0.00 0.01 0.01 0.00 -0.10 -0.12 -0.10 0.10 0.10 0.02 -0.24 -0.26 0.06 0.13 0.12 -0.06 -0.20 -0.20 -0.04 -0.17 -0.14 -0.03 0.15 0.16 0.02 -0.17 -0.17 0.12 -0.21 0.23 -0.02 0.08 -0.05 0.06 -0.13 -0.18 0.18 0.10 -0.01 -0.11 0.10 -0.05 -0.03 -0.10 -0.06 -0.07 0.00 0.05 0.08 -0.00 0.07 0.05 -0.06 0.04 0.02 -0.06 0.08 -0.02 0.03 -0.09 0.11 0.17 -0.18 0.07 0.07 0.00 0.02 -0.04 0.10 0.01 -0.09 -0.11 -0.06 0.01 0.17 0.07 -0.14 0.05 0.05 -0.06 -0.01 0.01 -0.06 -0.00 -0.00 0.01 0.01 0.00 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.11 -0.05 0.11 0.02 -0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.03 0.02 -0.06 0.00 -0.09 0.02 0.13 -0.04 0.09 -0.02 -0.05 0.01 0.01 0.05 0.05 -0.01 0.02 0.04 -0.13 0.00 0.01 0.04 -0.00 -0.01 0.01 0.00 0.03 -0.02 -0.01 -0.04 -0.01 -0.00 -0.03 -0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.01 -0.15 0.18 0.24 0.04 0.01 0.02 -0.05 0.16 0.13 -0.04 0.01 -0.01 0.07 -0.03 0.01 -0.05 0.12 0.14 0.06 -0.09 0.04 -0.16 0.08 -0.21 -0.15 -0.19 0.11 0.25 0.16 0.23 -0.26 -0.12 0.02 0.13 -0.08 0.10 -0.04 0.10 0.10 0.03 0.11 0.07 0.03 -0.04 -0.03 -0.06 0.03 -0.11 0.11 -0.07 0.03 -0.08 -0.01 -0.10 0.06 0.01 -0.08 -0.10 -0.14 0.07 0.11 -0.03 0.09 0.01 -0.09 -0.13 -0.05 -0.02 0.09 0.05 -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.08 -0.00 -0.09 0.06 0.05 0.02 -0.01 0.01 0.03 0.03 0.02 -0.05 0.03 0.02 0.12 0.06 -0.01 0.00 0.05 -0.00 0.05 0.01 -0.02 -0.07 -0.04 0.01 -0.04 0.01 -0.01 0.03 -0.01 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.29 -0.05 -0.32 -0.01 0.02 0.06 -0.06 -0.03 -0.02 -0.07 -0.08 0.01 -0.18 -0.19 0.07 -0.11 -0.12 -0.04 -0.06 -0.05 -0.03 -0.01 -0.14 0.26 0.24 -0.29 0.03 -0.05 0.04 0.04 -0.08 0.00 -0.15 -0.22 -0.18 0.15 0.04 0.16 -0.19 -0.18 -0.16 -0.07 -0.14 -0.06 0.01 0.06 0.09 0.12 -0.07 0.12 -0.09 0.02 0.03 0.06 0.03 0.04 0.01 -0.10 0.07 -0.03 -0.09 0.03 0.03 -0.02 0.04 0.00 -0.04 -0.07 -0.02 -0.01 0.03 0.02 0.06 -0.03 -0.02 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.12 -0.00 0.00 -0.03 -0.04 -0.01 -0.03 0.08 -0.03 0.04 -0.05 0.04 -0.04 0.04 -0.05 0.04 -0.02 0.04 -0.07 0.01 -0.04 0.02 -0.08 -0.04 0.01 -0.02 0.02 0.01 0.01 0.03 0.05 -0.01 0.00 -0.02 0.07 0.06 -0.04 0.02 0.00 0.01 -0.05 -0.02 -0.01 0.03 0.01 0.00 0.05 0.02 0.23 0.01 -0.01 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.10 -0.25 0.02 0.13 0.17 -0.18 -0.13 -0.12 0.10 0.03 -0.16 -0.06 -0.11 0.09 -0.04 0.01 -0.09 0.06 0.11 0.12 -0.15 -0.02 -0.09 0.18 -0.13 0.07 0.25 -0.25 -0.03 -0.01 0.02 -0.05 -0.10 -0.04 0.09 -0.05 0.03 0.00 0.04 0.05 0.01 0.05 0.05 0.03 -0.02 -0.00 -0.02 -0.01 -0.07 0.09 -0.08 0.07 -0.08 0.00 -0.11 0.08 0.03 0.07 -0.01 0.04 -0.02 0.00 0.01 -0.02 0.00 0.07 0.10 0.03 0.01 -0.01 -0.01 -0.43 0.17 0.09 -0.11 0.01 -0.00 -0.11 0.00 0.02 0.01 0.00 0.00 -0.08 -0.00 0.00 -0.03 -0.05 -0.02 0.00 -0.07 0.07 -0.03 0.04 -0.06 0.03 -0.03 0.08 -0.04 0.02 -0.06 0.07 0.01 0.08 -0.00 0.09 0.01 0.01 0.00 -0.04 0.00 -0.02 -0.05 -0.06 0.00 -0.01 0.02 -0.08 -0.04 0.01 0.05 0.02 0.01 -0.05 -0.02 0.01 0.01 0.01 -0.04 0.04 0.02 0.20 0.00 -0.01 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.09 0.18 0.01 -0.06 -0.15 0.14 0.10 0.08 -0.06 -0.00 0.16 0.01 0.06 -0.04 -0.01 -0.06 0.06 -0.05 -0.10 -0.14 0.14 -0.01 0.17 -0.12 0.06 -0.10 -0.20 0.18 0.11 0.07 0.05 -0.01 0.07 0.07 -0.04 -0.00 -0.02 0.03 -0.11 -0.10 -0.05 -0.08 -0.05 -0.01 0.03 0.03 0.04 -0.01 0.11 -0.12 0.08 -0.06 0.10 0.02 0.12 -0.07 0.05 -0.09 -0.02 -0.16 0.12 0.06 0.01 0.03 0.01 0.01 0.02 0.01 0.01 0.03 0.01 -0.54 0.19 0.10 -0.11 0.01 0.00 -0.11 0.00 0.02 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.07 0.16 0.03 -0.09 -0.10 -0.04 0.04 0.08 0.03 -0.03 -0.08 -0.00 0.06 0.10 -0.04 -0.01 -0.07 -0.01 -0.05 -0.08 0.03 -0.04 -0.05 -0.01 -0.02 -0.03 -0.02 0.04 0.04 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.12 0.14 0.09 0.18 0.03 -0.11 -0.13 -0.20 0.13 0.07 -0.03 -0.04 -0.05 0.17 -0.12 -0.12 -0.13 0.03 0.08 -0.00 0.00 -0.03 0.21 -0.00 0.05 0.00 0.23 -0.25 0.01 0.22 0.18 -0.04 0.09 0.22 0.01 -0.19 -0.11 0.23 -0.20 -0.14 -0.14 -0.07 0.03 0.09 -0.00 0.11 0.07 -0.09 0.13 -0.07 0.01 0.05 0.08 0.08 -0.02 0.09 0.08 0.01 -0.01 0.17 -0.10 -0.02 0.01 -0.03 -0.01 0.02 0.04 0.01 0.01 -0.02 -0.02 0.15 -0.04 -0.02 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 -0.03 0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.05 -0.01 0.06 0.06 0.17 -0.05 0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.11 0.03 -0.03 -0.11 -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 -0.03 -0.01 -0.06 0.02 0.02 0.01 -0.00 0.01 0.02 0.00 0.02 0.00 0.02 0.02 -0.01 -0.15 -0.13 0.09 -0.03 -0.02 0.04 0.20 0.41 -0.19 0.02 -0.03 0.01 -0.01 0.02 -0.01 -0.04 -0.03 0.01 -0.02 -0.04 0.00 0.03 0.02 -0.03 -0.12 0.05 -0.26 0.23 0.22 0.17 -0.25 -0.00 -0.21 -0.10 0.24 -0.20 0.15 -0.04 0.27 0.24 -0.02 0.19 -0.01 0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.00 0.05 -0.04 0.00 -0.09 0.06 0.01 0.12 -0.06 -0.05 -0.00 -0.00 -0.03 0.01 -0.01 -0.01 -0.04 0.02 0.02 -0.06 0.03 0.05 -0.02 0.03 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.21 -0.07 -0.15 0.20 0.19 -0.03 -0.16 -0.18 0.06 0.15 0.21 0.12 -0.18 -0.14 -0.13 -0.15 -0.18 0.23 0.16 0.04 -0.17 0.18 -0.08 0.04 0.01 0.00 -0.02 0.23 -0.25 0.10 0.02 0.03 -0.04 -0.02 0.01 0.03 -0.03 0.01 0.01 0.11 0.07 0.08 0.04 -0.06 -0.11 0.00 -0.12 -0.07 0.13 -0.02 -0.09 0.10 -0.18 0.03 -0.07 0.20 -0.20 0.10 -0.02 -0.01 0.15 -0.08 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 0.07 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.06 0.06 0.02 0.02 -0.03 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.01 0.03 -0.01 -0.02 -0.04 -0.01 -0.01 -0.05 0.00 -0.01 -0.01 0.00 0.01 -0.02 0.01 0.01 0.04 -0.03 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -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 0.19 0.25 -0.07 0.00 0.02 0.03 -0.18 -0.18 -0.09 0.05 0.04 -0.02 -0.09 -0.10 0.02 -0.11 -0.11 0.04 0.07 0.04 -0.02 0.02 -0.06 0.02 0.37 -0.30 0.21 -0.33 0.31 -0.18 -0.00 -0.05 0.14 0.08 0.08 -0.06 -0.01 -0.09 0.09 0.03 0.02 0.02 0.02 -0.01 -0.03 -0.00 -0.04 -0.02 0.04 -0.01 -0.02 0.02 -0.05 0.00 -0.02 0.05 -0.05 -0.18 0.09 -0.01 -0.31 0.13 0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.10 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.00 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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.70 -0.11 -0.05 -0.69 0.08 0.10 0.00 -0.01 0.01 -0.06 -0.02 -0.00 -0.02 0.02 0.01 0.02 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 -0.02 0.02 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.03 -0.01 0.00 -0.10 -0.04 -0.15 0.21 0.09 0.05 -0.07 -0.03 -0.04 -0.01 -0.00 0.17 0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.08 0.10 -0.05 0.02 0.03 0.00 -0.00 -0.01 -0.01 0.03 0.03 -0.00 0.03 0.03 -0.00 0.01 0.01 -0.00 0.03 0.03 -0.00 0.02 0.00 0.02 0.07 -0.07 0.05 -0.13 0.13 -0.05 -0.01 -0.02 0.05 0.03 0.01 -0.03 0.02 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.14 -0.07 -0.04 0.40 -0.28 -0.13 -0.13 0.15 -0.03 -0.19 -0.30 -0.10 -0.12 0.09 0.14 0.48 -0.14 -0.08 -0.13 0.02 0.01 -0.12 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.03 -0.05 -0.02 0.03 -0.04 -0.06 0.00 -0.04 -0.03 -0.03 -0.03 -0.01 0.04 -0.01 0.01 -0.01 -0.02 0.03 0.03 0.03 -0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.01 -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 0.08 0.19 -0.25 0.28 0.27 -0.02 0.12 0.13 0.04 0.23 0.24 0.03 0.31 0.30 -0.05 0.23 0.20 -0.01 0.23 0.21 -0.04 0.20 0.11 0.13 0.15 -0.13 0.06 0.05 -0.07 0.04 -0.09 -0.08 0.07 0.03 -0.05 -0.06 0.09 0.00 -0.05 -0.08 -0.08 -0.03 -0.06 0.01 0.05 0.04 0.07 0.07 -0.02 0.02 -0.00 -0.03 0.02 -0.02 -0.01 0.01 -0.02 0.05 -0.01 -0.02 -0.03 0.01 0.02 0.01 -0.01 0.00 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.02 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 0.06 -0.02 0.05 -0.03 0.07 -0.02 0.07 -0.04 0.01 0.01 0.02 0.00 -0.03 0.00 0.02 -0.05 0.06 -0.04 -0.03 0.01 -0.02 0.00 0.00 0.00 0.03 -0.01 -0.03 -0.01 -0.01 0.03 -0.02 0.01 -0.00 0.00 -0.02 -0.01 -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 -0.16 -0.03 -0.26 0.01 -0.05 -0.13 -0.16 -0.21 0.14 -0.24 -0.18 0.14 -0.02 0.01 -0.14 0.20 0.17 0.03 -0.30 -0.28 -0.01 -0.11 0.12 -0.19 0.31 -0.27 0.11 0.14 -0.16 0.10 0.01 -0.03 0.09 0.05 0.04 -0.05 0.02 -0.07 0.06 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 0.02 0.00 -0.07 -0.00 0.05 -0.02 0.08 0.01 0.02 -0.08 0.07 0.13 -0.06 -0.05 0.09 -0.05 0.01 0.01 -0.01 0.00 0.01 0.02 0.00 0.01 -0.00 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.08 -0.01 -0.01 -0.03 -0.01 -0.04 0.05 0.02 0.05 0.00 -0.00 0.04 0.02 -0.03 -0.02 0.07 -0.01 -0.02 0.04 0.01 -0.02 0.01 0.02 -0.02 0.00 0.01 -0.03 -0.01 0.01 -0.04 0.02 0.01 0.01 -0.04 -0.02 -0.01 0.02 0.01 0.02 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.23 0.21 -0.11 -0.10 -0.08 0.03 0.30 0.30 -0.03 -0.04 -0.09 -0.10 0.02 0.01 0.11 -0.30 -0.27 -0.06 -0.02 0.00 0.06 -0.19 -0.25 0.05 0.20 -0.22 0.04 0.10 -0.10 0.13 -0.06 -0.05 0.06 0.05 -0.05 -0.09 0.12 -0.02 -0.04 0.03 0.05 0.01 0.05 -0.02 -0.06 -0.02 -0.07 -0.06 0.05 -0.02 -0.03 0.04 -0.05 0.02 0.01 0.04 -0.01 0.30 -0.15 -0.08 0.17 -0.08 -0.02 0.02 -0.02 0.01 0.00 0.02 0.01 0.02 -0.01 -0.02 0.05 -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 0.04 0.02 -0.01 0.03 0.03 0.01 -0.01 0.02 -0.03 -0.03 -0.02 0.02 -0.05 -0.02 -0.03 -0.01 0.04 0.00 0.01 -0.02 -0.02 0.03 -0.02 -0.02 -0.00 0.02 0.02 -0.01 -0.01 0.01 -0.04 0.01 0.00 0.00 -0.03 -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 -0.12 -0.27 0.18 -0.32 -0.33 0.03 -0.02 -0.01 0.00 -0.00 -0.02 -0.08 -0.06 -0.06 0.03 0.03 0.05 0.00 0.23 0.20 0.00 0.43 0.14 0.28 0.18 -0.17 0.06 -0.04 0.05 0.03 0.04 -0.00 0.02 -0.05 0.01 0.05 -0.05 -0.04 0.08 -0.02 -0.04 -0.04 0.01 0.07 0.09 0.03 0.09 0.08 0.04 -0.03 0.02 0.00 -0.05 -0.04 -0.05 0.01 -0.04 0.29 -0.14 -0.07 0.08 -0.05 -0.02 0.02 -0.02 0.00 -0.01 0.01 0.00 0.02 -0.01 -0.02 0.05 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.03 0.02 -0.04 0.01 0.01 -0.01 0.00 -0.04 0.03 -0.01 0.01 0.01 0.04 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.01 0.02 0.00 -0.05 -0.02 -0.00 0.01 -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 0.10 -0.01 0.15 -0.06 -0.02 0.09 0.12 0.13 -0.09 0.36 0.36 0.01 -0.32 -0.31 -0.02 0.25 0.21 0.09 -0.15 -0.17 -0.08 -0.17 0.07 -0.23 0.04 -0.03 0.02 -0.09 0.07 0.02 -0.00 0.00 -0.01 -0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.04 -0.04 -0.02 -0.01 -0.01 -0.03 -0.05 0.07 -0.03 -0.07 0.07 -0.03 0.03 -0.02 0.01 0.34 -0.13 -0.06 -0.10 0.00 0.00 0.01 -0.02 -0.00 -0.03 -0.01 -0.00 0.01 -0.01 -0.01 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 -0.01 -0.00 -0.01 -0.03 0.01 0.02 -0.02 -0.00 0.02 0.02 -0.01 -0.03 0.01 0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.02 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.07 -0.08 -0.02 0.05 0.10 0.03 -0.01 -0.06 -0.02 -0.01 0.00 0.00 0.01 0.02 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 0.13 0.18 -0.10 -0.08 -0.09 0.02 0.04 0.06 -0.07 0.09 0.11 0.01 -0.21 -0.24 0.03 0.09 0.09 0.05 -0.01 -0.02 -0.04 0.12 0.12 -0.01 0.02 -0.06 -0.02 -0.07 0.05 -0.00 -0.01 -0.01 0.03 0.03 -0.01 -0.04 0.06 -0.01 -0.03 -0.00 -0.02 -0.00 -0.01 0.02 0.03 0.01 0.03 0.03 -0.01 0.01 0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 -0.52 0.12 0.06 0.58 -0.13 -0.08 0.02 0.04 0.03 0.09 0.09 0.03 0.01 0.05 -0.00 0.11 -0.00 -0.01 -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 -0.07 0.02 -0.03 0.02 0.01 -0.01 0.02 -0.02 0.01 0.01 0.01 0.00 -0.01 -0.02 0.01 0.06 -0.01 0.03 0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.01 -0.01 -0.07 0.03 0.02 -0.00 -0.06 -0.02 -0.01 0.02 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 0.24 0.18 0.19 0.23 0.25 -0.01 -0.30 -0.31 -0.00 -0.15 -0.15 0.04 0.11 0.12 -0.06 -0.06 -0.07 0.00 -0.00 0.00 0.01 0.03 0.09 -0.08 -0.05 -0.03 -0.08 -0.26 0.29 -0.09 -0.03 0.01 -0.06 0.02 0.02 0.02 -0.04 0.07 -0.06 -0.00 -0.01 0.02 -0.01 -0.00 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.02 0.01 0.01 0.01 -0.00 -0.02 0.02 0.35 -0.19 -0.09 0.24 -0.10 -0.06 0.04 -0.01 0.03 0.01 0.03 0.01 0.04 0.01 -0.03 0.12 -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 -0.05 -0.06 0.04 0.00 -0.02 -0.02 0.06 0.04 0.01 -0.00 0.02 0.02 -0.08 -0.02 -0.05 0.02 -0.02 -0.00 -0.02 0.02 0.02 0.03 -0.02 -0.01 0.00 0.03 0.01 0.03 0.04 0.01 -0.01 -0.04 -0.01 0.01 0.03 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 0.21 0.38 -0.24 0.03 0.08 0.03 0.03 0.00 -0.01 -0.11 -0.12 0.01 -0.28 -0.25 -0.02 0.00 0.01 0.03 -0.13 -0.14 -0.02 0.40 0.15 0.24 -0.17 0.14 -0.10 0.08 -0.06 0.00 -0.03 0.03 -0.02 0.10 -0.01 -0.10 0.11 0.02 -0.11 0.02 -0.01 -0.03 0.01 0.08 0.10 0.01 0.11 0.08 0.03 -0.10 0.08 0.06 -0.06 -0.00 -0.05 -0.05 0.03 0.13 -0.01 -0.00 -0.24 0.06 0.03 -0.01 -0.02 -0.02 -0.04 -0.04 -0.01 -0.01 -0.03 0.00 -0.06 0.00 0.01 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 0.01 0.03 -0.01 -0.01 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.03 -0.00 -0.01 0.10 -0.10 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.03 0.02 -0.03 0.01 0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.06 0.01 0.09 0.08 -0.01 -0.02 -0.02 0.01 0.09 0.10 0.05 0.02 0.02 -0.05 0.25 0.25 -0.07 -0.27 -0.25 0.03 -0.09 -0.48 0.53 0.00 0.00 0.00 -0.10 0.10 -0.04 0.01 0.00 -0.00 -0.01 0.02 0.03 -0.03 0.01 0.00 0.04 0.10 -0.09 0.07 0.04 0.02 -0.08 0.08 -0.00 0.11 -0.12 0.02 0.10 -0.12 0.06 0.02 0.04 0.05 0.01 -0.01 -0.01 0.06 -0.02 -0.01 0.01 0.02 0.02 0.02 0.03 0.01 0.01 0.02 -0.01 0.08 -0.01 -0.01 -0.03 -0.00 0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.08 0.00 -0.02 0.01 0.02 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.00 -0.02 -0.06 0.05 0.00 0.03 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.02 -0.03 -0.00 0.04 -0.00 -0.00 0.02 0.07 0.03 0.01 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.05 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.27 -0.08 0.48 0.19 0.18 -0.00 -0.04 -0.03 -0.04 -0.02 -0.02 0.03 -0.03 -0.03 -0.02 -0.02 -0.02 0.01 -0.11 -0.10 0.00 0.09 0.02 0.06 0.19 -0.13 0.14 0.16 -0.17 0.14 -0.06 -0.07 -0.03 -0.08 -0.06 0.04 -0.07 0.03 0.04 0.02 0.01 -0.00 0.01 0.03 0.03 -0.00 0.03 0.02 0.01 -0.06 0.04 0.05 -0.04 0.02 -0.01 -0.03 0.04 -0.14 0.03 0.02 0.16 -0.05 -0.02 -0.06 -0.10 -0.10 -0.11 -0.12 -0.04 -0.05 -0.14 0.02 -0.35 0.07 0.05 0.23 0.01 -0.03 0.23 -0.00 0.00 0.01 0.01 0.00 -0.01 0.03 0.01 -0.00 0.00 0.00 0.01 -0.01 0.05 0.01 0.03 -0.00 -0.01 -0.00 -0.01 -0.02 -0.03 -0.00 0.02 0.02 0.01 0.04 -0.03 0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.02 0.01 0.00 -0.02 -0.00 0.00 0.02 0.04 0.01 0.02 0.03 0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.00 -0.10 -0.03 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.12 0.09 -0.29 -0.14 -0.14 0.00 -0.04 -0.05 0.02 0.01 0.02 -0.01 0.02 0.02 0.01 0.09 0.09 -0.02 0.10 0.09 0.00 -0.11 -0.09 0.00 -0.12 0.04 -0.11 -0.12 0.14 -0.11 0.04 0.04 0.02 0.06 0.04 -0.04 0.05 -0.02 -0.04 -0.01 0.01 -0.01 0.00 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 0.06 -0.04 -0.04 0.03 -0.01 0.01 0.05 -0.05 0.07 -0.03 -0.02 0.20 -0.10 -0.05 -0.06 -0.14 -0.13 -0.15 -0.14 -0.04 -0.05 -0.19 0.01 -0.27 0.07 0.04 0.44 0.02 -0.06 0.45 -0.00 0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.06 -0.06 0.00 0.06 0.05 -0.01 0.02 0.02 -0.02 -0.06 -0.07 0.01 0.04 0.04 0.01 -0.01 0.03 -0.00 0.01 0.02 0.00 -0.01 -0.00 0.01 0.00 -0.03 0.02 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.02 0.03 0.01 0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.03 0.00 0.00 0.06 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.28 0.21 0.10 -0.13 -0.13 0.02 -0.23 -0.25 -0.00 -0.11 -0.10 0.00 -0.03 -0.05 -0.01 0.24 0.24 -0.05 0.24 0.20 0.00 -0.19 -0.19 0.04 -0.02 0.00 -0.02 0.15 -0.14 0.09 -0.06 -0.04 -0.02 -0.01 -0.06 -0.04 0.01 0.01 0.02 -0.00 0.03 -0.02 0.02 -0.02 -0.04 -0.01 -0.02 -0.01 -0.02 0.14 -0.09 -0.12 0.09 -0.02 0.02 0.13 -0.15 -0.01 0.01 0.01 -0.03 0.01 0.01 -0.04 -0.09 -0.08 -0.09 -0.08 -0.03 -0.03 -0.12 0.01 -0.13 0.02 0.01 -0.27 -0.03 0.04 -0.27 -0.00 -0.02 -0.01 -0.01 -0.00 -0.02 0.02 0.01 -0.01 -0.01 -0.00 -0.03 -0.02 -0.01 0.02 0.02 -0.00 0.01 0.01 -0.01 -0.02 -0.03 0.00 0.02 0.02 0.00 -0.02 0.02 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.00 0.01 -0.01 -0.01 -0.04 -0.02 -0.00 -0.04 -0.07 -0.03 -0.01 0.02 0.01 0.05 0.00 -0.00 -0.08 -0.03 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 0.15 0.08 0.10 -0.03 -0.03 0.01 -0.09 -0.10 -0.00 -0.06 -0.06 -0.00 -0.02 -0.03 -0.01 0.09 0.09 -0.02 0.10 0.08 0.00 -0.07 -0.07 0.02 0.01 0.01 0.02 0.10 -0.11 0.08 -0.04 -0.03 -0.01 -0.02 -0.04 -0.01 -0.01 0.00 0.02 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.06 -0.04 -0.05 0.04 -0.01 0.01 0.05 -0.06 0.01 0.01 0.01 -0.16 0.06 0.04 0.14 0.29 0.29 0.28 0.24 0.07 0.12 0.41 -0.04 0.20 -0.04 -0.03 0.33 0.04 -0.05 0.33 0.01 0.03 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.02 -0.00 0.03 0.04 -0.00 -0.04 -0.04 -0.00 0.05 0.01 0.04 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.07 -0.04 -0.06 -0.04 0.03 -0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.05 0.01 0.05 0.06 -0.01 0.07 0.07 -0.00 -0.12 -0.11 -0.00 -0.09 -0.09 0.01 0.11 0.10 0.00 0.19 0.18 -0.00 -0.16 -0.03 -0.13 0.02 -0.03 0.00 -0.00 0.02 -0.03 0.03 0.05 -0.02 0.04 0.03 -0.01 0.02 0.01 -0.05 0.37 0.10 0.20 0.18 0.32 0.12 0.17 0.08 0.35 0.06 -0.25 0.09 0.22 -0.09 0.18 0.12 -0.09 0.28 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 -0.04 -0.05 0.03 0.08 0.06 0.00 -0.07 -0.07 -0.00 0.03 0.04 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.03 0.05 -0.04 -0.02 -0.01 -0.02 -0.02 0.04 -0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.12 0.18 -0.06 -0.23 -0.25 0.03 -0.20 -0.20 -0.02 0.29 0.30 0.00 0.18 0.16 0.01 -0.09 -0.10 0.03 -0.14 -0.11 -0.01 -0.00 0.03 -0.04 -0.07 0.10 -0.03 0.02 -0.06 0.08 -0.10 -0.21 0.12 -0.20 -0.12 0.05 -0.06 -0.07 0.23 0.12 0.02 0.07 0.04 0.11 0.06 0.04 0.04 0.10 0.07 -0.19 0.07 0.17 -0.13 0.06 0.04 -0.13 0.23 -0.01 0.01 0.01 -0.03 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 0.04 0.01 -0.04 -0.04 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.00 -0.07 -0.06 0.08 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.03 0.01 -0.02 -0.03 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.03 0.08 -0.14 -0.14 0.03 -0.11 -0.12 0.01 0.15 0.15 -0.01 0.11 0.09 0.00 -0.03 -0.04 0.02 -0.05 -0.04 0.00 0.00 0.00 -0.01 0.04 -0.06 0.01 0.07 -0.06 0.02 0.15 0.42 -0.28 0.43 0.16 -0.20 0.18 0.11 -0.42 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.03 -0.06 0.02 0.05 -0.05 0.01 0.01 -0.05 0.08 -0.01 0.00 0.00 0.04 -0.02 -0.01 0.06 0.05 0.08 0.04 0.03 0.01 0.05 0.09 -0.03 -0.13 0.02 0.02 -0.04 -0.01 0.01 -0.04 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.02 0.01 0.04 0.03 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.05 -0.05 -0.05 0.04 -0.06 0.06 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 0.02 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 -0.01 0.02 0.00 0.00 0.00 -0.01 -0.02 0.01 0.06 0.05 0.01 0.07 0.07 -0.01 -0.12 -0.07 -0.05 -0.12 -0.16 -0.04 0.02 -0.00 0.03 0.01 0.02 0.02 0.00 -0.02 0.03 0.01 0.04 -0.03 0.04 0.01 -0.02 0.01 0.01 -0.04 0.36 0.12 0.15 0.15 0.31 0.16 0.10 0.16 0.33 -0.10 0.32 -0.11 -0.29 0.18 -0.15 -0.08 0.16 -0.35 -0.03 0.01 0.01 -0.04 0.02 0.01 -0.05 -0.03 -0.06 -0.02 -0.02 -0.00 -0.04 -0.06 0.03 0.09 -0.02 -0.01 0.03 0.01 -0.01 0.03 0.00 0.01 0.00 0.00 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 -0.01 0.01 -0.01 0.04 -0.01 -0.00 0.01 0.02 0.01 -0.06 -0.11 -0.04 0.06 0.08 0.03 -0.03 0.05 0.02 0.06 -0.00 -0.00 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.08 0.00 0.10 -0.03 -0.03 0.01 -0.05 -0.05 -0.01 0.00 0.01 0.01 0.01 -0.00 0.01 0.03 0.02 0.01 0.03 0.04 0.01 -0.01 -0.01 -0.01 0.04 0.04 0.06 0.08 -0.11 0.10 0.02 0.10 -0.09 0.11 0.02 -0.06 0.04 0.03 -0.10 -0.08 -0.02 -0.03 -0.03 -0.07 -0.04 -0.02 -0.03 -0.07 0.03 -0.08 0.02 0.07 -0.05 0.03 0.02 -0.04 0.09 -0.11 0.06 0.03 -0.25 0.13 0.07 -0.26 -0.13 -0.31 -0.11 -0.08 -0.02 -0.23 -0.31 0.17 0.52 -0.09 -0.07 0.14 0.04 -0.03 0.15 0.02 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 -0.01 -0.05 0.01 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 0.00 -0.02 0.11 -0.12 -0.17 -0.10 0.09 -0.19 0.19 -0.17 0.39 -0.20 0.26 0.32 -0.02 -0.01 -0.01 -0.03 -0.07 -0.05 0.05 0.01 -0.07 0.00 -0.01 0.02 -0.00 0.02 0.02 -0.01 0.01 -0.01 0.03 0.21 -0.22 0.11 -0.10 -0.17 0.00 0.13 0.16 -0.15 0.19 0.01 0.11 -0.21 -0.10 -0.27 -0.23 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.03 0.01 -0.01 0.02 0.02 0.00 -0.03 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.04 0.02 -0.05 0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.04 -0.02 0.03 0.03 -0.00 0.00 -0.00 0.04 0.08 0.07 -0.04 -0.03 0.09 -0.00 0.02 -0.03 0.01 -0.04 -0.03 0.02 -0.02 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.07 0.03 0.02 -0.01 0.01 0.01 0.39 -0.20 0.18 -0.32 -0.26 -0.08 0.36 -0.02 -0.30 0.12 -0.04 -0.02 -0.04 0.37 -0.12 -0.01 0.21 0.34 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 0.01 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 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.02 -0.01 0.03 -0.01 -0.00 -0.03 0.01 0.00 0.00 -0.05 -0.02 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 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.02 -0.03 0.00 -0.00 0.00 -0.05 -0.11 -0.09 0.07 0.02 -0.11 0.01 -0.03 0.05 -0.01 0.06 0.04 -0.02 0.03 -0.03 0.00 -0.02 0.02 -0.01 0.01 0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.04 -0.02 -0.02 0.01 -0.01 -0.01 -0.24 0.12 -0.11 0.20 0.16 0.05 -0.22 0.01 0.19 -0.09 0.03 0.01 -0.09 0.55 -0.17 -0.05 0.31 0.50 -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 -0.00 0.00 0.01 0.00 0.00 0.01 0.02 -0.03 -0.04 -0.01 0.01 0.01 -0.02 -0.00 0.02 0.02 0.00 -0.02 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.02 -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 -0.03 -0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.02 -0.08 0.06 0.11 0.06 -0.06 0.12 -0.05 0.06 -0.12 0.07 -0.06 -0.10 0.01 0.00 0.02 0.13 0.28 0.22 -0.24 -0.02 0.30 -0.00 0.11 -0.13 0.00 -0.22 -0.13 0.09 -0.13 0.12 -0.12 0.11 -0.22 0.26 -0.05 -0.24 0.15 -0.06 0.16 -0.25 0.04 0.18 0.13 0.00 0.15 -0.18 -0.08 -0.13 0.04 -0.02 0.01 0.04 -0.03 -0.01 -0.07 0.04 -0.03 0.07 0.06 0.02 -0.07 0.01 0.06 -0.06 0.01 0.01 -0.02 0.06 -0.02 -0.01 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 0.00 -0.01 -0.00 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.03 0.00 -0.00 -0.00 0.01 -0.02 -0.04 -0.01 0.01 0.01 0.02 -0.00 -0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.01 0.11 -0.08 -0.13 -0.08 0.06 -0.16 -0.10 -0.02 0.06 0.03 -0.04 0.06 0.10 -0.11 0.22 -0.11 0.16 0.20 -0.02 -0.01 -0.02 0.11 0.26 0.20 -0.21 -0.02 0.27 0.02 0.10 -0.09 -0.01 -0.18 -0.10 0.10 -0.12 0.09 0.14 -0.03 0.15 -0.25 0.00 0.20 -0.18 0.13 -0.13 0.23 0.01 -0.20 -0.12 -0.05 -0.19 0.12 0.03 0.13 0.04 -0.02 0.01 0.03 -0.02 -0.00 -0.08 0.03 -0.04 0.07 0.05 0.03 -0.08 0.02 0.07 -0.05 0.01 0.01 -0.01 0.04 -0.01 -0.01 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 0.00 -0.01 -0.05 -0.00 -0.00 0.04 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 0.02 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.03 0.01 -0.23 0.25 0.33 0.19 -0.17 0.41 0.16 -0.17 -0.25 -0.14 0.14 -0.28 -0.02 0.03 -0.05 0.04 -0.02 -0.04 -0.01 -0.00 -0.01 0.03 0.03 0.04 -0.06 0.02 0.03 -0.12 0.06 -0.25 0.06 -0.26 -0.20 -0.02 -0.10 0.20 0.03 -0.05 0.07 -0.08 0.02 0.08 -0.04 0.00 -0.06 0.04 0.01 -0.04 -0.01 -0.03 -0.04 0.01 -0.02 0.04 -0.04 0.01 -0.01 0.03 -0.01 -0.01 -0.04 0.03 -0.01 0.02 0.03 -0.02 -0.02 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.03 0.02 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 0.01 0.01 0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.04 0.05 0.05 0.04 -0.02 0.07 -0.11 0.07 0.14 0.08 -0.07 0.15 -0.12 0.11 -0.24 0.18 -0.12 -0.21 -0.05 0.01 -0.07 -0.01 -0.02 -0.01 0.02 0.00 -0.02 -0.02 -0.04 0.01 0.01 0.05 0.02 -0.04 0.04 -0.02 0.22 0.25 -0.12 -0.24 -0.19 0.02 -0.28 0.37 0.00 -0.01 0.18 -0.11 0.08 -0.28 -0.21 -0.20 -0.25 0.10 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 -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 -0.02 0.01 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.04 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 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 0.00 0.00 0.00 0.02 -0.01 0.06 0.04 0.03 -0.00 -0.04 -0.02 -0.01 0.08 -0.08 -0.12 -0.06 0.07 -0.14 -0.04 0.05 -0.09 0.05 -0.06 -0.08 -0.01 -0.00 -0.01 -0.02 -0.03 -0.03 0.04 -0.00 -0.03 0.42 0.26 0.30 -0.30 -0.14 0.12 0.48 -0.31 -0.06 0.02 -0.01 0.03 -0.04 0.00 0.03 -0.03 0.01 -0.03 -0.03 0.02 0.01 0.03 -0.03 -0.00 -0.04 -0.04 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.07 -0.14 -0.03 0.01 -0.09 0.22 -0.06 0.12 0.07 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.02 -0.02 0.00 0.02 -0.02 -0.02 0.02 0.03 0.01 -0.02 0.04 0.00 -0.01 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.04 -0.03 0.02 0.01 -0.05 -0.17 -0.07 -0.16 0.11 -0.03 -0.09 -0.16 0.07 0.08 0.01 0.03 -0.03 0.01 -0.02 -0.02 -0.01 0.02 0.02 0.01 -0.02 0.00 -0.01 0.02 0.01 0.02 0.02 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.20 -0.40 -0.10 0.03 -0.24 0.63 -0.19 0.36 0.20 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 0.01 0.01 0.03 -0.01 0.01 -0.02 -0.03 0.00 -0.02 -0.01 -0.00 0.02 -0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.04 -0.01 -0.01 0.00 0.01 0.00 0.01 0.05 -0.09 -0.11 -0.07 0.05 -0.12 -0.01 0.06 -0.07 0.04 -0.04 -0.05 -0.03 -0.03 0.02 0.10 0.20 0.16 -0.15 -0.04 0.23 -0.00 -0.13 0.16 0.02 0.30 0.16 -0.13 0.19 -0.18 -0.08 -0.26 0.23 0.01 0.18 0.15 0.10 -0.25 -0.12 -0.09 0.19 -0.04 0.10 -0.24 -0.13 -0.23 -0.23 0.02 -0.00 -0.00 0.01 0.02 -0.01 0.00 0.02 -0.05 -0.01 0.01 -0.02 0.09 -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 -0.00 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 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.03 0.01 0.01 -0.02 -0.03 -0.00 -0.02 -0.01 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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.03 -0.10 0.06 0.12 0.07 -0.05 0.14 0.07 -0.08 -0.12 -0.06 0.06 -0.12 -0.01 -0.03 0.02 0.01 0.03 0.01 0.03 0.03 -0.02 0.10 0.21 0.17 -0.15 -0.04 0.24 0.07 -0.10 0.23 -0.03 0.31 0.20 -0.05 0.16 -0.21 0.08 0.23 -0.21 -0.02 -0.17 -0.13 -0.10 0.23 0.10 0.10 -0.18 0.03 -0.09 0.22 0.12 0.23 0.21 -0.00 -0.01 0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.02 -0.02 0.02 -0.01 0.06 -0.03 0.03 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 -0.01 0.00 -0.01 -0.05 0.00 -0.01 -0.05 0.01 -0.00 -0.03 -0.01 0.01 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 0.02 -0.20 0.23 0.29 0.17 -0.16 0.36 -0.21 0.20 0.30 0.17 -0.16 0.33 0.10 -0.08 0.18 -0.12 0.10 0.16 0.00 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.12 0.02 0.14 -0.09 0.05 0.09 0.09 -0.03 -0.07 -0.08 -0.07 0.01 0.13 0.07 -0.04 0.12 -0.13 0.04 0.09 0.05 -0.11 -0.05 -0.06 -0.13 0.02 -0.02 0.06 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.03 -0.01 0.01 -0.01 0.05 -0.02 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 0.01 0.00 0.00 0.02 0.00 0.00 0.02 -0.03 -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.01 -0.02 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 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.07 -0.04 -0.08 -0.04 0.04 -0.09 0.03 -0.08 -0.07 -0.05 0.04 -0.09 -0.04 0.07 -0.13 0.05 -0.10 -0.11 0.01 0.08 -0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.02 0.01 -0.02 -0.02 -0.00 -0.01 0.02 -0.16 0.06 -0.20 0.30 -0.01 -0.25 0.21 -0.12 0.19 0.39 0.05 -0.35 -0.18 -0.15 -0.38 0.17 -0.02 0.27 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.10 -0.02 -0.01 -0.02 0.00 0.00 -0.43 -0.08 -0.00 0.04 0.04 0.01 0.45 0.01 -0.02 -0.08 0.06 0.03 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.03 0.03 0.01 0.05 -0.03 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.11 0.08 0.04 -0.15 0.04 0.02 0.23 0.03 0.15 -0.26 -0.25 -0.08 0.22 0.13 -0.12 -0.38 0.26 0.12 -0.02 0.02 -0.01 -0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.06 -0.02 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.06 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.42 0.06 0.04 0.42 -0.05 -0.04 -0.09 0.01 0.01 0.02 0.01 0.00 0.01 0.01 0.00 0.01 0.09 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.05 -0.00 -0.02 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.11 -0.09 0.01 -0.16 0.10 0.03 -0.01 -0.00 -0.01 0.02 -0.00 -0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.38 -0.35 -0.15 -0.35 0.32 0.14 0.01 0.02 0.00 -0.08 -0.08 -0.03 0.01 0.02 0.01 0.05 -0.00 -0.01 0.02 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.04 -0.02 -0.01 -0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.10 -0.01 -0.01 -0.12 0.01 0.01 0.11 0.03 0.01 -0.01 0.00 0.00 -0.05 -0.09 -0.03 -0.03 0.69 0.26 -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 -0.02 0.04 0.01 0.02 -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 -0.07 0.08 0.03 0.10 -0.09 -0.04 0.01 -0.08 -0.02 -0.07 -0.07 -0.02 0.01 -0.07 -0.03 0.26 -0.18 -0.08 0.11 0.02 0.02 0.11 0.03 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.05 -0.01 0.45 0.29 0.08 -0.32 -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.01 -0.02 -0.03 -0.01 -0.62 -0.40 -0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.02 0.03 0.04 -0.04 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.03 -0.02 0.02 -0.02 0.02 -0.04 0.04 0.03 -0.00 0.01 -0.01 -0.02 0.02 0.02 0.32 -0.35 -0.28 -0.08 0.09 -0.10 -0.44 0.51 0.42 -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 0.02 -0.03 -0.03 0.03 -0.04 0.04 0.04 0.03 -0.03 -0.02 -0.02 -0.02 0.03 0.02 -0.01 0.05 -0.05 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.01 0.02 0.01 -0.01 -0.05 0.02 -0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.10 0.10 0.07 -0.04 0.03 -0.05 0.04 -0.04 -0.03 -0.07 0.06 -0.07 0.22 -0.23 -0.19 -0.34 0.37 0.29 0.23 -0.25 0.29 -0.27 0.32 0.26 0.02 0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.07 -0.08 -0.07 -0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.05 -0.03 -0.02 0.02 0.02 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.54 0.55 0.38 -0.02 0.01 -0.01 0.23 -0.22 -0.18 0.02 -0.02 0.02 -0.08 0.08 0.07 0.07 -0.07 -0.06 -0.04 0.04 -0.05 0.01 -0.01 -0.01 0.14 0.08 -0.15 -0.08 -0.11 -0.05 0.03 -0.03 -0.02 0.04 -0.02 0.05 -0.03 -0.05 -0.04 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 0.04 0.02 -0.02 -0.04 -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 0.00 0.00 0.00 0.00 -0.00 0.00 0.17 -0.17 -0.11 -0.19 0.17 -0.22 0.28 -0.28 -0.22 0.12 -0.11 0.12 -0.39 0.41 0.35 -0.07 0.07 0.05 0.14 -0.15 0.18 -0.07 0.08 0.07 -0.02 -0.01 0.02 0.01 0.01 0.01 -0.04 0.04 0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.03 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.05 0.02 -0.02 -0.03 -0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 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 -0.09 0.09 0.06 0.32 -0.28 0.39 -0.30 0.30 0.23 0.07 -0.07 0.07 -0.29 0.31 0.26 -0.08 0.09 0.06 0.13 -0.14 0.17 -0.04 0.04 0.03 0.08 0.04 -0.09 -0.03 -0.04 -0.02 0.06 -0.06 -0.04 -0.05 0.03 -0.06 0.03 0.05 0.03 0.06 -0.08 -0.06 -0.04 0.06 -0.06 -0.05 -0.04 0.04 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.03 -0.01 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.04 -0.04 0.05 -0.03 0.03 0.02 -0.01 0.01 -0.01 -0.04 0.04 0.04 -0.04 0.04 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 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.29 0.36 0.30 0.20 -0.27 0.26 0.28 0.21 -0.23 0.13 0.12 0.16 -0.20 -0.15 0.14 0.25 -0.27 -0.22 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.05 -0.03 -0.04 0.04 -0.05 -0.05 0.04 0.04 0.08 -0.07 0.09 0.01 -0.01 -0.01 -0.07 0.08 0.06 0.01 -0.01 0.01 -0.05 0.06 0.05 0.19 0.11 -0.21 -0.10 -0.14 -0.07 0.07 -0.06 -0.04 -0.06 0.04 -0.07 0.06 0.09 0.06 -0.17 0.21 0.17 0.13 -0.18 0.17 0.18 0.13 -0.14 -0.18 -0.17 -0.22 0.26 0.19 -0.18 -0.31 0.33 0.27 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.05 0.01 0.01 -0.01 -0.00 -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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.07 0.12 -0.11 0.15 0.03 -0.03 -0.03 -0.08 0.08 -0.09 -0.04 0.04 0.04 0.00 -0.01 -0.01 0.09 -0.09 0.12 -0.01 0.01 0.01 -0.38 -0.21 0.42 0.22 0.30 0.15 -0.13 0.12 0.09 0.12 -0.08 0.15 -0.12 -0.18 -0.12 -0.08 0.10 0.09 0.06 -0.08 0.08 0.08 0.06 -0.07 -0.08 -0.08 -0.10 0.13 0.10 -0.09 -0.17 0.18 0.14 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.03 -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 -0.04 0.04 0.03 0.02 -0.02 0.03 0.13 -0.13 -0.10 -0.09 0.09 -0.11 0.01 -0.01 -0.01 0.06 -0.06 -0.05 0.05 -0.06 0.08 0.02 -0.02 -0.02 -0.19 -0.11 0.21 0.08 0.11 0.06 0.34 -0.31 -0.22 -0.29 0.20 -0.35 0.26 0.38 0.26 -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 -0.02 0.02 0.02 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 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 0.01 -0.00 0.00 0.01 -0.01 0.02 -0.05 0.06 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.02 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.04 -0.03 -0.04 0.03 -0.05 -0.02 0.02 0.02 -0.19 0.19 -0.22 0.06 -0.07 -0.05 0.28 -0.30 -0.26 0.35 -0.37 0.47 0.10 -0.11 -0.10 0.13 0.08 -0.15 -0.09 -0.13 -0.07 -0.05 0.04 0.03 0.04 -0.03 0.04 -0.03 -0.04 -0.03 -0.04 0.05 0.04 -0.02 0.03 -0.03 -0.00 -0.01 0.00 0.02 0.02 0.03 -0.02 -0.01 0.01 -0.04 0.04 0.04 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 -0.01 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 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.35 0.27 -0.50 -0.20 0.17 0.07 0.42 -0.12 0.53 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 -0.02 0.02 0.01 -0.06 0.05 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.17 -0.18 -0.12 0.34 -0.29 0.43 0.33 -0.33 -0.28 -0.19 0.18 -0.22 0.02 -0.02 -0.01 -0.05 0.05 0.04 -0.07 0.08 -0.10 -0.02 0.02 0.02 0.12 0.07 -0.14 -0.09 -0.13 -0.07 -0.08 0.07 0.05 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 0.02 -0.02 -0.02 0.02 0.02 0.01 0.02 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.18 0.68 -0.02 0.58 -0.41 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.06 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.05 -0.04 0.06 0.07 -0.07 -0.06 0.10 -0.10 0.12 0.06 -0.07 -0.06 0.04 -0.04 -0.04 0.04 -0.04 0.06 0.01 -0.01 -0.01 0.31 0.17 -0.36 0.43 0.59 0.33 0.02 -0.02 -0.01 -0.04 0.03 -0.04 -0.02 -0.03 -0.02 -0.01 0.01 0.01 -0.01 0.02 -0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.03 -0.06 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.05 0.05 -0.03 -0.02 0.02 -0.01 -0.00 0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.02 0.15 -0.13 0.19 0.13 -0.12 -0.11 0.40 -0.40 0.49 0.17 -0.18 -0.17 0.09 -0.11 -0.09 0.12 -0.12 0.16 0.02 -0.02 -0.02 -0.12 -0.07 0.14 -0.11 -0.15 -0.08 -0.04 0.04 0.03 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.05 0.06 0.05 -0.05 0.07 -0.07 -0.01 -0.01 0.01 -0.07 -0.06 -0.08 -0.04 -0.03 0.03 0.05 -0.05 -0.04 0.02 0.03 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.03 -0.03 -0.04 0.00 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 -0.01 0.01 -0.02 -0.01 0.01 0.01 -0.05 0.05 -0.06 -0.02 0.02 0.02 -0.02 0.02 0.02 -0.02 0.02 -0.03 -0.01 0.02 0.02 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.28 0.36 0.30 -0.13 0.19 -0.20 -0.27 -0.22 0.22 -0.09 -0.07 -0.08 0.34 0.27 -0.24 0.23 -0.25 -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 0.03 -0.08 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.36 -0.25 0.47 0.00 0.00 -0.02 0.40 -0.10 0.47 -0.00 0.00 -0.00 -0.02 -0.09 -0.29 -0.00 0.25 -0.16 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.17 -0.12 0.23 0.00 0.00 -0.01 0.19 -0.05 0.23 -0.00 0.00 -0.00 0.05 0.18 0.61 0.01 -0.53 0.34 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.04 0.00 -0.04 0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.02 -0.02 0.02 0.02 -0.02 -0.02 0.04 -0.04 -0.04 0.04 -0.04 0.05 0.10 -0.12 -0.09 -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 0.01 0.00 0.23 -0.30 -0.26 0.22 -0.29 0.30 0.08 0.08 -0.07 -0.09 -0.07 -0.08 0.36 0.29 -0.26 0.26 -0.29 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.04 -0.02 -0.05 0.06 -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 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.02 0.02 -0.03 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.02 -0.02 -0.02 0.01 0.01 -0.01 0.02 0.03 0.02 -0.12 0.09 0.06 0.15 -0.12 0.18 0.20 0.29 0.19 0.03 -0.05 -0.02 -0.26 0.33 -0.33 0.44 0.32 -0.33 -0.05 -0.04 -0.06 0.09 0.07 -0.06 0.07 -0.08 -0.06 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.06 0.01 0.03 -0.03 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.02 0.01 -0.01 0.02 -0.00 0.00 0.00 0.02 -0.02 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.01 0.01 0.01 0.01 -0.01 0.03 0.04 0.03 -0.22 0.18 0.12 0.23 -0.19 0.29 0.34 0.50 0.32 -0.02 0.03 0.01 0.15 -0.19 0.19 -0.26 -0.19 0.19 0.03 0.02 0.03 -0.06 -0.05 0.04 -0.04 0.05 0.04 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 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 -0.07 0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.07 -0.05 0.03 -0.03 0.04 0.03 -0.03 -0.03 0.02 -0.02 0.02 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 -0.01 -0.01 -0.00 0.48 -0.43 -0.33 0.37 -0.27 0.48 -0.06 -0.05 -0.04 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.06 -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 0.01 -0.01 0.02 0.01 -0.01 -0.01 0.08 -0.08 0.10 0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.03 0.02 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 0.01 -0.02 0.03 -0.03 0.03 0.02 -0.02 0.48 0.43 0.58 0.28 0.21 -0.22 -0.13 0.11 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.04 -0.07 -0.02 -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 0.01 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.12 -0.04 0.43 0.84 0.28 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.06 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 -0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 0.02 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.03 0.03 0.05 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.44 0.83 0.28 0.06 0.12 0.04 0.01 0.00 -0.01 -0.02 0.02 0.01 0.01 -0.00 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.05 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 -0.00 0.09 0.08 -0.13 0.68 -0.63 -0.27 0.10 -0.03 0.14 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.08 -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 0.00 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 0.03 0.06 0.02 0.00 0.00 -0.00 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.30 0.89 0.31 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.02 0.00 -0.09 -0.06 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.82 0.54 0.15 8 8 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 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 8 8 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 1 1 1 1 1 1 1 1 1 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 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 276.20893 0.99998 0.00682 8.8E-4 -0.00681 0.99995 -0.00692 -9.3E-4 0.00691 0.99998 asymmetric 1 0.03197 0.00405 0.00373 0.66623 0.08434 0.07763 1104280.0 15.22 21.88 36.39 50.77 72.31 78.60 93.80 112.90 125.05 138.43 184.22 195.84 211.50 235.00 249.22 303.16 332.57 346.44 355.89 368.18 384.81 392.90 404.16 459.41 462.08 473.96 507.75 554.09 566.40 616.17 635.34 666.95 737.26 739.43 752.60 834.46 908.31 958.73 1033.35 1069.86 1090.78 1115.28 1129.82 1194.23 1208.52 1236.27 1253.23 1300.95 1321.85 1349.37 1362.38 1377.20 1394.48 1395.36 1410.84 1428.46 1443.88 1445.05 1457.85 1483.83 1493.42 1521.46 1531.04 1534.04 1544.20 1605.81 1622.02 1666.09 1670.77 1696.57 1719.31 1757.87 1796.71 1811.24 1821.48 1837.74 1862.59 1896.66 1926.77 1927.51 1950.08 1952.63 1962.22 1977.27 1987.66 1996.60 2012.28 2016.88 2021.35 2029.40 2042.92 2050.67 2051.98 2133.30 2138.17 2140.86 2145.57 2147.61 2150.73 2155.68 2163.77 2164.86 2166.21 2167.85 2172.64 2181.42 2376.01 2428.52 2516.31 3209.12 4289.24 4300.11 4303.29 4310.86 4323.87 4329.33 4336.67 4338.45 4342.62 4348.25 4353.81 4359.64 4371.92 4391.96 4403.83 4415.93 4418.36 4418.73 4425.22 4432.48 4432.83 4437.98 4446.98 4493.72 4533.69 4563.66 4566.80 4999.60 0.420598 0.444734 0.445678 0.362764 -853.018092 -852.993956 -852.993012 -853.075926 279.075 87.620 174.507 0.000 0.000 0.000 0.889 2.981 42.746 0.889 2.981 35.554 277.297 81.658 96.207 1 0.593 1.987 7.899 2 0.593 1.986 7.178 3 0.593 1.985 6.168 4 0.594 1.982 5.508 5 0.595 1.977 4.807 6 0.596 1.976 4.642 7 0.597 1.971 4.293 8 0.600 1.964 3.929 9 0.601 1.958 3.728 10 0.603 1.952 3.530 11 0.611 1.925 2.975 12 0.614 1.917 2.858 13 0.617 1.906 2.711 14 0.623 1.887 2.511 15 0.627 1.875 2.400 16 0.643 1.824 2.038 17 0.653 1.793 1.870 18 0.658 1.778 1.797 19 0.661 1.767 1.749 20 0.666 1.753 1.690 21 0.673 1.733 1.613 22 0.676 1.723 1.577 23 0.681 1.709 1.528 24 0.705 1.637 1.314 25 0.707 1.633 1.304 26 0.712 1.617 1.263 27 0.729 1.569 1.153 28 0.754 1.502 1.019 29 0.761 1.484 0.986 30 0.790 1.409 0.864 31 0.801 1.379 0.822 32 0.821 1.331 0.756 33 0.868 1.222 0.628 34 0.869 1.219 0.624 35 0.878 1.199 0.603 36 0.937 1.075 0.485 0.399875e+27 26.601924 61.253194 0.168652e+12 11.226990 25.851101 0.100000e+01 0.000000 0.000000 0.180431e+09 8.256310 19.010857 0.131409e+08 7.118623 16.391236 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.2165 1.5433 0.5441 2.7552 -119.7623 -128.0433 -128.6399 3.3008 0.2315 0.3019 5.7195 -2.5615 -3.1581 3.3008 0.2315 0.3019 129.1970 9.8648 -5.6826 -0.4310 40.7748 11.7213 2.5512 -2.1533 8.1980 1.8308 -14672.6888 -2040.8197 -545.6646 298.1577 30.9584 -10.6243 8.8070 -27.1647 6.2055 -3033.1618 -2873.9541 -425.7968 -2.5771 21.0158 -28.8459 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -853.4386896 5.541E-10 5.21E-6 0.420598 0.4447335 -852.993956 -852.9930119 -853.0759259 0.0325561,1.1993221,-1.2318783,-3.0367348,2.1114056,-2.1342841 C01 [X(C18H28O2)] -1.083562 -0.0161254 0.0249449 -1.6869872 0.8206481 -0.4528447 0.9092811 -1.1511822 0.4799764 -0.540366 0.5023924 -0.5339167 -1.2683641 -0.0615873 0.0271481 -0.2550993 -0.8457601 0.2786882 0.0919994 0.2709569 -0.467394 0.2017897 -0.0084529 -0.0332475 -0.2307929 0.2004472 -0.0436364 -0.1561428 0.0580707 0.1388793 0.164148 -0.0268468 -0.0016002 -0.0032987 0.0180308 0.0504238 0.0323492 -0.0130341 0.067854 0.1818175 0.029113 -0.0179765 0.0284584 0.0280754 0.0360827 -0.045411 0.058132 0.0084128 0.1344213 0.0275313 -0.0241708 0.0031296 0.079147 0.0017695 -0.0406214 0.0460962 0.0567094 0.1553369 -0.0282271 -0.0083252 -0.0078004 0.1231171 0.0332854 0.0147749 -0.0319444 0.1472507 -0.0958654 0.0226165 0.0248002 0.2084568 0.0227604 0.0262047 0.0686528 -0.0284497 0.0625177 0.0516946 0.0162046 -0.0206058 0.0946022 0.0269034 0.0411527 -0.0169073 -0.0039229 -0.022338 0.1116877 0.0512896 0.0011607 0.0187266 -0.0065581 0.001849 -0.0132077 0.0430664 0.0544425 0.0750073 0.0465908 0.029092 0.0488803 0.0342982 -0.043198 0.0419099 -0.0022743 -0.0050907 0.4373165 -0.0901081 0.0025553 -0.068123 0.0199468 -0.143462 0.0834402 -0.1195145 -0.1201892 -0.4671816 0.0940804 0.004829 0.1833396 -0.0322958 -0.0519828 -0.0867607 -0.0667655 -0.1203976 0.9966966 -0.2118875 0.0873795 -0.3011513 0.3431403 -0.2122317 0.1984193 -0.195272 0.0983901 -0.1279914 0.0142193 -0.0051895 -0.0619395 -0.0887147 0.1072534 0.0151307 0.1057913 0.057676 -1.4797877 0.4547716 -0.2153582 0.4095471 -0.2204821 0.0276165 -0.2730642 0.0366454 -0.212233 2.8132097 -0.6938762 0.3816628 -0.4877662 1.5136745 -0.6639905 0.3673475 -0.676948 0.6461693 1.2330661 -0.5267139 0.2951288 -0.2404215 0.5261543 -0.099349 0.1664064 -0.1175489 0.4132086 -0.1177211 -0.0923542 0.0485872 -0.0687736 0.0136663 -0.0624536 0.0355431 -0.0652011 -0.0673744 -0.3112495 0.1059932 -0.0552469 0.1879076 -0.4156402 0.0876343 -0.1014311 0.0892132 -0.3031765 -0.2482497 -0.0343149 -0.0174951 0.0003601 -0.0226262 0.0012831 0.0297804 -0.0332277 0.0013922 -0.049273 0.0956533 0.0818144 0.0931443 -0.043212 -0.0706073 0.0699728 -0.0583236 -0.0662403 -0.1341827 -0.0655938 -0.0499781 -0.0921288 0.0248678 0.0023938 -0.0483155 0.0363664 0.0094762 -0.0324579 0.047206 0.0764427 0.0324973 -0.0126138 -0.0653356 0.1063641 -0.094277 -0.0420624 -0.1369971 -0.073838 -0.0495934 -0.0634728 -0.0226519 -0.0020039 -0.0344644 0.0021108 0.0194221 -0.1324348 -0.0821911 -0.0451053 -0.0622229 -0.015077 0.0061796 -0.010675 0.0105831 0.0276374 -0.0244601 0.0679981 0.0906195 0.0566014 -0.0230503 -0.0367583 0.0816859 -0.0709148 -0.104792 -0.1569078 -0.0643564 -0.010399 -0.0873164 -0.0451266 -0.0187734 0.0021833 0.0032981 -0.0089033 -0.119535 0.0255203 -0.0567725 -0.0769345 0.1255165 0.0007991 -0.0515543 -0.0025034 -0.120874 -0.021428 0.061672 -0.0065024 -0.0422209 -0.146622 0.0470607 0.0244725 0.0850649 0.0408154 -0.1099456 -0.0417737 -0.0537204 -0.0791195 0.0426246 0.0029891 -0.0271115 0.0352044 0.0471794 -0.0176933 0.0719228 0.0952745 0.0846323 0.0034356 -0.1068689 0.0929591 -0.0723908 -0.0498739 0.0581447 -0.0008686 -0.0179026 -0.0167692 -0.1613872 0.1061813 -0.0300559 0.0491068 0.0060548 -0.1179611 -0.1209332 -0.0156632 -0.0319663 -0.0012883 -0.0008993 -0.0205462 -0.0192383 0.0632473 -0.0167649 0.0621447 0.0972976 0.0320592 0.0028346 -0.0356389 0.1205158 -0.0923938 -0.0589337 0.0276684 0.0456004 -0.0829899 0.0321566 -0.0133506 0.0519968 -0.1051318 0.1131733 -0.1333418 0.0411885 0.0158719 0.0274841 0.0478017 -0.183387 -0.0197528 0.0377182 -0.0188406 0.0821552 0.0204304 0.03816 -0.0882714 0.0387429 0.0371567 0.0973498 -0.057616 0.0663244 -0.1541264 -0.1275512 -0.0518713 0.0188407 -0.0912455 0.0361244 -0.0157338 -0.0448252 -0.0398622 0.0448494 0.0699277 -0.058011 0.0137888 -0.0466991 -0.0359011 0.0806107 -0.0102151 0.0749116 0.0689029 -0.0002515 -0.0278188 0.0081608 -0.0643329 -0.0434522 0.0823192 0.0177102 0.0883024 0.0720266 0.0452718 -0.0002023 -0.085924 -0.0014824 0.0280772 -0.0059426 -0.0900886 0.0385052 -0.0701752 0.0366624 -0.0804105 0.0424501 -0.0264516 0.0929245 -0.0040235 0.0144421 -0.007227 0.0896103 0.0346017 0.0773198 0.0477025 0.0848159 -0.0519698 -0.0139144 0.057582 -0.0585738 0.0108993 0.0265114 -0.0461166 0.016621 -0.0550242 0.0054925 0.0734124 0.0220907 0.0736993 0.1075389 -0.0712033 0.1047163 -0.0581156 -0.0230399 -0.0403552 -0.0336145 -0.0370487 -0.0288094 0.0325311 -0.0752394 0.1040304 -0.0514903 0.0117489 0.0427339 0.024442 0.037087 0.0296952 -0.046969 0.2310853 -0.0125204 0.0056485 -0.0212967 0.2315543 0.0012168 0.0110229 0.0007476 0.2331531 303.7549054|-63.7081173|233.4702796|26.9964859|-39.7748769|191.5935595 -0.000010856 -0.000006486 0.000006814 -0.000015995 -0.000016896 0.000008857 -0.000000981 0.000008221 0.000003867 -0.000002155 -0.000010733 -0.000003734 0.000004954 0.000002497 0.000002399 -0.000001841 -0.000002391 -0.000005473 0.000001801 0.000003704 0.000001414 0.000007043 0.000001927 -0.000000367 -0.000000688 -0.000001143 -0.000008907 0.000000863 -0.000008033 0.000000808 -0.000002928 0.000002626 0.000006029 -0.000006025 -0.000002341 -0.000000918 0.000003006 0.000005263 0.000000988 0.000001781 0.000000680 -0.000000555 -0.000005574 -0.000006902 0.000006993 -0.000006799 -0.000005711 0.000001542 0.000029933 0.000026443 -0.000015686 0.000010384 0.000003723 -0.000004806 -0.000000155 -0.000001722 0.000001046 -0.000000084 -0.000001576 0.000001695 -0.000001867 -0.000002869 -0.000000880 -0.000001696 0.000001664 0.000001642 0.000002137 0.000002597 0.000001214 -0.000001486 -0.000002578 -0.000002256 -0.000002366 -0.000000530 -0.000000569 0.000001881 0.000001358 0.000001876 -0.000000275 0.000001216 0.000002553 -0.000001974 -0.000000928 -0.000000965 -0.000001713 0.000000070 -0.000001906 -0.000001633 -0.000002445 -0.000001450 0.000001962 0.000000211 0.000001852 -0.000000411 0.000000983 0.000003365 -0.000001338 -0.000001973 0.000000846 0.000001588 0.000002956 0.000000734 -0.000001423 0.000001962 0.000001630 -0.000000535 0.000001678 -0.000001233 0.000001401 -0.000002165 -0.000000863 0.000000163 0.000000081 -0.000002667 0.000002612 0.000000687 -0.000000824 0.000000677 0.000001401 -0.000001551 -0.000000921 -0.000001957 0.000000768 0.000002114 0.000001810 -0.000003429 0.000002481 0.000002398 -0.000001065 -0.000000754 0.000002376 -0.000000110 -0.000001625 0.000000074 -0.000000214 -0.000001427 -0.000000023 0.000002037 -0.000001741 0.000000642 0.000000320 0.000000484 0.000000155 -0.000000863 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.4099,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5763,2.8211; Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H28O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=readoutput=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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.41,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5762,2.8211; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Kinoprene CONF342 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 16 16 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 1 1 1 1 1 1 1 1 1 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 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 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 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 628 A 608 A 608 944 628 76 76 1423.6697077740 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 -0.0446312429 0.000000 2.254641 0.000000 8.085645 7.801360 0.000000 8.662962 7.987644 1.539554 0.000000 9.445785 8.585271 2.594470 1.532368 0.000000 10.326671 9.196190 3.948427 2.550561 1.532553 0.000000 11.358669 10.123176 5.183527 3.948480 2.593498 1.539257 0.000000 7.169047 6.945857 1.554471 2.586606 3.105517 4.556848 5.561225 0.000000 7.659260 7.614944 1.533896 2.527172 3.928407 5.073423 6.457105 2.543256 0.000000 12.411978 11.013837 6.446208 5.066606 3.922619 2.524420 1.534793 6.960327 7.577743 0.000000 10.863720 9.535741 5.609540 4.560321 3.142985 2.554119 1.535418 5.562217 6.967877 2.520939 0.000000 5.981010 5.515923 2.560779 3.063028 3.599613 4.783601 5.813482 1.498573 3.149588 7.106884 5.594304 0.000000 4.687471 4.495381 3.569910 4.234087 4.922389 6.050984 7.103157 2.516832 3.680663 8.350822 6.809999 1.341562 0.000000 3.621040 3.054347 4.838118 5.219516 5.853176 6.748397 7.760362 3.894499 4.840681 8.875280 7.330311 2.499107 1.464144 0.000000 4.420903 3.013927 5.266187 5.210474 5.626797 6.219158 7.124478 4.469111 5.475663 8.082448 6.591795 2.972455 2.549032 1.505791 0.000000 2.311743 2.423729 5.871285 6.414837 7.146189 8.078423 9.112847 4.921224 5.638468 10.225635 8.672668 3.674943 2.409455 1.355984 2.532758 0.000000 1.365713 1.213771 7.243493 7.649881 8.348126 9.137385 10.133293 6.337073 6.965508 11.142474 9.613309 5.012411 3.821690 2.529908 3.094764 1.468744 0.000000 1.443370 2.629569 9.454294 9.943403 10.703581 11.490101 12.493556 8.559902 9.008975 13.471602 11.945951 7.314872 6.056247 4.873040 5.406174 3.648733 2.369807 0.000000 2.354703 4.062212 10.324789 10.960616 11.789626 12.667667 13.707036 9.428404 9.771487 14.737747 13.190305 8.305550 6.990803 5.975637 6.702880 4.655953 3.609097 1.454341 0.000000 3.419887 5.257841 11.162719 11.892741 12.764175 13.699621 14.760503 10.273155 10.539399 15.824124 14.264824 9.240443 7.906324 7.002967 7.828618 5.656779 4.737797 2.654849 1.200857 0.000000 8.996211 8.817159 1.098044 2.142718 2.824495 4.207923 5.285230 2.137358 2.145173 6.578473 5.821528 3.456667 4.463919 5.810713 6.287297 6.802586 8.211623 10.391544 11.202156 11.992262 0.000000 9.445587 8.800536 2.148220 1.096772 2.153753 2.736628 4.178611 3.511028 2.712587 5.080250 5.096746 4.074280 5.156039 6.117682 6.108150 7.257314 8.466583 10.710218 11.699928 12.608935 2.448700 0.000000 7.977938 7.143034 2.166179 1.097570 2.160694 2.798807 4.253971 2.888156 2.739852 5.230911 4.712273 2.801636 3.830027 4.567462 4.393700 5.778114 6.903391 9.191713 10.272258 11.249292 3.052090 1.748069 0.000000 8.865434 7.958430 2.864677 2.161837 1.094241 2.160333 2.848461 2.786327 4.266979 4.281373 2.817086 3.057919 4.383106 5.251327 4.980629 6.565312 7.743916 10.108336 11.216995 12.208936 3.224625 3.059330 2.497408 0.000000 10.175655 9.462497 2.796728 2.160706 1.098175 2.160390 2.806688 3.357022 4.211302 4.181327 3.466229 4.212185 5.536799 6.617034 6.536443 7.866756 9.141634 11.481457 12.505501 13.435426 2.583583 2.530288 3.065516 1.752850 0.000000 9.787821 8.495344 4.256431 2.791853 2.160715 1.099010 2.159830 4.761057 5.209758 2.781661 2.781504 4.647169 5.804414 6.284216 5.572583 7.611082 8.548502 10.873309 12.106398 13.175706 4.757655 3.065927 2.590687 2.500490 3.065916 0.000000 10.953384 9.887167 4.171030 2.740689 2.151004 1.097232 2.156574 5.092551 5.109181 2.672034 3.486241 5.449873 6.688049 7.432587 6.971509 8.725312 9.799295 12.125180 13.272235 14.281747 4.317240 2.468878 3.086036 3.056767 2.519564 1.753927 0.000000 11.943433 10.854148 5.245268 4.192470 2.782040 2.144962 1.098966 5.668286 6.588870 2.145027 2.146618 6.178933 7.509414 8.323182 7.840534 9.658631 10.769550 13.138970 14.298052 15.313845 5.116981 4.343596 4.742245 3.134282 2.545548 3.051329 2.500778 0.000000 7.865465 7.524520 2.169888 2.868503 2.814568 4.290622 5.031240 1.096047 3.472990 6.514341 4.896685 2.123322 3.244319 4.523843 4.918156 5.609445 6.986630 9.234355 10.135787 10.996417 2.389931 3.826716 3.337519 2.295702 2.876906 4.639520 4.945365 5.033222 0.000000 6.999442 7.121335 2.167505 3.511360 4.114290 5.599462 6.578427 1.094823 2.709586 7.999477 6.567946 2.135460 2.643388 4.105711 4.987504 4.887870 6.351945 8.429878 9.153026 9.902178 2.470351 4.302644 3.844918 3.825822 4.204283 5.843462 6.074016 6.596634 1.756759 0.000000 6.814751 6.685051 2.179277 2.813766 4.254467 5.261097 6.697097 2.817260 1.094166 7.749023 7.100235 2.861437 3.149790 4.082213 4.683761 4.843453 6.085265 8.116660 8.930566 9.741709 3.065510 3.115416 2.577840 4.467447 4.773353 5.166604 5.374584 6.996178 3.844032 3.073332 0.000000 8.536871 8.449962 2.179439 2.749352 4.196239 5.141384 6.571786 3.501785 1.093767 7.551374 7.301043 4.143289 4.719933 5.793593 6.316708 6.582636 7.848895 9.847016 10.599038 11.350916 2.499295 2.476999 3.039622 4.770630 4.409659 5.325897 4.941546 6.665036 4.313682 3.716956 1.769080 0.000000 7.541301 7.810841 2.183944 3.487876 4.761610 6.024710 7.336932 2.778428 1.094149 8.531081 7.775299 3.518144 3.800469 5.045472 5.933185 5.647618 7.017134 8.925697 9.547433 10.219849 2.486543 3.706493 3.766212 4.998555 4.899087 6.219545 6.090178 7.381982 3.722429 2.490401 1.766856 1.768758 0.000000 12.044193 10.508057 6.701922 5.249158 4.263883 2.794090 2.177630 7.167147 7.730448 1.095763 2.790099 7.091116 8.250991 8.604266 7.669357 9.937838 10.740383 13.024672 14.334867 15.450374 7.000664 5.309883 5.182351 4.527803 4.761899 2.602160 3.021842 3.064850 6.819730 8.244364 7.748271 7.730735 8.733034 0.000000 12.918378 11.593563 6.537848 5.134825 4.174543 2.763850 2.186080 7.274446 7.557753 1.094118 3.483638 7.538526 8.791348 9.386274 8.670747 10.721729 11.677437 14.003389 15.240696 16.306816 6.591171 4.913067 5.375473 4.769734 4.332075 3.134997 2.452837 2.496090 6.912430 8.283433 7.792693 7.374847 8.525475 1.768572 0.000000 13.217739 11.780059 7.329191 6.020850 4.757225 3.486487 2.184740 7.741669 8.537789 1.093995 2.759437 7.913598 9.165715 9.681767 8.857508 11.036421 11.937056 14.262988 15.542493 16.636781 7.391228 6.077321 6.231831 4.999919 4.883144 3.787955 3.688271 2.497508 7.183961 8.760167 8.743321 8.542802 9.454333 1.767712 1.769295 0.000000 10.284550 9.108381 5.076741 4.282779 2.856259 2.844048 2.195282 4.810530 6.511241 3.486777 1.092617 4.919506 6.133923 6.755374 6.174472 8.072846 9.086194 11.417696 12.609287 13.650323 5.253922 4.981357 4.523761 2.247691 3.080047 3.177206 3.855233 2.490571 4.031370 5.753668 6.690952 6.968186 7.213478 3.815325 4.344437 3.753536 0.000000 11.766597 10.395625 6.614808 5.605953 4.143892 3.505095 2.180433 6.521791 8.009004 2.733057 1.093897 6.588928 7.786138 8.280613 7.507557 9.607878 10.512600 12.819773 14.074012 15.153069 6.741485 6.096864 5.800909 3.824837 4.301691 3.774583 4.315126 2.510771 5.768650 7.486642 8.176596 8.330560 8.788542 3.089577 3.743986 2.517342 1.763231 0.000000 10.341665 8.851544 5.833489 4.709516 3.500284 2.801887 2.176783 5.724402 7.073676 2.807587 1.096085 5.470151 6.582555 6.895450 5.976531 8.228531 9.044706 11.342722 12.640631 13.750591 6.233329 5.296732 4.602639 3.082723 4.097707 2.579900 3.770680 3.064918 5.194759 6.769223 7.036463 7.442790 7.930098 2.631244 3.815317 3.154066 1.769174 1.767790 0.000000 6.362484 5.501990 2.953253 2.886335 3.162586 4.100750 5.074169 2.202679 3.712716 6.288152 4.770121 1.086375 2.099414 2.742032 2.615891 4.072693 5.232578 7.596959 8.716692 9.728762 3.875839 3.931961 2.422751 2.519400 3.971519 3.810275 4.870765 5.586385 2.499798 3.082379 3.355924 4.561294 4.307979 6.177262 6.794670 7.088999 4.205121 5.779994 4.515585 0.000000 4.607815 4.932293 3.773504 4.757620 5.551744 6.805262 7.881150 2.724344 3.655264 9.181533 7.652663 2.090074 1.088347 2.171863 3.513625 2.570844 4.036330 6.041240 6.776407 7.570566 4.524609 5.599481 4.510398 5.087153 6.018666 6.666190 7.369618 8.181282 3.529812 2.396091 3.250404 4.721428 3.455417 9.156321 9.566594 9.998082 6.913339 8.617337 7.519701 3.056220 0.000000 5.145003 3.732435 5.294444 5.171503 5.290677 5.869472 6.579207 4.347483 5.796428 7.587536 5.860614 2.927382 2.821107 2.141581 1.094570 3.240737 3.848484 6.117530 7.406749 8.524686 6.232872 6.155355 4.472650 4.489774 6.158977 5.280794 6.742190 7.277926 4.552752 4.946363 5.160583 6.668541 6.272163 7.216124 8.276937 8.270666 5.386400 6.706446 5.256774 2.386480 3.830515 0.000000 4.043065 2.213458 6.319328 6.219883 6.631807 7.107088 7.967505 5.541779 6.432415 8.821775 7.373824 4.043384 3.472920 2.161527 1.085024 2.682396 2.679008 4.789435 6.175029 7.347475 7.353930 7.073477 5.341828 5.987334 7.571476 6.370757 7.851611 8.745329 5.990727 6.011648 5.567137 7.238932 6.869887 8.310842 9.434866 9.573794 7.022339 8.241074 6.657883 3.688271 4.324772 1.773999 0.000000 5.144439 3.729880 4.823552 4.542622 5.062045 5.512066 6.536741 4.336990 4.979626 7.396445 6.191363 2.925889 2.819066 2.141321 1.094662 3.239672 3.846996 6.116903 7.406075 8.523962 5.888419 5.341601 3.604834 4.579886 6.048870 4.786574 6.173109 7.304237 4.852322 5.000022 4.142306 5.693343 5.599616 6.942317 7.903794 8.243160 5.907059 7.166162 5.552426 2.386874 3.826819 1.759865 1.773893 0.000000 2.377358 3.298891 5.885649 6.665677 7.482834 8.554103 9.625773 4.920072 5.523811 10.813841 9.250662 3.918276 2.576779 2.106197 3.501705 1.084054 2.150426 3.820447 4.520773 5.359783 6.723800 7.472800 6.157389 6.948210 8.094146 8.195267 9.152338 10.075666 5.665737 4.649001 4.827054 6.487338 5.324787 10.610702 11.261976 11.634858 8.578726 10.194616 8.909114 4.556456 2.259721 4.128124 3.759098 4.127247 0.000000 2.081322 2.583014 9.600862 9.967160 10.782055 11.458810 12.508429 8.844227 9.082585 13.390539 12.027079 7.549059 6.347598 5.090786 5.438563 3.984326 2.636741 1.094010 2.109890 3.206966 10.588313 10.669095 9.136283 10.251764 11.622376 10.769511 12.042442 13.212702 9.567633 8.805199 8.117465 9.841553 9.089993 12.877502 13.886006 14.212954 11.586803 12.922406 11.363930 7.740865 6.433808 6.255374 4.724374 6.001846 4.302333 0.000000 2.081277 2.586106 9.846403 10.269722 10.891820 11.635629 12.531241 8.849643 9.555529 13.497716 11.860579 7.549873 6.348603 5.090911 5.438705 3.984914 2.638214 1.094024 2.109885 3.207022 10.784178 11.099695 9.512906 10.212222 11.680565 10.998804 12.344633 13.198705 9.419405 8.774995 8.682094 10.436879 9.519615 13.027879 14.102524 14.229543 11.330476 12.673559 11.222836 7.741052 6.436012 6.002697 4.724493 6.255017 4.302803 1.761614 0.000000 4.418932 6.317171 11.951634 12.751418 13.653134 14.631273 15.707464 11.071378 11.277660 16.795917 15.228786 10.111009 8.770361 7.949898 8.839433 6.595451 5.759401 3.717597 2.263641 1.062796 12.740436 13.447795 12.144113 13.112487 14.288169 14.136948 15.195137 16.230544 11.803425 10.629639 10.517753 12.072542 10.886016 16.445360 17.262273 17.614210 14.589133 16.119766 14.742471 10.653973 8.350344 9.528898 8.390603 9.528146 6.198458 4.226199 4.226270 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2499,-.1803,.0448;4.0037,-1.9633,-.548;-2.3881,2.4728,.0248;-3.2287,1.4225,-.7238;-4.1641,.5861,.1557;-5.0511,-.3608,-.6601;-6.0642,-1.1791,.1605;-1.5261,1.8725,1.1706;-1.5163,3.2665,-.9565;-7.0079,-1.9518,-.7712;-5.3792,-2.1389,1.1438;-.6156,.7656,.7329;.7224,.8506,.6864;1.6345,-.2064,.2452;1.0429,-1.5157,-.2054;2.9623,.0674,.2683;4.0588,-.8261,-.1274;6.4184,-.9504,-.3085;7.6011,-.1365,-.0759;8.5997,.5058,.1037;-3.0853,3.1732,.5034;-3.8262,1.9446,-1.4811;-2.561,.7547,-1.2831;-3.5747,.0075,.8735;-4.7992,1.2558,.7508;-4.4153,-1.0536,-1.2289;-5.5993,.2282,-1.4061;-6.6696,-.4709,.7433;-2.1954,1.4928,1.9511;-.9407,2.6783,1.6251;-.7841,2.6154,-1.4436;-2.1272,3.7288,-1.7371;-.9657,4.062,-.4455;-6.4476,-2.672,-1.3779;-7.5341,-1.2786,-1.4546;-7.7587,-2.5093,-.2035;-4.7683,-1.61,1.8792;-6.1185,-2.7286,1.6936;-4.7284,-2.8388,.6071;-1.1013,-.1554,.4229;1.1913,1.7816,.9992;.4538,-1.9565,.605;1.8059,-2.2237,-.5119;.3587,-1.3459,-1.0428;3.291,1.0422,.6104;6.3515,-1.2534,-1.3576;6.4476,-1.8644,.2919;9.4797,1.0796,.2649; 0.6662297 0.0843377 0.0776325 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= 608 RedAO= T EigKep= 1.34D-06 NBF= 608 NBsUse= 606 1.00D-06 EigRej= 3.84D-07 NBFU= 606 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= 606 606 606 606 606 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -853.438689582515 -853.438689583 1 8.495033978062e+02 -4.830467117824e+03 1.703899953904e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414776442 LenY= 1414381430 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. PT266.300S Wed Sep 4 20:50:31 2024 -19.17161 -19.11228 -10.30508 -10.25723 -10.21243 -10.18931 -10.18415 -10.18382 -10.18343 -10.18342 -10.17980 -10.17658 -10.17597 -10.16940 -10.16917 -10.16759 -10.16675 -10.16085 -10.15982 -10.15904 -1.11094 -1.02322 -0.84874 -0.83066 -0.81382 -0.80063 -0.77535 -0.75055 -0.73509 -0.70484 -0.69380 -0.68730 -0.67945 -0.63411 -0.60977 -0.58372 -0.56430 -0.55545 -0.54867 -0.54046 -0.50805 -0.50016 -0.49968 -0.48789 -0.47317 -0.46783 -0.46231 -0.45030 -0.44272 -0.44160 -0.43259 -0.42880 -0.41605 -0.41374 -0.40355 -0.39767 -0.38830 -0.38378 -0.38122 -0.37681 -0.36999 -0.36724 -0.36152 -0.35377 -0.34507 -0.34305 -0.32705 -0.32608 -0.32416 -0.31940 -0.31264 -0.30956 -0.30139 -0.28442 -0.27822 -0.24439 -0.07300 -0.00554 0.00172 0.00211 0.00685 0.01034 0.01366 0.01725 0.01974 0.02313 0.02678 0.03109 0.03314 0.03841 0.03953 0.04184 0.04603 0.04894 0.05293 0.05596 0.05973 0.06160 0.06261 0.06812 0.06960 0.07274 0.07711 0.07941 0.08071 0.08753 0.08997 0.09256 0.09482 0.09872 0.10206 0.10257 0.10500 0.10939 0.11037 0.11524 0.11609 0.12091 0.12544 0.13128 0.13745 0.13845 0.14025 0.14716 0.14938 0.15027 0.15211 0.15553 0.15909 0.16210 0.16519 0.16759 0.17040 0.17435 0.17631 0.17985 0.18185 0.18290 0.18609 0.18821 0.18975 0.19131 0.19738 0.19868 0.20156 0.20507 0.20533 0.20784 0.21085 0.21331 0.21535 0.21623 0.21959 0.22276 0.22673 0.23063 0.23237 0.23356 0.23607 0.23861 0.24031 0.24184 0.24473 0.24963 0.25294 0.25532 0.25913 0.26043 0.26382 0.26673 0.27149 0.27379 0.27623 0.27975 0.28218 0.28336 0.28953 0.29547 0.29768 0.30285 0.30810 0.31016 0.31132 0.31343 0.31919 0.32700 0.32790 0.33307 0.33425 0.33784 0.34883 0.34997 0.36031 0.36739 0.37559 0.38432 0.38993 0.39596 0.40061 0.40356 0.41330 0.41803 0.42499 0.42925 0.43538 0.43736 0.44588 0.44856 0.45170 0.47048 0.47205 0.48158 0.49005 0.49358 0.49455 0.50277 0.50932 0.51503 0.52056 0.52242 0.52929 0.53846 0.54425 0.55292 0.56019 0.56212 0.56769 0.57727 0.57977 0.58544 0.59674 0.59763 0.60538 0.61115 0.61399 0.62136 0.62683 0.62731 0.63166 0.63609 0.64109 0.64601 0.65198 0.65339 0.66051 0.66568 0.66667 0.66773 0.67300 0.67610 0.68147 0.68856 0.69007 0.69506 0.69705 0.69975 0.70454 0.70648 0.70973 0.71295 0.71454 0.71918 0.72222 0.72460 0.73074 0.73733 0.74713 0.75247 0.75750 0.76067 0.76701 0.77477 0.77735 0.78589 0.79007 0.80063 0.80525 0.80786 0.82079 0.82378 0.83591 0.83909 0.85223 0.86736 0.87258 0.88281 0.90719 0.92006 0.92369 0.93119 0.94362 0.95098 0.96298 0.96795 0.97606 0.98706 0.99447 1.00413 1.01140 1.01575 1.02576 1.03026 1.03157 1.05248 1.05822 1.08524 1.09430 1.09777 1.10196 1.10963 1.11737 1.13284 1.13318 1.15687 1.15992 1.17085 1.17428 1.17876 1.18412 1.19343 1.19955 1.20990 1.21902 1.22961 1.24804 1.26990 1.28060 1.29070 1.30099 1.30727 1.33624 1.33788 1.34771 1.39908 1.40163 1.41041 1.43158 1.43338 1.44911 1.45239 1.45760 1.46133 1.46626 1.47021 1.47323 1.48131 1.49078 1.49286 1.50057 1.51374 1.51833 1.53236 1.53759 1.54437 1.54773 1.55511 1.55905 1.56918 1.57103 1.57272 1.57525 1.58734 1.59009 1.59210 1.60278 1.60397 1.61056 1.61549 1.61859 1.62285 1.63462 1.64453 1.64841 1.64973 1.65774 1.66550 1.67257 1.67869 1.68083 1.69436 1.70597 1.70948 1.71511 1.71852 1.73344 1.73539 1.74790 1.75391 1.76244 1.77085 1.77653 1.77949 1.78962 1.79203 1.79949 1.80214 1.81788 1.82070 1.82967 1.83233 1.83877 1.84739 1.85206 1.86979 1.87743 1.89746 1.90948 1.92547 1.92893 1.95691 1.96574 1.97363 1.97798 1.98162 1.99152 1.99429 2.01049 2.02683 2.03201 2.05424 2.06549 2.07990 2.08559 2.09002 2.10518 2.10682 2.11993 2.13520 2.13675 2.13915 2.16256 2.16718 2.17360 2.19176 2.21570 2.22369 2.22701 2.24483 2.26581 2.28189 2.28554 2.30498 2.31927 2.32096 2.33423 2.35227 2.35646 2.37111 2.38645 2.39598 2.41203 2.42050 2.43713 2.44608 2.44925 2.45302 2.46506 2.48138 2.49173 2.49335 2.50102 2.50436 2.51333 2.51371 2.51837 2.52304 2.53550 2.54054 2.55018 2.55281 2.56080 2.56340 2.56804 2.58299 2.59193 2.59706 2.60416 2.61436 2.61905 2.62166 2.63213 2.63466 2.64373 2.65881 2.66411 2.66746 2.67363 2.68945 2.69086 2.69896 2.71102 2.72107 2.73518 2.74137 2.75357 2.75642 2.76003 2.77103 2.78274 2.79214 2.79378 2.80046 2.81191 2.81855 2.82631 2.83555 2.84922 2.86787 2.89840 2.90921 2.91188 2.92796 2.93134 2.93845 2.94754 2.95661 2.96892 2.98596 2.98982 2.99765 3.00213 3.01351 3.01822 3.03085 3.03963 3.05481 3.06901 3.07295 3.08611 3.11036 3.13768 3.14647 3.16174 3.18312 3.19921 3.21051 3.23231 3.25751 3.32258 3.34937 3.36406 3.37329 3.38799 3.40086 3.48427 3.51866 3.53606 3.57708 3.63391 3.66826 3.67517 3.77022 3.78273 3.79158 3.79247 3.79714 3.80054 3.80744 3.82054 3.83671 3.84588 3.86098 3.86888 3.87666 3.94452 3.99192 3.99889 4.04616 4.07067 4.09917 4.10321 4.19531 4.21682 4.23663 4.29217 4.29901 4.32667 4.40082 4.42045 4.52067 4.98443 5.06193 5.25964 5.37540 5.66191 5.86178 23.55588 23.67089 23.80304 23.83176 23.84020 23.86522 23.88517 23.89169 23.90947 23.91887 23.94352 23.96720 23.97469 23.97834 23.97938 24.16994 24.24169 25.14111 49.90513 50.02744 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 O O 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 H H H H H H H H H -0.060007 -0.287324 0.491556 -0.530102 -0.095539 -0.472231 0.307765 -0.598193 -0.746572 -0.608410 -0.571590 0.148107 -0.082262 0.845522 -0.911276 -0.416330 -0.188006 -0.261068 1.066223 -1.096253 0.130297 0.136535 0.152784 0.118661 0.137701 0.141593 0.138348 0.126746 0.165787 0.139044 0.160546 0.135659 0.140072 0.137127 0.134057 0.135255 0.135384 0.135085 0.138837 0.146788 0.111442 0.157286 0.189327 0.152827 0.132846 0.187248 0.187504 0.161205 -0.00000 -2.2165 1.5433 0.5441 2.7552 -119.7623 -128.0433 -128.6399 3.3008 0.2315 0.3019 5.7195 -2.5615 -3.1581 3.3008 0.2315 0.3019 129.1971 9.8648 -5.6826 -0.4310 40.7749 11.7213 2.5512 -2.1533 8.1980 1.8308 -14672.6877 -2040.8198 -545.6646 298.1578 30.9584 -10.6243 8.8070 -27.1647 6.2055 -3033.1618 -2873.9541 -425.7968 -2.5771 21.0158 -28.8459 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES25 ALCAMI 2024-09-04T00:00:00.000 0 Wavefunction Kinoprene CONF342 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-853.4386896 RMSD=2.257e-09 Dipole=-1.0835623,-0.0161253,0.0249449 Quadrupole=0.0325554,1.1993229,-1.2318784,-3.0367361,2.1114068,-2.1342851 PG=C01 [X(C18H28O2)] 0 4.2370392431 -2.5603172046 1.109559073 0 4.2965542833 -0.5627790497 0.0656688641 0 -3.4342990135 -0.0100033918 0.954241991 0 -3.4048936553 1.4878532915 0.599578183 0 -3.9002973428 1.8362085095 -0.8080347384 0 -3.9506922624 3.3472770911 -1.0587369896 0 -4.5073751481 3.7654475801 -2.4315260211 0 -2.6403449573 -0.8976880784 -0.0447744124 0 -2.947147667 -0.2346100706 2.3912777085 0 -4.6740787309 5.2896316237 -2.4998011343 0 -3.6318307034 3.2705772207 -3.5917133355 0 -1.2111597424 -0.484476463 -0.2247908934 0 -0.1525252212 -1.1929637236 0.196073025 0 1.2518647601 -0.8050569078 0.0513884747 0 1.563478485 0.5042588853 -0.6238851145 0 2.18652472 -1.6558577756 0.5425516866 0 3.644675405 -1.4815767073 0.5174474197 0 5.6791535968 -2.5178825415 1.1522343755 0 6.161936353 -3.7226930994 1.8083282898 0 6.5972039848 -4.7047510309 2.3451358391 0 -4.4789134976 -0.3428325572 0.8933626936 0 -4.0197254199 2.0216482584 1.3343937952 0 -2.3854447884 1.8722726314 0.7322639546 0 -3.2536744674 1.3632014721 -1.5533581957 0 -4.9013325611 1.4099495954 -0.9571020265 0 -2.9419903132 3.7680483648 -0.9434298143 0 -4.5634415061 3.8121126056 -0.2761865129 0 -5.5023153974 3.3113480694 -2.5392904642 0 -3.1433105423 -0.866500548 -1.0181050727 0 -2.6872029447 -1.9361845799 0.2986882111 0 -1.8987264565 0.0593197984 2.4990596293 0 -3.5360958961 0.3537728743 3.1006943929 0 -3.0285097931 -1.2871952854 2.6786924635 0 -3.7046948966 5.7893937888 -2.3938366159 0 -5.3268551837 5.6562433443 -1.7019454713 0 -5.104717297 5.6001201191 -3.4563427389 0 -3.566383341 2.1803930589 -3.6237507282 0 -4.0321760797 3.6043648594 -4.5534413057 0 -2.6136529962 3.6660060756 -3.500315574 0 -1.0503179387 0.4679340199 -0.7220374628 0 -0.3330379523 -2.1439225854 0.693658905 0 1.1528330444 0.506748485 -1.6385016464 0 2.6308061444 0.6925830526 -0.6751056528 0 1.0833352184 1.3254372875 -0.0822095089 0 1.8617121826 -2.5770451824 1.0127465396 0 6.0014916143 -1.6221665313 1.6913526253 0 6.0716369226 -2.4422414956 0.1338417794 0 6.9759425806 -5.5762501972 2.8211416283 Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H28O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.41,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5762,2.8211; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Kinoprene CONF342 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 16 16 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 1 1 1 1 1 1 1 1 1 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 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 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 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 628 A 608 A 608 944 628 76 76 1423.6697077740 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 -0.0446312429 0.000000 2.254641 0.000000 8.085645 7.801360 0.000000 8.662962 7.987644 1.539554 0.000000 9.445785 8.585271 2.594470 1.532368 0.000000 10.326671 9.196190 3.948427 2.550561 1.532553 0.000000 11.358669 10.123176 5.183527 3.948480 2.593498 1.539257 0.000000 7.169047 6.945857 1.554471 2.586606 3.105517 4.556848 5.561225 0.000000 7.659260 7.614944 1.533896 2.527172 3.928407 5.073423 6.457105 2.543256 0.000000 12.411978 11.013837 6.446208 5.066606 3.922619 2.524420 1.534793 6.960327 7.577743 0.000000 10.863720 9.535741 5.609540 4.560321 3.142985 2.554119 1.535418 5.562217 6.967877 2.520939 0.000000 5.981010 5.515923 2.560779 3.063028 3.599613 4.783601 5.813482 1.498573 3.149588 7.106884 5.594304 0.000000 4.687471 4.495381 3.569910 4.234087 4.922389 6.050984 7.103157 2.516832 3.680663 8.350822 6.809999 1.341562 0.000000 3.621040 3.054347 4.838118 5.219516 5.853176 6.748397 7.760362 3.894499 4.840681 8.875280 7.330311 2.499107 1.464144 0.000000 4.420903 3.013927 5.266187 5.210474 5.626797 6.219158 7.124478 4.469111 5.475663 8.082448 6.591795 2.972455 2.549032 1.505791 0.000000 2.311743 2.423729 5.871285 6.414837 7.146189 8.078423 9.112847 4.921224 5.638468 10.225635 8.672668 3.674943 2.409455 1.355984 2.532758 0.000000 1.365713 1.213771 7.243493 7.649881 8.348126 9.137385 10.133293 6.337073 6.965508 11.142474 9.613309 5.012411 3.821690 2.529908 3.094764 1.468744 0.000000 1.443370 2.629569 9.454294 9.943403 10.703581 11.490101 12.493556 8.559902 9.008975 13.471602 11.945951 7.314872 6.056247 4.873040 5.406174 3.648733 2.369807 0.000000 2.354703 4.062212 10.324789 10.960616 11.789626 12.667667 13.707036 9.428404 9.771487 14.737747 13.190305 8.305550 6.990803 5.975637 6.702880 4.655953 3.609097 1.454341 0.000000 3.419887 5.257841 11.162719 11.892741 12.764175 13.699621 14.760503 10.273155 10.539399 15.824124 14.264824 9.240443 7.906324 7.002967 7.828618 5.656779 4.737797 2.654849 1.200857 0.000000 8.996211 8.817159 1.098044 2.142718 2.824495 4.207923 5.285230 2.137358 2.145173 6.578473 5.821528 3.456667 4.463919 5.810713 6.287297 6.802586 8.211623 10.391544 11.202156 11.992262 0.000000 9.445587 8.800536 2.148220 1.096772 2.153753 2.736628 4.178611 3.511028 2.712587 5.080250 5.096746 4.074280 5.156039 6.117682 6.108150 7.257314 8.466583 10.710218 11.699928 12.608935 2.448700 0.000000 7.977938 7.143034 2.166179 1.097570 2.160694 2.798807 4.253971 2.888156 2.739852 5.230911 4.712273 2.801636 3.830027 4.567462 4.393700 5.778114 6.903391 9.191713 10.272258 11.249292 3.052090 1.748069 0.000000 8.865434 7.958430 2.864677 2.161837 1.094241 2.160333 2.848461 2.786327 4.266979 4.281373 2.817086 3.057919 4.383106 5.251327 4.980629 6.565312 7.743916 10.108336 11.216995 12.208936 3.224625 3.059330 2.497408 0.000000 10.175655 9.462497 2.796728 2.160706 1.098175 2.160390 2.806688 3.357022 4.211302 4.181327 3.466229 4.212185 5.536799 6.617034 6.536443 7.866756 9.141634 11.481457 12.505501 13.435426 2.583583 2.530288 3.065516 1.752850 0.000000 9.787821 8.495344 4.256431 2.791853 2.160715 1.099010 2.159830 4.761057 5.209758 2.781661 2.781504 4.647169 5.804414 6.284216 5.572583 7.611082 8.548502 10.873309 12.106398 13.175706 4.757655 3.065927 2.590687 2.500490 3.065916 0.000000 10.953384 9.887167 4.171030 2.740689 2.151004 1.097232 2.156574 5.092551 5.109181 2.672034 3.486241 5.449873 6.688049 7.432587 6.971509 8.725312 9.799295 12.125180 13.272235 14.281747 4.317240 2.468878 3.086036 3.056767 2.519564 1.753927 0.000000 11.943433 10.854148 5.245268 4.192470 2.782040 2.144962 1.098966 5.668286 6.588870 2.145027 2.146618 6.178933 7.509414 8.323182 7.840534 9.658631 10.769550 13.138970 14.298052 15.313845 5.116981 4.343596 4.742245 3.134282 2.545548 3.051329 2.500778 0.000000 7.865465 7.524520 2.169888 2.868503 2.814568 4.290622 5.031240 1.096047 3.472990 6.514341 4.896685 2.123322 3.244319 4.523843 4.918156 5.609445 6.986630 9.234355 10.135787 10.996417 2.389931 3.826716 3.337519 2.295702 2.876906 4.639520 4.945365 5.033222 0.000000 6.999442 7.121335 2.167505 3.511360 4.114290 5.599462 6.578427 1.094823 2.709586 7.999477 6.567946 2.135460 2.643388 4.105711 4.987504 4.887870 6.351945 8.429878 9.153026 9.902178 2.470351 4.302644 3.844918 3.825822 4.204283 5.843462 6.074016 6.596634 1.756759 0.000000 6.814751 6.685051 2.179277 2.813766 4.254467 5.261097 6.697097 2.817260 1.094166 7.749023 7.100235 2.861437 3.149790 4.082213 4.683761 4.843453 6.085265 8.116660 8.930566 9.741709 3.065510 3.115416 2.577840 4.467447 4.773353 5.166604 5.374584 6.996178 3.844032 3.073332 0.000000 8.536871 8.449962 2.179439 2.749352 4.196239 5.141384 6.571786 3.501785 1.093767 7.551374 7.301043 4.143289 4.719933 5.793593 6.316708 6.582636 7.848895 9.847016 10.599038 11.350916 2.499295 2.476999 3.039622 4.770630 4.409659 5.325897 4.941546 6.665036 4.313682 3.716956 1.769080 0.000000 7.541301 7.810841 2.183944 3.487876 4.761610 6.024710 7.336932 2.778428 1.094149 8.531081 7.775299 3.518144 3.800469 5.045472 5.933185 5.647618 7.017134 8.925697 9.547433 10.219849 2.486543 3.706493 3.766212 4.998555 4.899087 6.219545 6.090178 7.381982 3.722429 2.490401 1.766856 1.768758 0.000000 12.044193 10.508057 6.701922 5.249158 4.263883 2.794090 2.177630 7.167147 7.730448 1.095763 2.790099 7.091116 8.250991 8.604266 7.669357 9.937838 10.740383 13.024672 14.334867 15.450374 7.000664 5.309883 5.182351 4.527803 4.761899 2.602160 3.021842 3.064850 6.819730 8.244364 7.748271 7.730735 8.733034 0.000000 12.918378 11.593563 6.537848 5.134825 4.174543 2.763850 2.186080 7.274446 7.557753 1.094118 3.483638 7.538526 8.791348 9.386274 8.670747 10.721729 11.677437 14.003389 15.240696 16.306816 6.591171 4.913067 5.375473 4.769734 4.332075 3.134997 2.452837 2.496090 6.912430 8.283433 7.792693 7.374847 8.525475 1.768572 0.000000 13.217739 11.780059 7.329191 6.020850 4.757225 3.486487 2.184740 7.741669 8.537789 1.093995 2.759437 7.913598 9.165715 9.681767 8.857508 11.036421 11.937056 14.262988 15.542493 16.636781 7.391228 6.077321 6.231831 4.999919 4.883144 3.787955 3.688271 2.497508 7.183961 8.760167 8.743321 8.542802 9.454333 1.767712 1.769295 0.000000 10.284550 9.108381 5.076741 4.282779 2.856259 2.844048 2.195282 4.810530 6.511241 3.486777 1.092617 4.919506 6.133923 6.755374 6.174472 8.072846 9.086194 11.417696 12.609287 13.650323 5.253922 4.981357 4.523761 2.247691 3.080047 3.177206 3.855233 2.490571 4.031370 5.753668 6.690952 6.968186 7.213478 3.815325 4.344437 3.753536 0.000000 11.766597 10.395625 6.614808 5.605953 4.143892 3.505095 2.180433 6.521791 8.009004 2.733057 1.093897 6.588928 7.786138 8.280613 7.507557 9.607878 10.512600 12.819773 14.074012 15.153069 6.741485 6.096864 5.800909 3.824837 4.301691 3.774583 4.315126 2.510771 5.768650 7.486642 8.176596 8.330560 8.788542 3.089577 3.743986 2.517342 1.763231 0.000000 10.341665 8.851544 5.833489 4.709516 3.500284 2.801887 2.176783 5.724402 7.073676 2.807587 1.096085 5.470151 6.582555 6.895450 5.976531 8.228531 9.044706 11.342722 12.640631 13.750591 6.233329 5.296732 4.602639 3.082723 4.097707 2.579900 3.770680 3.064918 5.194759 6.769223 7.036463 7.442790 7.930098 2.631244 3.815317 3.154066 1.769174 1.767790 0.000000 6.362484 5.501990 2.953253 2.886335 3.162586 4.100750 5.074169 2.202679 3.712716 6.288152 4.770121 1.086375 2.099414 2.742032 2.615891 4.072693 5.232578 7.596959 8.716692 9.728762 3.875839 3.931961 2.422751 2.519400 3.971519 3.810275 4.870765 5.586385 2.499798 3.082379 3.355924 4.561294 4.307979 6.177262 6.794670 7.088999 4.205121 5.779994 4.515585 0.000000 4.607815 4.932293 3.773504 4.757620 5.551744 6.805262 7.881150 2.724344 3.655264 9.181533 7.652663 2.090074 1.088347 2.171863 3.513625 2.570844 4.036330 6.041240 6.776407 7.570566 4.524609 5.599481 4.510398 5.087153 6.018666 6.666190 7.369618 8.181282 3.529812 2.396091 3.250404 4.721428 3.455417 9.156321 9.566594 9.998082 6.913339 8.617337 7.519701 3.056220 0.000000 5.145003 3.732435 5.294444 5.171503 5.290677 5.869472 6.579207 4.347483 5.796428 7.587536 5.860614 2.927382 2.821107 2.141581 1.094570 3.240737 3.848484 6.117530 7.406749 8.524686 6.232872 6.155355 4.472650 4.489774 6.158977 5.280794 6.742190 7.277926 4.552752 4.946363 5.160583 6.668541 6.272163 7.216124 8.276937 8.270666 5.386400 6.706446 5.256774 2.386480 3.830515 0.000000 4.043065 2.213458 6.319328 6.219883 6.631807 7.107088 7.967505 5.541779 6.432415 8.821775 7.373824 4.043384 3.472920 2.161527 1.085024 2.682396 2.679008 4.789435 6.175029 7.347475 7.353930 7.073477 5.341828 5.987334 7.571476 6.370757 7.851611 8.745329 5.990727 6.011648 5.567137 7.238932 6.869887 8.310842 9.434866 9.573794 7.022339 8.241074 6.657883 3.688271 4.324772 1.773999 0.000000 5.144439 3.729880 4.823552 4.542622 5.062045 5.512066 6.536741 4.336990 4.979626 7.396445 6.191363 2.925889 2.819066 2.141321 1.094662 3.239672 3.846996 6.116903 7.406075 8.523962 5.888419 5.341601 3.604834 4.579886 6.048870 4.786574 6.173109 7.304237 4.852322 5.000022 4.142306 5.693343 5.599616 6.942317 7.903794 8.243160 5.907059 7.166162 5.552426 2.386874 3.826819 1.759865 1.773893 0.000000 2.377358 3.298891 5.885649 6.665677 7.482834 8.554103 9.625773 4.920072 5.523811 10.813841 9.250662 3.918276 2.576779 2.106197 3.501705 1.084054 2.150426 3.820447 4.520773 5.359783 6.723800 7.472800 6.157389 6.948210 8.094146 8.195267 9.152338 10.075666 5.665737 4.649001 4.827054 6.487338 5.324787 10.610702 11.261976 11.634858 8.578726 10.194616 8.909114 4.556456 2.259721 4.128124 3.759098 4.127247 0.000000 2.081322 2.583014 9.600862 9.967160 10.782055 11.458810 12.508429 8.844227 9.082585 13.390539 12.027079 7.549059 6.347598 5.090786 5.438563 3.984326 2.636741 1.094010 2.109890 3.206966 10.588313 10.669095 9.136283 10.251764 11.622376 10.769511 12.042442 13.212702 9.567633 8.805199 8.117465 9.841553 9.089993 12.877502 13.886006 14.212954 11.586803 12.922406 11.363930 7.740865 6.433808 6.255374 4.724374 6.001846 4.302333 0.000000 2.081277 2.586106 9.846403 10.269722 10.891820 11.635629 12.531241 8.849643 9.555529 13.497716 11.860579 7.549873 6.348603 5.090911 5.438705 3.984914 2.638214 1.094024 2.109885 3.207022 10.784178 11.099695 9.512906 10.212222 11.680565 10.998804 12.344633 13.198705 9.419405 8.774995 8.682094 10.436879 9.519615 13.027879 14.102524 14.229543 11.330476 12.673559 11.222836 7.741052 6.436012 6.002697 4.724493 6.255017 4.302803 1.761614 0.000000 4.418932 6.317171 11.951634 12.751418 13.653134 14.631273 15.707464 11.071378 11.277660 16.795917 15.228786 10.111009 8.770361 7.949898 8.839433 6.595451 5.759401 3.717597 2.263641 1.062796 12.740436 13.447795 12.144113 13.112487 14.288169 14.136948 15.195137 16.230544 11.803425 10.629639 10.517753 12.072542 10.886016 16.445360 17.262273 17.614210 14.589133 16.119766 14.742471 10.653973 8.350344 9.528898 8.390603 9.528146 6.198458 4.226199 4.226270 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2499,-.1803,.0448;4.0037,-1.9633,-.548;-2.3881,2.4728,.0248;-3.2287,1.4225,-.7238;-4.1641,.5861,.1557;-5.0511,-.3608,-.6601;-6.0642,-1.1791,.1605;-1.5261,1.8725,1.1706;-1.5163,3.2665,-.9565;-7.0079,-1.9518,-.7712;-5.3792,-2.1389,1.1438;-.6156,.7656,.7329;.7224,.8506,.6864;1.6345,-.2064,.2452;1.0429,-1.5157,-.2054;2.9623,.0674,.2683;4.0588,-.8261,-.1274;6.4184,-.9504,-.3085;7.6011,-.1365,-.0759;8.5997,.5058,.1037;-3.0853,3.1732,.5034;-3.8262,1.9446,-1.4811;-2.561,.7547,-1.2831;-3.5747,.0075,.8735;-4.7992,1.2558,.7508;-4.4153,-1.0536,-1.2289;-5.5993,.2282,-1.4061;-6.6696,-.4709,.7433;-2.1954,1.4928,1.9511;-.9407,2.6783,1.6251;-.7841,2.6154,-1.4436;-2.1272,3.7288,-1.7371;-.9657,4.062,-.4455;-6.4476,-2.672,-1.3779;-7.5341,-1.2786,-1.4546;-7.7587,-2.5093,-.2035;-4.7683,-1.61,1.8792;-6.1185,-2.7286,1.6936;-4.7284,-2.8388,.6071;-1.1013,-.1554,.4229;1.1913,1.7816,.9992;.4538,-1.9565,.605;1.8059,-2.2237,-.5119;.3587,-1.3459,-1.0428;3.291,1.0422,.6104;6.3515,-1.2534,-1.3576;6.4476,-1.8644,.2919;9.4797,1.0796,.2649; 0.6662297 0.0843377 0.0776325 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= 608 RedAO= T EigKep= 1.34D-06 NBF= 608 NBsUse= 606 1.00D-06 EigRej= 3.84D-07 NBFU= 606 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= 606 606 606 606 606 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -853.438689582514 -853.438689583 1 8.495033978062e+02 -4.830467117824e+03 1.703899953904e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414776442 LenY= 1414381430 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 4.4338 279.64 0.0000 0.000 73 77 0.17168 75 77 0.67570 -853.275751478 2 Singlet-A 4.5756 270.97 1.0099 0.000 76 77 0.69701 3 Singlet-A 5.2379 236.71 0.0020 0.000 74 77 0.70479 4 Singlet-A 5.6059 221.17 0.0000 0.000 73 77 0.68114 75 77 -0.17947 5 Singlet-A 5.8416 212.24 0.0049 0.000 71 77 0.10414 76 78 0.64389 76 79 0.11979 76 80 -0.10878 76 81 0.15440 76 82 -0.10977 6 Singlet-A 5.9063 209.92 0.0018 0.000 72 77 0.69119 7 Singlet-A 5.9357 208.88 0.0666 0.000 71 77 0.60345 76 79 -0.17157 76 80 -0.17016 76 84 0.11644 76 86 -0.11791 8 Singlet-A 6.0799 203.93 0.0045 0.000 71 77 0.15287 76 80 0.62435 76 83 -0.14666 76 84 0.16787 76 85 0.11190 9 Singlet-A 6.1190 202.62 0.0001 0.000 63 77 0.11293 65 77 0.10560 67 77 0.43351 68 77 0.14635 69 77 0.40753 76 79 0.23124 10 Singlet-A 6.1214 202.54 0.0015 0.000 67 77 -0.19135 69 77 -0.15430 71 77 0.11827 74 79 0.20458 74 81 -0.13180 76 78 -0.11687 76 79 0.55003 PT19990.100S Wed Sep 4 21:32:29 2024 -19.17161 -19.11228 -10.30508 -10.25723 -10.21243 -10.18931 -10.18415 -10.18382 -10.18343 -10.18342 -10.17980 -10.17658 -10.17597 -10.16940 -10.16917 -10.16759 -10.16675 -10.16085 -10.15982 -10.15904 -1.11094 -1.02322 -0.84874 -0.83066 -0.81382 -0.80063 -0.77535 -0.75055 -0.73509 -0.70484 -0.69380 -0.68730 -0.67945 -0.63411 -0.60977 -0.58372 -0.56430 -0.55545 -0.54867 -0.54046 -0.50805 -0.50016 -0.49968 -0.48789 -0.47317 -0.46783 -0.46231 -0.45030 -0.44272 -0.44160 -0.43259 -0.42880 -0.41605 -0.41374 -0.40355 -0.39767 -0.38830 -0.38378 -0.38122 -0.37681 -0.36999 -0.36724 -0.36152 -0.35377 -0.34507 -0.34305 -0.32705 -0.32608 -0.32416 -0.31940 -0.31264 -0.30956 -0.30139 -0.28442 -0.27822 -0.24439 -0.07300 -0.00554 0.00172 0.00211 0.00685 0.01034 0.01366 0.01725 0.01974 0.02313 0.02678 0.03109 0.03314 0.03841 0.03953 0.04184 0.04603 0.04894 0.05293 0.05596 0.05973 0.06160 0.06261 0.06812 0.06960 0.07274 0.07711 0.07941 0.08071 0.08753 0.08997 0.09256 0.09482 0.09872 0.10206 0.10257 0.10500 0.10939 0.11037 0.11524 0.11609 0.12091 0.12544 0.13128 0.13745 0.13845 0.14025 0.14716 0.14938 0.15027 0.15211 0.15553 0.15909 0.16210 0.16519 0.16759 0.17040 0.17435 0.17631 0.17985 0.18185 0.18290 0.18609 0.18821 0.18975 0.19131 0.19738 0.19868 0.20156 0.20507 0.20533 0.20784 0.21085 0.21331 0.21535 0.21623 0.21959 0.22276 0.22673 0.23063 0.23237 0.23356 0.23607 0.23861 0.24031 0.24184 0.24473 0.24963 0.25294 0.25532 0.25913 0.26043 0.26382 0.26673 0.27149 0.27379 0.27623 0.27975 0.28218 0.28336 0.28953 0.29547 0.29768 0.30285 0.30810 0.31016 0.31132 0.31343 0.31919 0.32700 0.32790 0.33307 0.33425 0.33784 0.34883 0.34997 0.36031 0.36739 0.37559 0.38432 0.38993 0.39596 0.40061 0.40356 0.41330 0.41803 0.42499 0.42925 0.43538 0.43736 0.44588 0.44856 0.45170 0.47048 0.47205 0.48158 0.49005 0.49358 0.49455 0.50277 0.50932 0.51503 0.52056 0.52242 0.52929 0.53846 0.54425 0.55292 0.56019 0.56212 0.56769 0.57727 0.57977 0.58544 0.59674 0.59763 0.60538 0.61115 0.61399 0.62136 0.62683 0.62731 0.63166 0.63609 0.64109 0.64601 0.65198 0.65339 0.66051 0.66568 0.66667 0.66773 0.67300 0.67610 0.68147 0.68856 0.69007 0.69506 0.69705 0.69975 0.70454 0.70648 0.70973 0.71295 0.71454 0.71918 0.72222 0.72460 0.73074 0.73733 0.74713 0.75247 0.75750 0.76067 0.76701 0.77477 0.77735 0.78589 0.79007 0.80063 0.80525 0.80786 0.82079 0.82378 0.83591 0.83909 0.85223 0.86736 0.87258 0.88281 0.90719 0.92006 0.92369 0.93119 0.94362 0.95098 0.96298 0.96795 0.97606 0.98706 0.99447 1.00413 1.01140 1.01575 1.02576 1.03026 1.03157 1.05248 1.05822 1.08524 1.09430 1.09777 1.10196 1.10963 1.11737 1.13284 1.13318 1.15687 1.15992 1.17085 1.17428 1.17876 1.18412 1.19343 1.19955 1.20990 1.21902 1.22961 1.24804 1.26990 1.28060 1.29070 1.30099 1.30727 1.33624 1.33788 1.34771 1.39908 1.40163 1.41041 1.43158 1.43338 1.44911 1.45239 1.45760 1.46133 1.46626 1.47021 1.47323 1.48131 1.49078 1.49286 1.50057 1.51374 1.51833 1.53236 1.53759 1.54437 1.54773 1.55511 1.55905 1.56918 1.57103 1.57272 1.57525 1.58734 1.59009 1.59210 1.60278 1.60397 1.61056 1.61549 1.61859 1.62285 1.63462 1.64453 1.64841 1.64973 1.65774 1.66550 1.67257 1.67869 1.68083 1.69436 1.70597 1.70948 1.71511 1.71852 1.73344 1.73539 1.74790 1.75391 1.76244 1.77085 1.77653 1.77949 1.78962 1.79203 1.79949 1.80214 1.81788 1.82070 1.82967 1.83233 1.83877 1.84739 1.85206 1.86979 1.87743 1.89746 1.90948 1.92547 1.92893 1.95691 1.96574 1.97363 1.97798 1.98162 1.99152 1.99429 2.01049 2.02683 2.03201 2.05424 2.06549 2.07990 2.08559 2.09002 2.10518 2.10682 2.11993 2.13520 2.13675 2.13915 2.16256 2.16718 2.17360 2.19176 2.21570 2.22369 2.22701 2.24483 2.26581 2.28189 2.28554 2.30498 2.31927 2.32096 2.33423 2.35227 2.35646 2.37111 2.38645 2.39598 2.41203 2.42050 2.43713 2.44608 2.44925 2.45302 2.46506 2.48138 2.49173 2.49335 2.50102 2.50436 2.51333 2.51371 2.51837 2.52304 2.53550 2.54054 2.55018 2.55281 2.56080 2.56340 2.56804 2.58299 2.59193 2.59706 2.60416 2.61436 2.61905 2.62166 2.63213 2.63466 2.64373 2.65881 2.66411 2.66746 2.67363 2.68945 2.69086 2.69896 2.71102 2.72107 2.73518 2.74137 2.75357 2.75642 2.76003 2.77103 2.78274 2.79214 2.79378 2.80046 2.81191 2.81855 2.82631 2.83555 2.84922 2.86787 2.89840 2.90921 2.91188 2.92796 2.93134 2.93845 2.94754 2.95661 2.96892 2.98596 2.98982 2.99765 3.00213 3.01351 3.01822 3.03085 3.03963 3.05481 3.06901 3.07295 3.08611 3.11036 3.13768 3.14647 3.16174 3.18312 3.19921 3.21051 3.23231 3.25751 3.32258 3.34937 3.36406 3.37329 3.38799 3.40086 3.48427 3.51866 3.53606 3.57708 3.63391 3.66826 3.67517 3.77022 3.78273 3.79158 3.79247 3.79714 3.80054 3.80744 3.82054 3.83671 3.84588 3.86098 3.86888 3.87666 3.94452 3.99192 3.99889 4.04616 4.07067 4.09917 4.10321 4.19531 4.21682 4.23663 4.29217 4.29901 4.32667 4.40082 4.42045 4.52067 4.98443 5.06193 5.25964 5.37540 5.66191 5.86178 23.55588 23.67089 23.80304 23.83176 23.84020 23.86522 23.88517 23.89169 23.90947 23.91887 23.94352 23.96720 23.97469 23.97834 23.97938 24.16994 24.24169 25.14111 49.90513 50.02744 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 O O 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 H H H H H H H H H -0.060007 -0.287324 0.491556 -0.530102 -0.095539 -0.472231 0.307765 -0.598193 -0.746572 -0.608410 -0.571590 0.148107 -0.082262 0.845522 -0.911276 -0.416330 -0.188006 -0.261068 1.066223 -1.096253 0.130297 0.136535 0.152784 0.118661 0.137701 0.141593 0.138348 0.126746 0.165787 0.139044 0.160546 0.135659 0.140072 0.137127 0.134057 0.135255 0.135384 0.135085 0.138837 0.146788 0.111442 0.157286 0.189327 0.152827 0.132846 0.187248 0.187504 0.161205 -0.00000 -2.2165 1.5433 0.5441 2.7552 -119.7623 -128.0433 -128.6399 3.3008 0.2315 0.3019 5.7195 -2.5615 -3.1581 3.3008 0.2315 0.3019 129.1971 9.8648 -5.6826 -0.4310 40.7749 11.7213 2.5512 -2.1533 8.1980 1.8308 -14672.6877 -2040.8198 -545.6646 298.1578 30.9584 -10.6243 8.8070 -27.1647 6.2055 -3033.1618 -2873.9541 -425.7968 -2.5771 21.0158 -28.8459 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES25 ALCAMI 2024-09-04T00:00:00.000 0 Electronic spectrum Kinoprene CONF342gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-853.4386896 RMSD=2.165e-09 PG=C01 [X(C18H28O2)] 0 4.2370392431 -2.5603172046 1.109559073 0 4.2965542833 -0.5627790497 0.0656688641 0 -3.4342990135 -0.0100033918 0.954241991 0 -3.4048936553 1.4878532915 0.599578183 0 -3.9002973428 1.8362085095 -0.8080347384 0 -3.9506922624 3.3472770911 -1.0587369896 0 -4.5073751481 3.7654475801 -2.4315260211 0 -2.6403449573 -0.8976880784 -0.0447744124 0 -2.947147667 -0.2346100706 2.3912777085 0 -4.6740787309 5.2896316237 -2.4998011343 0 -3.6318307034 3.2705772207 -3.5917133355 0 -1.2111597424 -0.484476463 -0.2247908934 0 -0.1525252212 -1.1929637236 0.196073025 0 1.2518647601 -0.8050569078 0.0513884747 0 1.563478485 0.5042588853 -0.6238851145 0 2.18652472 -1.6558577756 0.5425516866 0 3.644675405 -1.4815767073 0.5174474197 0 5.6791535968 -2.5178825415 1.1522343755 0 6.161936353 -3.7226930994 1.8083282898 0 6.5972039848 -4.7047510309 2.3451358391 0 -4.4789134976 -0.3428325572 0.8933626936 0 -4.0197254199 2.0216482584 1.3343937952 0 -2.3854447884 1.8722726314 0.7322639546 0 -3.2536744674 1.3632014721 -1.5533581957 0 -4.9013325611 1.4099495954 -0.9571020265 0 -2.9419903132 3.7680483648 -0.9434298143 0 -4.5634415061 3.8121126056 -0.2761865129 0 -5.5023153974 3.3113480694 -2.5392904642 0 -3.1433105423 -0.866500548 -1.0181050727 0 -2.6872029447 -1.9361845799 0.2986882111 0 -1.8987264565 0.0593197984 2.4990596293 0 -3.5360958961 0.3537728743 3.1006943929 0 -3.0285097931 -1.2871952854 2.6786924635 0 -3.7046948966 5.7893937888 -2.3938366159 0 -5.3268551837 5.6562433443 -1.7019454713 0 -5.104717297 5.6001201191 -3.4563427389 0 -3.566383341 2.1803930589 -3.6237507282 0 -4.0321760797 3.6043648594 -4.5534413057 0 -2.6136529962 3.6660060756 -3.500315574 0 -1.0503179387 0.4679340199 -0.7220374628 0 -0.3330379523 -2.1439225854 0.693658905 0 1.1528330444 0.506748485 -1.6385016464 0 2.6308061444 0.6925830526 -0.6751056528 0 1.0833352184 1.3254372875 -0.0822095089 0 1.8617121826 -2.5770451824 1.0127465396 0 6.0014916143 -1.6221665313 1.6913526253 0 6.0716369226 -2.4422414956 0.1338417794 0 6.9759425806 -5.5762501972 2.8211416283 Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H28O2)] 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.237,-2.5603,1.1096;4.2966,-.5628,.0657;-3.4343,-.01,.9542;-3.4049,1.4879,.5996;-3.9003,1.8362,-.808;-3.9507,3.3473,-1.0587;-4.5074,3.7654,-2.4315;-2.6403,-.8977,-.0448;-2.9471,-.2346,2.3913;-4.6741,5.2896,-2.4998;-3.6318,3.2706,-3.5917;-1.2112,-.4845,-.2248;-.1525,-1.193,.1961;1.2519,-.8051,.0514;1.5635,.5043,-.6239;2.1865,-1.6559,.5426;3.6447,-1.4816,.5174;5.6792,-2.5179,1.1522;6.1619,-3.7227,1.8083;6.5972,-4.7048,2.3451;-4.4789,-.3428,.8934;-4.0197,2.0216,1.3344;-2.3854,1.8723,.7323;-3.2537,1.3632,-1.5534;-4.9013,1.41,-.9571;-2.942,3.768,-.9434;-4.5634,3.8121,-.2762;-5.5023,3.3113,-2.5393;-3.1433,-.8665,-1.0181;-2.6872,-1.9362,.2987;-1.8987,.0593,2.4991;-3.5361,.3538,3.1007;-3.0285,-1.2872,2.6787;-3.7047,5.7894,-2.3938;-5.3269,5.6562,-1.7019;-5.1047,5.6001,-3.4563;-3.5664,2.1804,-3.6238;-4.0322,3.6044,-4.5534;-2.6137,3.666,-3.5003;-1.0503,.4679,-.722;-.333,-2.1439,.6937;1.1528,.5067,-1.6385;2.6308,.6926,-.6751;1.0833,1.3254,-.0822;1.8617,-2.577,1.0127;6.0015,-1.6222,1.6914;6.0716,-2.4422,.1338;6.9759,-5.5762,2.8211; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Kinoprene CONF342 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 16 16 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 1 1 1 1 1 1 1 1 1 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 1 1 1 1 1 1 1 1 1 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 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 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 1152 A 1032 A 1032 1468 1152 76 76 1423.6697077740 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 -0.0446312429 0.000000 2.254641 0.000000 8.085645 7.801360 0.000000 8.662962 7.987644 1.539554 0.000000 9.445785 8.585271 2.594470 1.532368 0.000000 10.326671 9.196190 3.948427 2.550561 1.532553 0.000000 11.358669 10.123176 5.183527 3.948480 2.593498 1.539257 0.000000 7.169047 6.945857 1.554471 2.586606 3.105517 4.556848 5.561225 0.000000 7.659260 7.614944 1.533896 2.527172 3.928407 5.073423 6.457105 2.543256 0.000000 12.411978 11.013837 6.446208 5.066606 3.922619 2.524420 1.534793 6.960327 7.577743 0.000000 10.863720 9.535741 5.609540 4.560321 3.142985 2.554119 1.535418 5.562217 6.967877 2.520939 0.000000 5.981010 5.515923 2.560779 3.063028 3.599613 4.783601 5.813482 1.498573 3.149588 7.106884 5.594304 0.000000 4.687471 4.495381 3.569910 4.234087 4.922389 6.050984 7.103157 2.516832 3.680663 8.350822 6.809999 1.341562 0.000000 3.621040 3.054347 4.838118 5.219516 5.853176 6.748397 7.760362 3.894499 4.840681 8.875280 7.330311 2.499107 1.464144 0.000000 4.420903 3.013927 5.266187 5.210474 5.626797 6.219158 7.124478 4.469111 5.475663 8.082448 6.591795 2.972455 2.549032 1.505791 0.000000 2.311743 2.423729 5.871285 6.414837 7.146189 8.078423 9.112847 4.921224 5.638468 10.225635 8.672668 3.674943 2.409455 1.355984 2.532758 0.000000 1.365713 1.213771 7.243493 7.649881 8.348126 9.137385 10.133293 6.337073 6.965508 11.142474 9.613309 5.012411 3.821690 2.529908 3.094764 1.468744 0.000000 1.443370 2.629569 9.454294 9.943403 10.703581 11.490101 12.493556 8.559902 9.008975 13.471602 11.945951 7.314872 6.056247 4.873040 5.406174 3.648733 2.369807 0.000000 2.354703 4.062212 10.324789 10.960616 11.789626 12.667667 13.707036 9.428404 9.771487 14.737747 13.190305 8.305550 6.990803 5.975637 6.702880 4.655953 3.609097 1.454341 0.000000 3.419887 5.257841 11.162719 11.892741 12.764175 13.699621 14.760503 10.273155 10.539399 15.824124 14.264824 9.240443 7.906324 7.002967 7.828618 5.656779 4.737797 2.654849 1.200857 0.000000 8.996211 8.817159 1.098044 2.142718 2.824495 4.207923 5.285230 2.137358 2.145173 6.578473 5.821528 3.456667 4.463919 5.810713 6.287297 6.802586 8.211623 10.391544 11.202156 11.992262 0.000000 9.445587 8.800536 2.148220 1.096772 2.153753 2.736628 4.178611 3.511028 2.712587 5.080250 5.096746 4.074280 5.156039 6.117682 6.108150 7.257314 8.466583 10.710218 11.699928 12.608935 2.448700 0.000000 7.977938 7.143034 2.166179 1.097570 2.160694 2.798807 4.253971 2.888156 2.739852 5.230911 4.712273 2.801636 3.830027 4.567462 4.393700 5.778114 6.903391 9.191713 10.272258 11.249292 3.052090 1.748069 0.000000 8.865434 7.958430 2.864677 2.161837 1.094241 2.160333 2.848461 2.786327 4.266979 4.281373 2.817086 3.057919 4.383106 5.251327 4.980629 6.565312 7.743916 10.108336 11.216995 12.208936 3.224625 3.059330 2.497408 0.000000 10.175655 9.462497 2.796728 2.160706 1.098175 2.160390 2.806688 3.357022 4.211302 4.181327 3.466229 4.212185 5.536799 6.617034 6.536443 7.866756 9.141634 11.481457 12.505501 13.435426 2.583583 2.530288 3.065516 1.752850 0.000000 9.787821 8.495344 4.256431 2.791853 2.160715 1.099010 2.159830 4.761057 5.209758 2.781661 2.781504 4.647169 5.804414 6.284216 5.572583 7.611082 8.548502 10.873309 12.106398 13.175706 4.757655 3.065927 2.590687 2.500490 3.065916 0.000000 10.953384 9.887167 4.171030 2.740689 2.151004 1.097232 2.156574 5.092551 5.109181 2.672034 3.486241 5.449873 6.688049 7.432587 6.971509 8.725312 9.799295 12.125180 13.272235 14.281747 4.317240 2.468878 3.086036 3.056767 2.519564 1.753927 0.000000 11.943433 10.854148 5.245268 4.192470 2.782040 2.144962 1.098966 5.668286 6.588870 2.145027 2.146618 6.178933 7.509414 8.323182 7.840534 9.658631 10.769550 13.138970 14.298052 15.313845 5.116981 4.343596 4.742245 3.134282 2.545548 3.051329 2.500778 0.000000 7.865465 7.524520 2.169888 2.868503 2.814568 4.290622 5.031240 1.096047 3.472990 6.514341 4.896685 2.123322 3.244319 4.523843 4.918156 5.609445 6.986630 9.234355 10.135787 10.996417 2.389931 3.826716 3.337519 2.295702 2.876906 4.639520 4.945365 5.033222 0.000000 6.999442 7.121335 2.167505 3.511360 4.114290 5.599462 6.578427 1.094823 2.709586 7.999477 6.567946 2.135460 2.643388 4.105711 4.987504 4.887870 6.351945 8.429878 9.153026 9.902178 2.470351 4.302644 3.844918 3.825822 4.204283 5.843462 6.074016 6.596634 1.756759 0.000000 6.814751 6.685051 2.179277 2.813766 4.254467 5.261097 6.697097 2.817260 1.094166 7.749023 7.100235 2.861437 3.149790 4.082213 4.683761 4.843453 6.085265 8.116660 8.930566 9.741709 3.065510 3.115416 2.577840 4.467447 4.773353 5.166604 5.374584 6.996178 3.844032 3.073332 0.000000 8.536871 8.449962 2.179439 2.749352 4.196239 5.141384 6.571786 3.501785 1.093767 7.551374 7.301043 4.143289 4.719933 5.793593 6.316708 6.582636 7.848895 9.847016 10.599038 11.350916 2.499295 2.476999 3.039622 4.770630 4.409659 5.325897 4.941546 6.665036 4.313682 3.716956 1.769080 0.000000 7.541301 7.810841 2.183944 3.487876 4.761610 6.024710 7.336932 2.778428 1.094149 8.531081 7.775299 3.518144 3.800469 5.045472 5.933185 5.647618 7.017134 8.925697 9.547433 10.219849 2.486543 3.706493 3.766212 4.998555 4.899087 6.219545 6.090178 7.381982 3.722429 2.490401 1.766856 1.768758 0.000000 12.044193 10.508057 6.701922 5.249158 4.263883 2.794090 2.177630 7.167147 7.730448 1.095763 2.790099 7.091116 8.250991 8.604266 7.669357 9.937838 10.740383 13.024672 14.334867 15.450374 7.000664 5.309883 5.182351 4.527803 4.761899 2.602160 3.021842 3.064850 6.819730 8.244364 7.748271 7.730735 8.733034 0.000000 12.918378 11.593563 6.537848 5.134825 4.174543 2.763850 2.186080 7.274446 7.557753 1.094118 3.483638 7.538526 8.791348 9.386274 8.670747 10.721729 11.677437 14.003389 15.240696 16.306816 6.591171 4.913067 5.375473 4.769734 4.332075 3.134997 2.452837 2.496090 6.912430 8.283433 7.792693 7.374847 8.525475 1.768572 0.000000 13.217739 11.780059 7.329191 6.020850 4.757225 3.486487 2.184740 7.741669 8.537789 1.093995 2.759437 7.913598 9.165715 9.681767 8.857508 11.036421 11.937056 14.262988 15.542493 16.636781 7.391228 6.077321 6.231831 4.999919 4.883144 3.787955 3.688271 2.497508 7.183961 8.760167 8.743321 8.542802 9.454333 1.767712 1.769295 0.000000 10.284550 9.108381 5.076741 4.282779 2.856259 2.844048 2.195282 4.810530 6.511241 3.486777 1.092617 4.919506 6.133923 6.755374 6.174472 8.072846 9.086194 11.417696 12.609287 13.650323 5.253922 4.981357 4.523761 2.247691 3.080047 3.177206 3.855233 2.490571 4.031370 5.753668 6.690952 6.968186 7.213478 3.815325 4.344437 3.753536 0.000000 11.766597 10.395625 6.614808 5.605953 4.143892 3.505095 2.180433 6.521791 8.009004 2.733057 1.093897 6.588928 7.786138 8.280613 7.507557 9.607878 10.512600 12.819773 14.074012 15.153069 6.741485 6.096864 5.800909 3.824837 4.301691 3.774583 4.315126 2.510771 5.768650 7.486642 8.176596 8.330560 8.788542 3.089577 3.743986 2.517342 1.763231 0.000000 10.341665 8.851544 5.833489 4.709516 3.500284 2.801887 2.176783 5.724402 7.073676 2.807587 1.096085 5.470151 6.582555 6.895450 5.976531 8.228531 9.044706 11.342722 12.640631 13.750591 6.233329 5.296732 4.602639 3.082723 4.097707 2.579900 3.770680 3.064918 5.194759 6.769223 7.036463 7.442790 7.930098 2.631244 3.815317 3.154066 1.769174 1.767790 0.000000 6.362484 5.501990 2.953253 2.886335 3.162586 4.100750 5.074169 2.202679 3.712716 6.288152 4.770121 1.086375 2.099414 2.742032 2.615891 4.072693 5.232578 7.596959 8.716692 9.728762 3.875839 3.931961 2.422751 2.519400 3.971519 3.810275 4.870765 5.586385 2.499798 3.082379 3.355924 4.561294 4.307979 6.177262 6.794670 7.088999 4.205121 5.779994 4.515585 0.000000 4.607815 4.932293 3.773504 4.757620 5.551744 6.805262 7.881150 2.724344 3.655264 9.181533 7.652663 2.090074 1.088347 2.171863 3.513625 2.570844 4.036330 6.041240 6.776407 7.570566 4.524609 5.599481 4.510398 5.087153 6.018666 6.666190 7.369618 8.181282 3.529812 2.396091 3.250404 4.721428 3.455417 9.156321 9.566594 9.998082 6.913339 8.617337 7.519701 3.056220 0.000000 5.145003 3.732435 5.294444 5.171503 5.290677 5.869472 6.579207 4.347483 5.796428 7.587536 5.860614 2.927382 2.821107 2.141581 1.094570 3.240737 3.848484 6.117530 7.406749 8.524686 6.232872 6.155355 4.472650 4.489774 6.158977 5.280794 6.742190 7.277926 4.552752 4.946363 5.160583 6.668541 6.272163 7.216124 8.276937 8.270666 5.386400 6.706446 5.256774 2.386480 3.830515 0.000000 4.043065 2.213458 6.319328 6.219883 6.631807 7.107088 7.967505 5.541779 6.432415 8.821775 7.373824 4.043384 3.472920 2.161527 1.085024 2.682396 2.679008 4.789435 6.175029 7.347475 7.353930 7.073477 5.341828 5.987334 7.571476 6.370757 7.851611 8.745329 5.990727 6.011648 5.567137 7.238932 6.869887 8.310842 9.434866 9.573794 7.022339 8.241074 6.657883 3.688271 4.324772 1.773999 0.000000 5.144439 3.729880 4.823552 4.542622 5.062045 5.512066 6.536741 4.336990 4.979626 7.396445 6.191363 2.925889 2.819066 2.141321 1.094662 3.239672 3.846996 6.116903 7.406075 8.523962 5.888419 5.341601 3.604834 4.579886 6.048870 4.786574 6.173109 7.304237 4.852322 5.000022 4.142306 5.693343 5.599616 6.942317 7.903794 8.243160 5.907059 7.166162 5.552426 2.386874 3.826819 1.759865 1.773893 0.000000 2.377358 3.298891 5.885649 6.665677 7.482834 8.554103 9.625773 4.920072 5.523811 10.813841 9.250662 3.918276 2.576779 2.106197 3.501705 1.084054 2.150426 3.820447 4.520773 5.359783 6.723800 7.472800 6.157389 6.948210 8.094146 8.195267 9.152338 10.075666 5.665737 4.649001 4.827054 6.487338 5.324787 10.610702 11.261976 11.634858 8.578726 10.194616 8.909114 4.556456 2.259721 4.128124 3.759098 4.127247 0.000000 2.081322 2.583014 9.600862 9.967160 10.782055 11.458810 12.508429 8.844227 9.082585 13.390539 12.027079 7.549059 6.347598 5.090786 5.438563 3.984326 2.636741 1.094010 2.109890 3.206966 10.588313 10.669095 9.136283 10.251764 11.622376 10.769511 12.042442 13.212702 9.567633 8.805199 8.117465 9.841553 9.089993 12.877502 13.886006 14.212954 11.586803 12.922406 11.363930 7.740865 6.433808 6.255374 4.724374 6.001846 4.302333 0.000000 2.081277 2.586106 9.846403 10.269722 10.891820 11.635629 12.531241 8.849643 9.555529 13.497716 11.860579 7.549873 6.348603 5.090911 5.438705 3.984914 2.638214 1.094024 2.109885 3.207022 10.784178 11.099695 9.512906 10.212222 11.680565 10.998804 12.344633 13.198705 9.419405 8.774995 8.682094 10.436879 9.519615 13.027879 14.102524 14.229543 11.330476 12.673559 11.222836 7.741052 6.436012 6.002697 4.724493 6.255017 4.302803 1.761614 0.000000 4.418932 6.317171 11.951634 12.751418 13.653134 14.631273 15.707464 11.071378 11.277660 16.795917 15.228786 10.111009 8.770361 7.949898 8.839433 6.595451 5.759401 3.717597 2.263641 1.062796 12.740436 13.447795 12.144113 13.112487 14.288169 14.136948 15.195137 16.230544 11.803425 10.629639 10.517753 12.072542 10.886016 16.445360 17.262273 17.614210 14.589133 16.119766 14.742471 10.653973 8.350344 9.528898 8.390603 9.528146 6.198458 4.226199 4.226270 0.000000 C18H28O2 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 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:48nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.2499,-.1803,.0448;4.0037,-1.9633,-.548;-2.3881,2.4728,.0248;-3.2287,1.4225,-.7238;-4.1641,.5861,.1557;-5.0511,-.3608,-.6601;-6.0642,-1.1791,.1605;-1.5261,1.8725,1.1706;-1.5163,3.2665,-.9565;-7.0079,-1.9518,-.7712;-5.3792,-2.1389,1.1438;-.6156,.7656,.7329;.7224,.8506,.6864;1.6345,-.2064,.2452;1.0429,-1.5157,-.2054;2.9623,.0674,.2683;4.0588,-.8261,-.1274;6.4184,-.9504,-.3085;7.6011,-.1365,-.0759;8.5997,.5058,.1037;-3.0853,3.1732,.5034;-3.8262,1.9446,-1.4811;-2.561,.7547,-1.2831;-3.5747,.0075,.8735;-4.7992,1.2558,.7508;-4.4153,-1.0536,-1.2289;-5.5993,.2282,-1.4061;-6.6696,-.4709,.7433;-2.1954,1.4928,1.9511;-.9407,2.6783,1.6251;-.7841,2.6154,-1.4436;-2.1272,3.7288,-1.7371;-.9657,4.062,-.4455;-6.4476,-2.672,-1.3779;-7.5341,-1.2786,-1.4546;-7.7587,-2.5093,-.2035;-4.7683,-1.61,1.8792;-6.1185,-2.7286,1.6936;-4.7284,-2.8388,.6071;-1.1013,-.1554,.4229;1.1913,1.7816,.9992;.4538,-1.9565,.605;1.8059,-2.2237,-.5119;.3587,-1.3459,-1.0428;3.291,1.0422,.6104;6.3515,-1.2534,-1.3576;6.4476,-1.8644,.2919;9.4797,1.0796,.2649; 0.6662297 0.0843377 0.0776325 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= 1032 RedAO= T EigKep= 1.78D-06 NBF= 1032 NBsUse= 1029 1.00D-06 EigRej= 9.19D-07 NBFU= 1029 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= 1088 1088 1088 1088 1088 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -853.445834477063 -853.494349482810 -0.048515005748 -853.494381668571 -0.000032185761 -853.494544243988 -0.000162575417 -853.494559276295 -0.000015032308 -853.494564168112 -0.000004891816 -853.494564631551 -0.000000463439 -853.494564672007 -0.000000040456 -853.494564673882 -0.000000001874 -853.494564674122 -0.000000000240 -853.494564674320 -0.000000000198 -853.494564674299 0.000000000021 -853.494564674 12 8.492786631908e+02 -4.830502053358e+03 1.704103748962e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1412903154 LenY= 1411574898 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. PT13672.300S Wed Sep 4 22:01:07 2024 -19.17146 -19.11048 -10.30187 -10.25511 -10.21144 -10.18818 -10.18411 -10.18254 -10.18237 -10.18221 -10.17860 -10.17588 -10.17567 -10.16832 -10.16811 -10.16588 -10.16574 -10.15976 -10.15860 -10.15786 -1.10701 -1.01934 -0.84728 -0.82960 -0.81289 -0.79869 -0.77410 -0.74954 -0.73331 -0.70320 -0.69275 -0.68675 -0.67875 -0.63267 -0.60906 -0.58239 -0.56371 -0.55428 -0.54772 -0.53908 -0.50683 -0.49904 -0.49812 -0.48723 -0.47199 -0.46697 -0.46108 -0.44918 -0.44201 -0.44103 -0.43179 -0.42817 -0.41512 -0.41252 -0.40289 -0.39692 -0.38803 -0.38321 -0.38034 -0.37625 -0.36952 -0.36678 -0.36079 -0.35327 -0.34463 -0.34265 -0.32677 -0.32588 -0.32378 -0.31913 -0.31227 -0.30897 -0.30097 -0.28402 -0.27722 -0.24425 -0.07282 -0.00685 0.00072 0.00117 0.00587 0.00907 0.01248 0.01642 0.01867 0.02227 0.02581 0.03040 0.03221 0.03712 0.03797 0.04029 0.04474 0.04775 0.05153 0.05452 0.05827 0.06019 0.06119 0.06699 0.06800 0.07156 0.07539 0.07739 0.07919 0.08625 0.08803 0.09093 0.09293 0.09674 0.10017 0.10092 0.10294 0.10707 0.10894 0.11262 0.11405 0.11922 0.12341 0.12926 0.13442 0.13638 0.13744 0.14396 0.14632 0.14857 0.14984 0.15383 0.15533 0.15866 0.16060 0.16356 0.16682 0.17120 0.17358 0.17576 0.17854 0.17957 0.18145 0.18345 0.18560 0.18701 0.19272 0.19351 0.19626 0.19961 0.20183 0.20342 0.20582 0.20761 0.20875 0.20958 0.21306 0.21860 0.22121 0.22486 0.22523 0.22810 0.22970 0.23095 0.23352 0.23686 0.23773 0.24324 0.24482 0.24666 0.24978 0.25176 0.25554 0.25702 0.25978 0.26323 0.26704 0.26738 0.27361 0.27752 0.28008 0.28441 0.28977 0.29113 0.29248 0.29628 0.29980 0.30210 0.30424 0.30940 0.31297 0.31376 0.31813 0.32524 0.32704 0.32980 0.33337 0.33514 0.34335 0.34513 0.34714 0.34974 0.35449 0.36143 0.36414 0.36815 0.36939 0.37357 0.37494 0.37879 0.38104 0.38587 0.39041 0.39346 0.39602 0.39725 0.40083 0.40346 0.40917 0.41378 0.41958 0.42261 0.42511 0.42931 0.43163 0.43445 0.43618 0.44146 0.44881 0.45041 0.45213 0.45527 0.46104 0.46308 0.46795 0.46985 0.47818 0.47935 0.48262 0.48527 0.48644 0.50319 0.50610 0.51083 0.51319 0.51434 0.51680 0.52308 0.52868 0.52980 0.53435 0.53607 0.54000 0.54201 0.55025 0.55401 0.55751 0.56176 0.56259 0.56540 0.56723 0.57210 0.57465 0.58026 0.58376 0.58447 0.58674 0.58914 0.59272 0.59857 0.60002 0.60331 0.60883 0.61078 0.61444 0.61659 0.62198 0.62613 0.62740 0.63130 0.63355 0.63660 0.63979 0.64545 0.64689 0.65255 0.65821 0.66027 0.66323 0.66929 0.67065 0.67567 0.67987 0.68284 0.68684 0.69128 0.69424 0.69946 0.70557 0.70630 0.70898 0.71098 0.71607 0.71857 0.72069 0.72632 0.73211 0.73929 0.74383 0.74838 0.75614 0.76079 0.76330 0.76517 0.76868 0.77579 0.77834 0.78537 0.78861 0.80057 0.80922 0.81080 0.81373 0.82242 0.82491 0.82890 0.83628 0.84307 0.84828 0.85401 0.85488 0.85870 0.86331 0.86542 0.86846 0.88042 0.88230 0.89039 0.89215 0.90051 0.90787 0.91311 0.91665 0.91695 0.92591 0.93536 0.94500 0.95458 0.96426 0.96499 0.97441 0.97733 0.98237 0.98391 0.99631 1.00145 1.00693 1.01335 1.02289 1.02633 1.02971 1.03510 1.03660 1.04462 1.04902 1.05118 1.05940 1.06350 1.06859 1.07408 1.08008 1.08456 1.08771 1.09213 1.09819 1.10245 1.10423 1.10648 1.11124 1.11488 1.11788 1.12792 1.13360 1.13753 1.14030 1.14650 1.14790 1.15401 1.15793 1.16400 1.16636 1.16825 1.17594 1.18084 1.18616 1.18964 1.19140 1.19467 1.19531 1.20050 1.20319 1.21013 1.21036 1.21342 1.22008 1.22622 1.22899 1.23085 1.23632 1.23941 1.24186 1.24455 1.25654 1.25987 1.26880 1.27456 1.27835 1.28136 1.28738 1.29148 1.29621 1.30050 1.30622 1.31261 1.31658 1.32833 1.33670 1.34172 1.35002 1.35570 1.35676 1.35884 1.36946 1.37390 1.37748 1.38441 1.39106 1.39327 1.39743 1.40010 1.40413 1.40660 1.40998 1.41348 1.41745 1.42147 1.42540 1.43024 1.43553 1.43879 1.44533 1.44936 1.45404 1.46356 1.46764 1.47242 1.47577 1.48057 1.48377 1.48972 1.49358 1.49883 1.50446 1.50572 1.51415 1.52103 1.52333 1.52890 1.53468 1.53669 1.54436 1.54671 1.55400 1.55757 1.56247 1.57150 1.57375 1.57871 1.58634 1.58898 1.59887 1.60406 1.61247 1.61421 1.62117 1.62356 1.63419 1.63694 1.64128 1.65338 1.66273 1.67112 1.67710 1.69064 1.69320 1.69961 1.70324 1.70926 1.72673 1.73148 1.73411 1.74061 1.74564 1.75179 1.75702 1.75975 1.76903 1.77731 1.78748 1.78868 1.79794 1.80536 1.81480 1.82154 1.83786 1.84676 1.85125 1.87353 1.87467 1.88302 1.89595 1.90251 1.90799 1.91430 1.92966 1.93802 1.94383 1.95704 1.97222 1.98006 1.98679 1.99328 1.99670 2.00575 2.01747 2.03300 2.04379 2.04623 2.05108 2.05900 2.06592 2.07123 2.07346 2.08751 2.08789 2.09781 2.10642 2.11688 2.12688 2.13819 2.13939 2.14446 2.15839 2.17263 2.17978 2.18603 2.18898 2.19851 2.20778 2.22399 2.22775 2.23978 2.25397 2.25563 2.28215 2.29193 2.29514 2.31817 2.34180 2.34439 2.36067 2.36803 2.38282 2.39163 2.40897 2.42051 2.43538 2.43979 2.44574 2.45196 2.46587 2.48483 2.49949 2.51880 2.53248 2.54833 2.56502 2.59267 2.63268 2.63838 2.66252 2.67239 2.69399 2.69757 2.70840 2.72431 2.73183 2.73663 2.74003 2.74989 2.75985 2.76392 2.76746 2.77166 2.78115 2.79034 2.79132 2.80667 2.81298 2.82231 2.82929 2.83269 2.84390 2.85194 2.85999 2.86742 2.87315 2.87650 2.88516 2.88707 2.89071 2.90936 2.91182 2.91797 2.92609 2.93050 2.93858 2.94688 2.94937 2.95337 2.95819 2.96910 2.97282 2.98761 2.99518 3.00309 3.00779 3.01274 3.01654 3.02261 3.03363 3.05066 3.05359 3.06229 3.06762 3.07283 3.07936 3.08661 3.08887 3.09570 3.10197 3.10778 3.11188 3.11863 3.12350 3.13398 3.14226 3.14929 3.15692 3.16173 3.16228 3.16384 3.17405 3.17762 3.18238 3.18902 3.19991 3.20423 3.21668 3.22154 3.22444 3.22794 3.23514 3.23733 3.24782 3.25137 3.25848 3.26064 3.27941 3.28696 3.28923 3.29388 3.30446 3.31377 3.31570 3.32101 3.32749 3.33026 3.33735 3.35359 3.35790 3.36886 3.37081 3.37892 3.38095 3.38836 3.40587 3.41061 3.41626 3.42630 3.43417 3.43478 3.44711 3.45204 3.47811 3.47949 3.49035 3.51037 3.51828 3.52691 3.53911 3.55886 3.56059 3.57192 3.57561 3.58292 3.58930 3.60718 3.62904 3.64588 3.65592 3.66427 3.67415 3.68469 3.69322 3.69870 3.70235 3.70670 3.71750 3.71928 3.72852 3.75086 3.76946 3.77252 3.79356 3.80944 3.81808 3.82341 3.83482 3.84756 3.85732 3.87354 3.88298 3.88742 3.88988 3.89313 3.90681 3.91480 3.92736 3.93224 3.93856 3.94051 3.94821 3.95882 3.97352 3.97935 3.98417 4.00418 4.00758 4.01841 4.02874 4.04319 4.06176 4.08092 4.09919 4.12339 4.13165 4.15263 4.16990 4.17328 4.19874 4.21014 4.21782 4.23726 4.24211 4.25867 4.27109 4.28396 4.28402 4.29891 4.30462 4.31265 4.31860 4.32562 4.33595 4.33789 4.34453 4.34712 4.34855 4.36005 4.36123 4.36727 4.37405 4.37930 4.38511 4.39419 4.39824 4.40690 4.41737 4.41959 4.43187 4.43515 4.43991 4.45122 4.45889 4.47098 4.48733 4.50050 4.50968 4.52001 4.52699 4.52961 4.53948 4.54386 4.55137 4.55473 4.56575 4.56939 4.58107 4.58487 4.58797 4.59300 4.60303 4.61619 4.62125 4.63114 4.63490 4.65031 4.65629 4.66148 4.67053 4.67582 4.68966 4.70230 4.70864 4.72182 4.72559 4.73623 4.75847 4.76190 4.76998 4.78123 4.79647 4.80548 4.81262 4.81624 4.82953 4.83956 4.87615 4.90745 4.92559 4.94073 4.95113 4.96711 5.00596 5.08384 5.08964 5.11394 5.14474 5.15655 5.20469 5.21348 5.26027 5.34117 5.35046 5.36055 5.39270 5.40335 5.45302 5.46944 5.47231 5.50267 5.51882 5.53581 5.55099 5.57540 5.58214 5.58395 5.59559 5.64469 5.67300 5.68018 5.70795 5.74689 5.76489 5.76853 5.77349 5.77695 5.79981 5.80528 5.81218 5.81555 5.81891 5.82733 5.83359 5.86676 5.87921 5.88232 5.89443 5.90994 5.91187 5.95393 5.96219 5.97324 6.03593 6.11606 6.21026 6.32558 6.34561 6.43178 6.57163 6.94002 6.97157 7.00106 7.04392 7.09076 7.10895 7.11736 7.13590 7.15381 7.15943 7.17168 7.19175 7.20554 7.21619 7.24218 7.25240 7.27096 7.28898 7.30001 7.30947 7.31466 7.32812 7.33242 7.33374 7.33929 7.35561 7.37433 7.38007 7.38773 7.39326 7.40326 7.42084 7.43086 7.45654 7.49724 7.51008 7.51734 7.52745 7.55842 7.58159 7.59689 7.59735 7.62905 7.64011 7.65750 7.67421 7.70218 7.72211 7.74948 7.76089 7.77881 7.79292 7.79950 7.82911 7.83786 7.89420 7.93396 7.95767 7.96018 7.97684 7.99207 8.00096 8.02633 8.05522 8.06923 8.07897 8.11480 8.12037 8.13711 8.14288 8.16094 8.17858 8.22665 8.27032 8.27957 8.28463 8.33122 8.34897 8.35715 8.39610 8.43917 8.44671 8.47075 8.50758 8.53183 8.55357 8.65365 8.68052 8.71428 8.73725 8.79241 8.82882 14.38713 14.41243 14.46202 14.50337 14.52990 14.68773 14.81017 14.95677 15.07394 15.22420 23.97241 24.23893 24.27798 24.32566 24.36614 24.39346 24.43788 24.45926 24.50591 24.52505 24.53230 24.53584 24.61532 24.67990 25.09270 25.63942 25.73955 27.03258 50.20797 50.48612 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 O O 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 H H H H H H H H H -0.558999 -0.744389 0.094306 -0.420588 -0.238550 -0.411811 0.047038 -0.373638 -0.474947 -0.434745 -0.537798 -0.171371 -0.236297 0.721549 -0.715821 -0.380586 0.705574 -0.040397 0.159070 -0.259947 0.110979 0.130925 0.184309 0.148741 0.134873 0.152970 0.135840 0.122424 0.168832 0.124846 0.170964 0.138454 0.138237 0.148559 0.140359 0.137974 0.150637 0.141624 0.152712 0.162623 0.119842 0.174083 0.193754 0.174345 0.127610 0.178604 0.178476 0.228751 -0.00000 -2.2519 1.5925 0.5741 2.8172 -120.2450 -127.8618 -128.3484 3.5600 0.3226 0.2979 5.2401 -2.3767 -2.8633 3.5600 0.3226 0.2979 120.9456 9.3657 -5.4621 -0.4083 42.8700 12.9783 2.9358 -2.1751 7.9676 1.5112 -14745.8906 -2038.0103 -545.0034 304.3594 34.0425 -12.8090 9.2426 -26.8451 6.4317 -3031.8488 -2870.0261 -425.6267 -2.1954 20.1699 -28.8781 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CIBELES25 ALCAMI 2024-09-04T00:00:00.000 0 Single Point Kinoprene CONF342 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-853.4945647 RMSD=1.711e-09 Dipole=-1.1077374,-0.0271504,0.0256261 Quadrupole=-0.3500142,1.3919805,-1.0419662,-2.8781284,2.0559948,-2.1081555 PG=C01 [X(C18H28O2)] 0 4.2370392431 -2.5603172046 1.109559073 0 4.2965542833 -0.5627790497 0.0656688641 0 -3.4342990135 -0.0100033918 0.954241991 0 -3.4048936553 1.4878532915 0.599578183 0 -3.9002973428 1.8362085095 -0.8080347384 0 -3.9506922624 3.3472770911 -1.0587369896 0 -4.5073751481 3.7654475801 -2.4315260211 0 -2.6403449573 -0.8976880784 -0.0447744124 0 -2.947147667 -0.2346100706 2.3912777085 0 -4.6740787309 5.2896316237 -2.4998011343 0 -3.6318307034 3.2705772207 -3.5917133355 0 -1.2111597424 -0.484476463 -0.2247908934 0 -0.1525252212 -1.1929637236 0.196073025 0 1.2518647601 -0.8050569078 0.0513884747 0 1.563478485 0.5042588853 -0.6238851145 0 2.18652472 -1.6558577756 0.5425516866 0 3.644675405 -1.4815767073 0.5174474197 0 5.6791535968 -2.5178825415 1.1522343755 0 6.161936353 -3.7226930994 1.8083282898 0 6.5972039848 -4.7047510309 2.3451358391 0 -4.4789134976 -0.3428325572 0.8933626936 0 -4.0197254199 2.0216482584 1.3343937952 0 -2.3854447884 1.8722726314 0.7322639546 0 -3.2536744674 1.3632014721 -1.5533581957 0 -4.9013325611 1.4099495954 -0.9571020265 0 -2.9419903132 3.7680483648 -0.9434298143 0 -4.5634415061 3.8121126056 -0.2761865129 0 -5.5023153974 3.3113480694 -2.5392904642 0 -3.1433105423 -0.866500548 -1.0181050727 0 -2.6872029447 -1.9361845799 0.2986882111 0 -1.8987264565 0.0593197984 2.4990596293 0 -3.5360958961 0.3537728743 3.1006943929 0 -3.0285097931 -1.2871952854 2.6786924635 0 -3.7046948966 5.7893937888 -2.3938366159 0 -5.3268551837 5.6562433443 -1.7019454713 0 -5.104717297 5.6001201191 -3.4563427389 0 -3.566383341 2.1803930589 -3.6237507282 0 -4.0321760797 3.6043648594 -4.5534413057 0 -2.6136529962 3.6660060756 -3.500315574 0 -1.0503179387 0.4679340199 -0.7220374628 0 -0.3330379523 -2.1439225854 0.693658905 0 1.1528330444 0.506748485 -1.6385016464 0 2.6308061444 0.6925830526 -0.6751056528 0 1.0833352184 1.3254372875 -0.0822095089 0 1.8617121826 -2.5770451824 1.0127465396 0 6.0014916143 -1.6221665313 1.6913526253 0 6.0716369226 -2.4422414956 0.1338417794 0 6.9759425806 -5.5762501972 2.8211416283