Gaussian 16 GINC-HAMILTON26 ALCAMI Optimization Hydroprene CONF222 octanol EM64L-G16RevC.01 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 74 74 598 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C17H30O2)] C1[X(C17H30O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 236.1806999999999 0 1 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3834,-2.2541,1.2237;3.8749,-2.5896,-.921;-3.4341,-.1288,.176;-2.6038,1.1553,.2088;-3.167,2.3009,-.6245;-2.2367,3.5091,-.6469;-2.6691,4.6412,-1.5798;-2.6776,-1.2918,.8383;-4.7965,.0476,.8355;-3.9944,5.2657,-1.1567;-1.5825,5.7073,-1.6604;-1.4247,-1.6487,.1144;-.205,-1.6808,.6617;1.0276,-2.0137,-.0495;.9202,-2.3055,-1.5125;2.1664,-2.0257,.6773;3.5231,-2.3213,.2075;5.766,-2.5171,.9521;6.5212,-2.4046,2.2523;-3.5979,-.3995,-.875;-1.593,.9363,-.1507;-2.4872,1.4793,1.2504;-4.1497,2.5937,-.2457;-3.3271,1.9507,-1.651;-2.1268,3.9058,.3699;-1.2376,3.1732,-.9467;-2.7988,4.2163,-2.583;-3.3357,-2.1685,.8465;-2.4612,-1.0511,1.8839;-4.6924,.3316,1.8859;-5.3928,.818,.3448;-5.3758,-.8773,.8001;-3.9297,5.6727,-.1439;-4.8156,4.5474,-1.1703;-4.275,6.0853,-1.8216;-1.4099,6.1692,-.6847;-.6323,5.2871,-1.9967;-1.8534,6.5045,-2.3558;-1.5505,-1.8883,-.9383;-.0994,-1.4391,1.716;1.8724,-2.5309,-1.9756;.4813,-1.4531,-2.0347;.2525,-3.1529,-1.6799;2.0913,-1.7949,1.7341;6.1439,-1.7983,.2212;5.8772,-3.5169,.5259;6.1693,-3.1286,2.988;7.5774,-2.6039,2.0699;6.4415,-1.4055,2.682; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6491495/Gau-1068082.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6491495/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 Hydroprene CONF222 octanol 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 16 16 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 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 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 1.0078250 1.0078250 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 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 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 19 19 17 18 17 4 8 9 20 5 21 22 6 23 24 7 25 26 10 11 27 12 28 29 30 31 32 33 34 35 36 37 38 13 39 14 40 15 16 41 42 43 17 44 19 45 46 47 48 49 1.3332 1.4334 1.2122 1.5294 1.5374 1.5239 1.0976 1.5245 1.095 1.0971 1.525 1.0931 1.0964 1.5294 1.0969 1.0958 1.5249 1.5244 1.0971 1.4904 1.0963 1.0945 1.0932 1.0907 1.0919 1.0935 1.0911 1.0921 1.0933 1.0921 1.092 1.3373 1.0869 1.4614 1.0868 1.4957 1.351 1.0826 1.0917 1.0918 1.4659 1.0843 1.5079 1.0926 1.0925 1.0906 1.0902 1.0905 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 17 4 4 4 8 8 9 3 3 3 5 5 21 4 4 4 6 6 23 5 5 5 7 7 25 6 6 6 10 10 11 3 3 3 12 12 28 3 3 3 30 30 31 7 7 7 33 33 34 7 7 7 36 36 37 8 8 13 12 12 14 13 13 15 14 14 14 41 41 42 14 14 17 1 1 2 1 1 1 19 19 45 18 18 18 47 47 48 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 19 19 19 19 19 19 18 8 9 20 9 20 20 5 21 22 21 22 22 6 23 24 23 24 24 7 25 26 25 26 26 10 11 27 11 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 13 39 39 14 40 40 15 16 16 41 42 43 42 43 43 17 44 44 2 16 16 19 45 46 45 46 46 47 48 49 48 49 49 117.9502 111.023 112.2628 107.9797 109.941 107.4211 108.0274 114.7485 109.0318 109.0276 108.1721 109.6582 105.8231 112.2093 110.1161 109.0121 109.9569 109.1723 106.1836 115.0162 109.5174 108.5054 109.0256 108.5265 105.8506 112.3115 110.3879 107.7303 110.3498 108.0339 107.8622 112.6777 108.2263 110.0279 108.4688 110.5166 106.7048 111.1467 112.0764 111.2374 107.51 107.5579 107.0796 110.9814 112.4025 111.2103 107.5206 107.4399 107.0417 111.1568 111.5587 111.5572 107.458 107.3988 107.4913 125.0069 115.2118 119.7799 125.1366 118.708 116.1548 117.3811 116.8204 125.7981 113.3209 110.1479 110.1997 108.158 108.1027 106.6632 127.5594 117.6449 114.7955 122.2456 110.0458 127.7083 107.8174 109.8553 109.8812 110.7624 110.7145 107.8146 111.7523 109.1082 111.8089 107.704 108.5956 107.7083 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 18 18 17 17 17 8 8 8 9 9 9 20 20 20 4 4 4 9 9 9 20 20 20 4 4 4 8 8 8 20 20 20 3 3 3 21 21 21 22 22 22 4 4 4 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 3 3 28 28 29 29 8 8 39 39 12 12 40 40 13 13 13 16 16 16 13 13 15 15 14 14 44 44 1 1 1 45 45 45 46 46 46 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 18 18 18 18 18 18 18 18 18 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 19 19 19 19 19 19 19 19 19 2 16 19 45 46 5 21 22 5 21 22 5 21 22 12 28 29 12 28 29 12 28 29 30 31 32 30 31 32 30 31 32 6 23 24 6 23 24 6 23 24 7 25 26 7 25 26 7 25 26 10 11 27 10 11 27 10 11 27 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 13 39 13 39 13 39 14 40 14 40 15 16 15 16 41 42 43 41 42 43 17 44 17 44 1 2 1 2 47 48 49 47 48 49 47 48 49 -0.2684 179.9161 -178.9944 60.2119 -58.2436 170.2959 48.8104 -66.2811 -66.1905 172.3241 57.2325 52.784 -68.7015 176.207 -63.5836 176.4784 60.2381 171.5829 51.645 -64.5954 54.2681 -65.6698 178.0898 -60.3398 59.9915 179.836 63.7772 -175.8915 -56.047 -179.2863 -58.955 60.8895 -175.1198 62.0497 -54.0639 -53.1662 -175.9967 67.8898 61.7948 -61.0357 -177.1493 173.9806 -62.8525 52.2487 -63.0991 60.0678 175.1691 53.017 176.1838 -68.7149 63.7852 -172.6054 -55.0651 -59.6434 63.9659 -178.4938 -174.4943 -50.8849 66.6554 59.2158 -61.2372 178.7627 -64.4149 175.1321 55.1321 177.8876 57.4346 -62.5654 -62.6201 57.3 177.536 62.1177 -177.9622 -57.7262 179.9209 -60.159 60.077 123.9562 -55.6008 -116.2459 64.1971 0.4052 -179.1518 -179.173 0.5232 0.3651 -179.9386 1.7336 -178.4754 -177.9696 1.8214 179.2435 57.9345 -59.4811 -0.5266 -121.8356 120.7487 -179.8118 0.3455 -0.0405 -179.8832 -179.0167 1.1806 0.8298 -178.9729 60.8553 179.8506 -61.1139 -178.9207 -59.9254 59.1101 -59.372 59.6233 178.6588 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 617 A 598 A 924 617 1371.0198861810 49 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= 598 RedAO= T EigKep= 1.42D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.28D-07 NBFU= 597 Berny optimization. local minimum Step number 13 out of a maximum of 260 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00170 0.00331 0.00349 0.00389 0.00427 0.00434 0.00441 0.00443 0.00447 0.00657 0.00827 0.01083 0.01189 0.01273 0.01605 0.01755 0.02019 0.02147 0.02535 0.02666 0.03079 0.03356 0.03380 0.03570 0.03600 0.03747 0.04084 0.04701 0.04763 0.04793 0.04815 0.04876 0.04974 0.05027 0.05309 0.05446 0.05489 0.05496 0.05506 0.05561 0.05586 0.05598 0.05614 0.05722 0.05917 0.06871 0.07112 0.07530 0.08356 0.08753 0.08786 0.09538 0.11216 0.12208 0.12490 0.12531 0.13008 0.13594 0.14677 0.15866 0.15976 0.15997 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16005 0.16021 0.16033 0.16063 0.16085 0.16140 0.16675 0.16872 0.17042 0.17232 0.20758 0.21706 0.21896 0.21987 0.22036 0.22101 0.22670 0.23289 0.23594 0.25090 0.25339 0.26882 0.28920 0.29489 0.29725 0.29837 0.29920 0.30017 0.30258 0.30810 0.31623 0.31892 0.33234 0.33623 0.33971 0.34011 0.34028 0.34044 0.34098 0.34101 0.34156 0.34274 0.34305 0.34419 0.34443 0.34468 0.34500 0.34509 0.34521 0.34573 0.34578 0.34592 0.34600 0.34624 0.34674 0.34727 0.34734 0.34755 0.34778 0.34838 0.34966 0.35202 0.35337 0.35480 0.36140 0.39678 0.44049 0.54795 0.58693 0.60368 0.95520 -1.50252132e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 2.56102 2.74625 2.31057 2.90779 2.92789 2.89803 2.07665 2.89669 2.07150 2.07700 2.89701 2.06666 2.07582 2.90896 2.07713 2.07425 2.89987 2.89907 2.07675 2.82793 2.07537 2.07147 2.07171 2.06520 2.06876 2.07249 2.06598 2.06923 2.07208 2.06928 2.06923 2.53790 2.05577 2.76615 2.05687 2.84176 2.56819 2.05055 2.06896 2.06853 2.76865 2.04964 2.85791 2.06514 2.06510 2.06598 2.06683 2.06597 2.04434 1.93605 1.96010 1.88495 1.91467 1.87694 1.88839 2.00734 1.89942 1.89608 1.89356 1.90967 1.85148 1.96316 1.91640 1.90452 1.91332 1.90532 1.85810 2.01132 1.90700 1.89615 1.89756 1.89256 1.85275 1.96166 1.92690 1.87867 1.92560 1.88485 1.88340 1.98252 1.88390 1.90879 1.89002 1.92684 1.86770 1.93184 1.95249 1.93827 1.88066 1.88127 1.87642 1.93056 1.95811 1.93584 1.88154 1.87910 1.87564 1.93278 1.94481 1.94312 1.87989 1.87869 1.88174 2.17836 2.01315 2.09159 2.19500 2.06549 2.02267 2.06177 2.04342 2.17799 1.96152 1.91828 1.91906 1.89794 1.89901 1.86535 2.23085 2.06535 1.98698 2.12478 1.91608 2.24232 1.87325 1.89539 1.89582 1.95319 1.95290 1.89177 1.93706 1.90916 1.93716 1.89070 1.89804 1.89055 0.00053 -3.13975 -3.13737 1.03119 -1.02284 3.01160 0.88350 -1.12501 -1.12199 3.03310 1.02458 0.95884 -1.16926 3.10541 -1.12731 3.05995 1.03383 2.98032 0.88439 -1.14172 0.93033 -1.16559 3.09147 -1.03968 1.05793 -3.12864 1.12188 -3.06370 -0.96708 -3.11849 -1.02088 1.07574 -3.07683 1.07066 -0.95973 -0.94557 -3.08127 1.17153 1.06705 -1.06864 -3.09903 3.06197 -1.07919 0.93492 -1.08378 1.05824 3.07236 0.94533 3.08735 -1.18172 1.09257 -3.03245 -0.98074 -1.05447 1.10369 -3.12779 -3.06163 -0.90347 1.14824 1.02423 -1.07739 3.10804 -1.13465 3.04692 0.94916 3.09392 0.99230 -1.10545 -1.09448 0.99768 3.09918 1.08440 -3.10663 -1.00513 3.13991 -1.05112 1.05038 2.09373 -1.03405 -2.09700 1.05840 -0.05756 3.09784 -3.12910 0.00399 -0.00190 3.13119 -0.00433 3.13315 -3.13760 -0.00012 -3.12917 1.03777 -1.01101 0.01688 -2.09937 2.13504 -3.13440 0.00682 0.00278 -3.13919 -3.12779 0.01522 0.01416 -3.12601 1.05693 -3.14103 -1.05593 3.13477 -1.06319 1.02191 -1.02126 1.06397 -3.13412 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -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 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 0.00001 0.00002 0.00006 0.00006 0.00005 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00007 -0.00008 -0.00008 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00017 -0.00015 -0.00017 -0.00015 -0.00016 -0.00014 0.00002 0.00001 0.00001 -0.00001 -0.00002 -0.00004 -0.00001 -0.00003 0.00011 0.00011 0.00011 0.00013 0.00013 0.00013 0.00003 0.00002 0.00001 -0.00000 0.00004 0.00004 0.00005 0.00005 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 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 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 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 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00002 0.00001 0.00001 -0.00002 -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 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00011 0.00012 0.00013 -0.00004 -0.00005 -0.00005 -0.00003 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00003 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00003 -0.00002 -0.00001 -0.00007 -0.00007 -0.00006 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00005 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00008 -0.00008 -0.00008 -0.00007 0.00003 0.00002 0.00002 0.00003 0.00002 0.00002 0.00003 0.00001 0.00002 -0.00003 -0.00003 -0.00002 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00003 0.00003 0.00002 0.00002 0.00002 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00020 0.00021 0.00021 0.00022 0.00019 0.00019 0.00000 -0.00002 -0.00000 -0.00003 -0.00011 -0.00001 -0.00009 0.00001 0.00015 0.00016 0.00016 0.00004 0.00005 0.00005 -0.00005 -0.00002 0.00006 0.00009 0.00017 0.00017 0.00013 0.00013 0.00004 0.00004 0.00004 0.00003 0.00002 0.00002 0.00003 0.00003 0.00003 0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -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 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00017 0.00018 0.00018 -0.00007 -0.00008 -0.00008 -0.00007 -0.00008 -0.00008 -0.00008 -0.00009 -0.00009 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00008 -0.00009 -0.00009 -0.00009 -0.00010 -0.00010 -0.00010 -0.00010 -0.00011 -0.00010 -0.00009 -0.00010 -0.00009 -0.00012 -0.00013 -0.00013 -0.00011 -0.00011 -0.00011 -0.00011 -0.00011 -0.00011 0.00004 0.00002 0.00002 0.00004 0.00002 0.00003 0.00004 0.00002 0.00002 -0.00002 -0.00002 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00004 0.00005 0.00004 0.00004 0.00005 0.00004 0.00003 0.00004 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00003 0.00006 0.00004 0.00006 0.00003 0.00005 0.00003 -0.00001 0.00000 -0.00003 -0.00013 -0.00005 -0.00009 -0.00001 0.00026 0.00027 0.00027 0.00017 0.00018 0.00018 -0.00002 0.00000 0.00006 0.00009 0.00020 0.00021 0.00018 0.00019 0.00004 0.00004 0.00004 0.00002 0.00001 0.00001 0.00003 0.00003 0.00003 2.56102 2.74626 2.31057 2.90779 2.92789 2.89803 2.07665 2.89669 2.07151 2.07700 2.89701 2.06666 2.07582 2.90895 2.07713 2.07425 2.89987 2.89908 2.07675 2.82793 2.07537 2.07148 2.07171 2.06521 2.06876 2.07249 2.06599 2.06924 2.07209 2.06928 2.06923 2.53790 2.05577 2.76615 2.05687 2.84175 2.56819 2.05056 2.06896 2.06854 2.76866 2.04964 2.85790 2.06515 2.06510 2.06598 2.06683 2.06597 2.04433 1.93605 1.96008 1.88496 1.91468 1.87694 1.88839 2.00734 1.89943 1.89608 1.89357 1.90966 1.85148 1.96316 1.91640 1.90452 1.91332 1.90532 1.85809 2.01132 1.90700 1.89616 1.89756 1.89257 1.85275 1.96164 1.92691 1.87867 1.92560 1.88485 1.88341 1.98253 1.88391 1.90879 1.89001 1.92684 1.86770 1.93184 1.95250 1.93827 1.88065 1.88127 1.87642 1.93056 1.95810 1.93584 1.88154 1.87910 1.87564 1.93279 1.94481 1.94312 1.87989 1.87869 1.88174 2.17836 2.01315 2.09159 2.19500 2.06549 2.02267 2.06177 2.04343 2.17798 1.96151 1.91828 1.91906 1.89793 1.89902 1.86536 2.23084 2.06536 1.98698 2.12478 1.91609 2.24232 1.87325 1.89537 1.89582 1.95320 1.95291 1.89177 1.93706 1.90916 1.93716 1.89070 1.89804 1.89055 0.00053 -3.13975 -3.13719 1.03137 -1.02266 3.01153 0.88342 -1.12510 -1.12206 3.03302 1.02450 0.95876 -1.16935 3.10531 -1.12741 3.05985 1.03373 2.98023 0.88431 -1.14181 0.93024 -1.16569 3.09139 -1.03978 1.05782 -3.12873 1.12178 -3.06381 -0.96718 -3.11858 -1.02098 1.07565 -3.07696 1.07053 -0.95986 -0.94569 -3.08138 1.17141 1.06694 -1.06875 -3.09914 3.06201 -1.07917 0.93495 -1.08374 1.05826 3.07238 0.94537 3.08737 -1.18170 1.09256 -3.03247 -0.98075 -1.05447 1.10368 -3.12778 -3.06164 -0.90348 1.14824 1.02427 -1.07734 3.10809 -1.13461 3.04696 0.94921 3.09395 0.99234 -1.10542 -1.09446 0.99770 3.09920 1.08441 -3.10662 -1.00512 3.13992 -1.05111 1.05039 2.09376 -1.03400 -2.09696 1.05847 -0.05754 3.09789 -3.12908 0.00397 -0.00189 3.13116 -0.00446 3.13310 -3.13770 -0.00013 -3.12891 1.03804 -1.01074 0.01705 -2.09919 2.13522 -3.13442 0.00682 0.00285 -3.13910 -3.12759 0.01543 0.01434 -3.12582 1.05697 -3.14099 -1.05589 3.13479 -1.06318 1.02192 -1.02123 1.06399 -3.13409 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.001427 0.000279 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.119362e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 19 19 17 18 17 4 8 9 20 5 21 22 6 23 24 7 25 26 10 11 27 12 28 29 30 31 32 33 34 35 36 37 38 13 39 14 40 15 16 41 42 43 17 44 19 45 46 47 48 49 1.3552 1.4533 1.2227 1.5387 1.5494 1.5336 1.0989 1.5329 1.0962 1.0991 1.533 1.0936 1.0985 1.5394 1.0992 1.0976 1.5345 1.5341 1.099 1.4965 1.0982 1.0962 1.0963 1.0929 1.0947 1.0967 1.0933 1.095 1.0965 1.095 1.095 1.343 1.0879 1.4638 1.0885 1.5038 1.359 1.0851 1.0948 1.0946 1.4651 1.0846 1.5123 1.0928 1.0928 1.0933 1.0937 1.0933 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 17 4 4 4 8 8 9 3 3 3 5 5 21 4 4 4 6 6 23 5 5 5 7 7 25 6 6 6 10 10 11 3 3 3 12 12 28 3 3 3 30 30 31 7 7 7 33 33 34 7 7 7 36 36 37 8 8 13 12 12 14 13 13 15 14 14 14 41 41 42 14 14 17 1 1 2 1 1 1 19 19 45 18 18 18 47 47 48 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 19 19 19 19 19 19 18 8 9 20 9 20 20 5 21 22 21 22 22 6 23 24 23 24 24 7 25 26 25 26 26 10 11 27 11 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 13 39 39 14 40 40 15 16 16 41 42 43 42 43 43 17 44 44 2 16 16 19 45 46 45 46 46 47 48 49 48 49 49 117.1319 110.9276 112.3054 107.9997 109.7025 107.5406 108.1968 115.0123 108.8285 108.6376 108.4932 109.4159 106.082 112.4808 109.8018 109.1209 109.625 109.1667 106.461 115.2404 109.2632 108.6412 108.7223 108.4358 106.1547 112.3948 110.4033 107.64 110.3286 107.9941 107.9108 113.5899 107.9395 109.3656 108.2904 110.3996 107.0116 110.6863 111.8696 111.0547 107.7537 107.7889 107.5109 110.613 112.1912 110.9153 107.8041 107.6643 107.466 110.7404 111.4293 111.3329 107.7099 107.6413 107.8158 124.8109 115.345 119.8393 125.764 118.3439 115.8905 118.1306 117.0792 124.7897 112.3866 109.9095 109.9538 108.7441 108.8054 106.8769 127.8183 118.3361 113.8456 121.7411 109.7833 128.4756 107.3292 108.5981 108.6223 111.9096 111.893 108.3902 110.9854 109.3871 110.9908 108.329 108.7495 108.3204 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 18 18 17 17 17 8 8 8 9 9 9 20 20 20 4 4 4 9 9 9 20 20 20 4 4 4 8 8 8 20 20 20 3 3 3 21 21 21 22 22 22 4 4 4 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 3 3 28 28 29 29 8 8 39 39 12 12 40 40 13 13 13 16 16 16 13 13 15 15 14 14 44 44 1 1 1 45 45 45 46 46 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 18 18 18 18 18 18 18 18 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 19 19 19 19 19 19 19 19 2 16 19 45 46 5 21 22 5 21 22 5 21 22 12 28 29 12 28 29 12 28 29 30 31 32 30 31 32 30 31 32 6 23 24 6 23 24 6 23 24 7 25 26 7 25 26 7 25 26 10 11 27 10 11 27 10 11 27 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 13 39 13 39 13 39 14 40 14 40 15 16 15 16 41 42 43 41 42 43 17 44 17 44 1 2 1 2 47 48 49 47 48 49 47 48 0.0303 -179.8947 -179.7578 59.0829 -58.6046 172.552 50.6209 -64.4585 -64.2851 173.7838 58.7044 54.9373 -66.9938 177.9268 -64.5901 175.322 59.234 170.76 50.6721 -65.4159 53.3042 -66.7837 177.1283 -59.5691 60.6146 -179.2577 64.279 -175.5373 -55.4096 -178.6761 -58.4924 61.6353 -176.2896 61.3443 -54.9886 -54.1774 -176.5436 67.1235 61.1377 -61.2284 -177.5613 175.4382 -61.8333 53.5672 -62.0959 60.6326 176.0331 54.1634 176.8919 -67.7076 62.5999 -173.7468 -56.1924 -60.4167 63.2366 -179.209 -175.4186 -51.7653 65.7891 58.6841 -61.7296 178.0778 -65.0108 174.5755 54.3829 177.2684 56.8546 -63.3379 -62.7089 57.1627 177.5697 62.1316 -177.9969 -57.5899 179.9037 -60.2247 60.1823 119.9619 -59.247 -120.1491 60.642 -3.2982 177.493 -179.2843 0.2285 -0.1086 179.4042 -0.2482 179.5165 -179.7715 -0.0068 -179.288 59.4597 -57.9265 0.9671 -120.2852 122.3287 -179.5879 0.3906 0.1594 -179.8621 -179.2093 0.8722 0.8114 -179.1071 60.5575 -179.9678 -60.5004 179.609 -60.9163 58.5511 -58.514 60.9607 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0441266886 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3834,-2.2541,1.2237;3.8749,-2.5896,-.921;-3.4341,-.1287,.176;-2.6038,1.1553,.2088;-3.167,2.3009,-.6245;-2.2367,3.5091,-.6469;-2.6691,4.6412,-1.5798;-2.6776,-1.2918,.8383;-4.7965,.0476,.8355;-3.9944,5.2657,-1.1567;-1.5825,5.7073,-1.6604;-1.4247,-1.6487,.1144;-.205,-1.6808,.6617;1.0276,-2.0137,-.0495;.9202,-2.3055,-1.5125;2.1664,-2.0257,.6773;3.5231,-2.3213,.2075;5.766,-2.5172,.9521;6.5212,-2.4046,2.2523;-3.5979,-.3995,-.875;-1.593,.9363,-.1507;-2.4872,1.4793,1.2504;-4.1497,2.5937,-.2457;-3.3271,1.9508,-1.6511;-2.1268,3.9058,.3699;-1.2376,3.1732,-.9467;-2.7988,4.2163,-2.583;-3.3357,-2.1685,.8465;-2.4612,-1.0511,1.8839;-4.6924,.3316,1.8859;-5.3928,.818,.3448;-5.3758,-.8773,.8001;-3.9297,5.6727,-.1439;-4.8156,4.5474,-1.1703;-4.275,6.0853,-1.8216;-1.4099,6.1692,-.6847;-.6323,5.2871,-1.9967;-1.8534,6.5045,-2.3558;-1.5504,-1.8883,-.9383;-.0994,-1.4391,1.716;1.8724,-2.5309,-1.9756;.4813,-1.4531,-2.0347;.2525,-3.1529,-1.6799;2.0913,-1.7949,1.7341;6.1439,-1.7983,.2212;5.8772,-3.5169,.5259;6.1693,-3.1286,2.988;7.5774,-2.6039,2.07;6.4415,-1.4055,2.682; 0.000000 2.229614 0.000000 8.168717 7.789812 0.000000 7.840642 7.568077 1.529450 0.000000 9.009584 8.578707 2.572031 1.524456 0.000000 8.974339 8.638368 3.917213 2.531230 1.525009 0.000000 10.253921 9.774641 5.140045 3.918495 2.576294 1.529398 0.000000 7.136635 6.907594 1.537438 2.527855 3.909850 5.044639 6.406830 0.000000 9.472062 9.232280 1.523920 2.535269 3.140731 4.553204 5.608917 2.506826 0.000000 11.506527 11.121471 5.584766 4.548970 3.123704 2.536726 1.524856 6.979563 5.642700 0.000000 10.358268 9.958372 6.392122 5.025631 3.897005 2.507409 1.524361 7.511928 6.970665 2.503099 0.000000 5.943964 5.481163 2.520278 3.043327 4.379613 5.276491 6.631844 1.490378 3.842796 7.485135 7.568651 0.000000 4.658074 4.469536 3.615520 3.742094 5.126599 5.724948 7.145904 2.509217 4.909193 8.119083 7.865949 1.337256 0.000000 3.597273 3.032964 4.848731 4.826643 6.044908 6.443078 7.764984 3.877784 6.241186 8.912624 8.307878 2.484650 1.461417 0.000000 4.413985 3.026703 5.152573 5.230578 6.221938 6.672649 7.819453 4.415645 6.612972 9.033359 8.395789 2.928574 2.526565 1.495725 0.000000 2.294743 2.406596 5.934235 5.752691 6.989938 7.195418 8.539547 4.901883 7.266793 9.720197 8.906036 3.654411 2.396376 1.351005 2.535031 0.000000 1.333180 1.212164 7.294582 7.044607 8.174026 8.240055 9.487599 6.317130 8.673114 10.767336 9.696102 4.994151 3.809884 2.527527 3.119886 1.465863 0.000000 1.433395 2.662701 9.536695 9.170270 10.271220 10.144706 11.349173 8.532773 10.870106 12.660329 11.334325 7.291207 6.036260 4.869226 5.440650 3.643381 2.371361 0.000000 2.377172 4.136093 10.421083 10.005790 11.148085 10.958005 12.197992 9.373114 11.666740 13.454818 12.115387 8.263129 6.949507 5.969189 6.749445 4.646377 3.630006 1.507859 0.000000 8.458493 7.787344 1.097606 2.140172 2.746005 4.145100 5.173741 2.139837 2.135967 5.685974 6.478479 2.694917 3.938983 4.968156 4.944987 6.187229 7.454839 9.772735 10.779532 0.000000 6.912681 6.551637 2.151845 1.094984 2.136385 2.698119 4.114211 2.668064 3.467662 5.051948 5.004156 2.603948 3.071765 3.947151 4.321990 4.857158 6.075766 8.203513 9.098194 2.515640 0.000000 7.819432 7.857979 2.153336 1.097069 2.157027 2.789734 4.247479 2.807995 2.748624 4.733163 5.212206 3.493382 3.942219 5.122887 5.793830 5.853976 7.187192 9.174719 9.861013 3.046495 1.748614 0.000000 9.923350 9.576874 2.846282 2.159845 1.093063 2.158317 2.857277 4.294050 2.840709 2.827306 4.276182 5.054967 5.886839 6.933236 7.163074 7.879258 9.123240 11.219416 12.045348 3.107932 3.048327 2.498840 0.000000 9.241057 8.545034 2.770148 2.148231 1.096354 2.150771 2.770636 4.139194 3.458866 3.417338 4.141848 4.437565 5.318347 6.102887 6.014516 7.170205 8.284338 10.460559 11.454049 2.489801 2.507432 3.057196 1.750656 0.000000 9.003146 8.937486 4.245528 2.796227 2.155616 1.096934 2.153165 5.247676 4.714870 2.769009 2.768259 5.604560 5.915165 6.720629 7.169942 7.328649 8.409833 10.192656 10.869855 4.716974 3.061766 2.606438 2.488520 3.057336 0.000000 8.109390 7.703851 4.121659 2.697002 2.141817 1.095849 2.145929 5.019583 5.060789 3.467296 2.655102 4.940831 5.216796 5.730643 5.915440 6.422863 7.361141 9.221506 10.076964 4.282602 2.400833 3.042766 3.050798 2.521255 1.749512 0.000000 10.389474 9.675837 5.186036 4.147500 2.764034 2.136509 1.097105 6.485307 5.749313 2.136500 2.133834 6.600170 7.213319 7.737759 7.583578 8.616551 9.512818 11.453906 12.412873 4.986114 4.257759 4.720552 3.149691 2.506082 3.044219 2.490536 0.000000 7.728763 7.436029 2.149384 3.462653 4.708279 5.972660 7.259671 1.096273 2.654329 7.727443 8.448978 2.111449 3.173850 4.456976 4.867892 5.506541 6.890195 9.108981 9.959453 2.482307 3.697396 3.766868 4.953132 4.817255 6.211770 6.012621 7.267419 0.000000 6.980749 7.097933 2.171229 2.773882 4.245719 5.220158 6.666496 1.094498 2.785746 7.176158 7.681718 2.136016 2.642071 4.103110 4.954041 4.880575 6.343121 8.408556 9.091255 3.054242 2.973675 2.608565 4.546464 4.717683 5.193756 5.230117 6.914640 1.757704 0.000000 9.460146 9.476920 2.172400 2.802381 3.536582 4.747824 5.888743 2.791514 1.093169 5.838655 7.151572 4.211673 5.068087 6.477980 7.071431 7.352609 8.794873 10.879604 11.548436 3.058654 3.757616 2.565918 3.155221 4.122609 4.653576 5.294746 6.216741 3.028479 2.624940 0.000000 10.285179 9.955195 2.182092 2.812615 2.844828 4.264585 5.073414 3.473824 1.090749 4.898183 6.514910 4.678036 5.767000 7.028192 7.284250 8.083261 9.453476 11.662408 12.488737 2.488358 3.833809 3.114532 2.246611 3.087692 4.494716 4.947861 5.181673 3.660958 3.802219 1.761322 0.000000 9.864900 9.564000 2.172560 3.487792 4.124220 5.584596 6.591156 2.730132 1.091885 6.593429 7.987407 4.083700 5.234682 6.558653 6.857662 7.630088 9.034739 11.262833 12.082214 2.489015 4.301410 3.754996 3.826821 4.266502 5.798197 6.048357 6.635589 2.414813 3.114418 1.762778 1.755427 0.000000 11.567754 11.392251 5.831400 4.721168 3.490272 2.792984 2.171404 7.144039 5.775146 1.093491 2.794653 7.742435 8.282346 9.146850 9.436454 9.854067 10.934936 12.739011 13.424137 6.125070 5.281518 4.648687 3.088613 4.060523 2.576116 3.760256 3.057641 7.925824 7.174842 5.764506 5.093941 6.773847 0.000000 11.688181 11.248347 5.058404 4.277860 2.839464 2.828953 2.187207 6.534675 4.926589 1.091108 3.469603 7.179174 7.962714 8.857041 8.943089 9.765631 10.890907 12.898957 13.732028 5.103102 4.946209 4.549171 2.261738 3.031410 3.164390 3.839351 2.484535 7.166653 6.798119 5.208507 4.066609 5.798583 1.761991 0.000000 12.401117 11.936802 6.581172 5.587494 4.120960 3.488803 2.173197 8.003029 6.617050 1.092081 2.723652 8.466821 9.112871 9.841322 9.873745 10.654775 11.644696 13.509904 14.325995 6.588380 6.041319 5.818022 3.832845 4.245243 3.763971 4.297851 2.500387 8.725031 8.243097 6.857479 5.804096 7.520818 1.761864 1.755445 0.000000 10.399817 10.232428 6.671012 5.230962 4.249102 2.785923 2.172985 7.719650 7.159187 2.778270 1.093261 7.858640 8.055262 8.561812 8.828065 9.044387 9.859979 11.385301 12.043201 6.926147 5.263315 5.186601 4.525886 4.733402 2.597868 3.012339 3.057174 8.693130 7.735330 7.173597 6.749774 8.221067 2.624593 3.803295 3.083612 0.000000 9.612370 9.138638 6.473169 5.081623 4.150301 2.749108 2.177117 7.449975 7.267335 3.465503 1.092111 7.293109 7.470023 7.736166 7.764750 8.274012 8.945012 10.513769 11.330884 6.510782 4.822909 5.337062 4.763663 4.302647 3.121266 2.436658 2.486760 8.424837 7.653509 7.491084 6.936760 8.265743 3.801953 4.327875 3.733282 1.761907 0.000000 11.332378 10.843196 7.273774 5.979430 4.732089 3.469822 2.177017 8.465400 7.780534 2.748837 1.092005 8.529905 8.878123 9.283216 9.274631 9.905627 10.647593 12.263219 13.066760 7.273269 5.994579 6.217643 5.001953 4.837853 3.775817 3.669030 2.486153 9.363326 8.685062 8.009754 7.221976 8.766815 3.145677 3.743027 2.515013 1.761154 1.761270 0.000000 6.326024 5.470541 2.808181 3.418977 4.501285 5.448673 6.655654 2.186924 4.175094 7.563087 7.629911 1.086906 2.100811 2.729816 2.570579 4.055103 5.219314 7.582835 8.694731 2.532384 2.932652 4.124185 5.227222 4.289901 5.967928 5.071252 6.444406 2.539891 3.081396 4.772470 4.871820 4.321753 7.966307 7.220401 8.472458 8.062774 7.310953 8.517059 0.000000 4.582777 4.906419 3.899861 3.908298 5.373617 5.885174 7.378031 2.727453 5.004895 8.269026 8.041739 2.089386 1.086784 2.171871 3.494782 2.560635 4.021992 6.012372 6.712100 4.475948 3.370135 3.799342 6.042839 5.765948 5.872863 5.445989 7.599433 3.429544 2.399312 4.925443 5.915668 5.384668 8.289056 8.149315 9.304120 8.084956 7.701255 9.097007 3.058225 0.000000 4.076391 2.263937 6.209571 6.196529 7.111110 7.425092 8.498334 5.491435 7.682850 9.791662 8.938896 4.002128 3.463176 2.165923 1.082580 2.716460 2.744869 4.871453 6.285061 5.973216 5.230760 6.745002 8.094394 6.872130 7.932658 6.577868 8.228902 5.934638 5.988751 8.136491 8.329687 7.935720 10.213723 9.771466 10.585568 9.387884 8.209458 9.780831 3.633865 4.325255 0.000000 5.146417 3.748181 4.687348 4.621179 5.421365 5.825518 6.875484 4.273025 6.192391 8.120588 7.461236 2.879156 2.791709 2.134017 1.091746 3.243824 3.877369 6.162909 7.467591 4.369795 3.682559 5.310641 6.404862 5.122238 6.426701 5.053837 6.572808 4.835552 4.916807 6.732305 6.732418 6.532474 8.591255 8.050501 8.916005 7.968602 6.831639 8.299183 2.349375 3.795438 1.760835 0.000000 5.128687 3.743694 5.116680 5.503303 6.523062 7.186417 8.324239 4.288393 6.485604 9.443566 9.048165 2.880081 2.803487 2.134689 1.091777 3.238825 3.866628 6.142517 7.437708 4.801535 4.739751 6.127762 7.379576 6.233878 7.725803 6.540448 8.026874 4.497418 4.947922 7.022031 7.192838 6.557918 9.886425 9.232532 10.288920 9.521290 8.492095 9.907339 2.323697 3.820110 1.760245 1.751415 0.000000 2.392694 3.295835 5.977762 5.751047 7.070239 7.247920 8.664094 4.878265 7.186432 9.759271 9.016739 3.873860 2.536895 2.088143 3.488892 1.084308 2.158157 3.825785 4.501615 6.412647 4.958419 5.649470 7.882158 7.405950 7.221620 6.553647 8.870429 5.511764 4.615254 7.110812 8.047951 7.580985 9.774706 9.816592 10.736396 9.029701 8.455233 10.058164 4.518027 2.219465 3.788261 4.112514 4.108610 0.000000 2.076593 2.660678 9.722506 9.232916 10.208393 9.957688 11.062533 8.857504 11.112060 12.433101 10.934856 7.570790 6.365221 5.128014 5.527192 4.010010 2.672504 1.092595 2.153008 9.902611 8.214378 9.289620 11.201075 10.356668 10.048057 8.975865 11.135994 9.507394 8.796003 11.168392 11.830314 11.570914 12.546984 12.740280 13.224119 11.016387 10.051753 11.812395 7.781739 6.429770 4.858792 6.105202 6.337032 4.325770 0.000000 2.076814 2.638662 9.914760 9.688061 10.815182 10.796989 12.001176 8.844940 11.257486 13.319627 12.062861 7.548315 6.354749 5.109774 5.494955 4.002101 2.659443 1.092464 2.152311 10.072713 8.723129 9.769841 11.767425 10.924925 10.917220 9.876577 12.030825 9.316582 8.800733 11.330385 12.076351 11.561687 13.456367 13.499876 14.169706 12.181450 11.235961 12.980513 7.743788 6.438441 4.823649 6.319185 6.052755 4.331071 1.765669 0.000000 2.658427 4.564623 10.446681 10.151125 11.388506 11.310754 12.623553 9.287792 11.617795 13.818261 12.640120 8.253320 6.938305 6.075148 6.963189 4.751820 3.922483 2.163739 1.090555 10.852264 9.307513 9.959295 12.234528 11.726220 11.187708 10.490877 12.861266 9.790498 8.945451 11.452751 12.499869 11.964333 13.757336 14.031490 14.734791 12.545257 11.913614 13.627813 8.749270 6.615870 6.592267 7.771083 7.536569 4.470103 3.070165 2.509641 0.000000 3.322702 4.759703 11.444086 11.011531 12.114454 11.877128 13.069190 10.411693 12.714946 14.361318 12.918801 9.261451 7.962484 6.909487 7.565822 5.617222 4.470592 2.130363 1.090207 11.765259 10.077768 10.892205 13.034616 12.389501 11.808424 10.962655 13.260122 10.990116 10.159682 12.617437 13.524543 13.129320 14.346354 14.670637 15.202844 12.857944 12.091494 13.837964 9.637416 7.772746 6.994170 8.278164 8.247299 5.555624 2.474248 2.471530 1.760957 0.000000 2.661288 4.579433 10.268283 9.720737 10.816369 10.514047 11.735793 9.304268 11.481076 12.967162 11.568604 8.278191 6.952198 6.094376 6.992018 4.762358 3.934319 2.164398 1.090505 10.698362 8.835263 9.491716 11.693474 11.201140 10.342730 9.648862 12.029445 9.977214 8.945398 11.296687 12.266134 11.977830 12.870476 13.304123 13.828884 11.417298 10.803660 12.520047 8.786973 6.611924 6.620840 7.600905 7.770684 4.469286 2.509619 3.070032 1.771154 1.760964 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0939,.7208,-.6175;-4.5658,.5754,1.5438;2.4958,-2.2591,-.1237;2.6015,-.7748,-.477;3.8553,-.0823,.0448;3.8453,1.4166,-.2362;5.0032,2.1989,.3852;1.1052,-2.8122,-.4758;3.5745,-3.0929,-.8047;6.3556,1.7768,-.1787;4.7942,3.6969,.1959;.0152,-2.171,.3128;-1.0491,-1.5533,-.2107;-2.1107,-.9087,.5595;-1.9767,-.9085,2.0492;-3.1266,-.3608,-.1426;-4.3007,.341,.3844;-6.2993,1.4242,-.2905;-7.026,1.7179,-1.5786;2.624,-2.359,.9618;1.7288,-.2492,-.0754;2.5436,-.6615,-1.5666;4.7467,-.5381,-.3939;3.9295,-.2453,1.1264;3.8399,1.5862,-1.3199;2.9032,1.8341,.1367;5.0053,1.993,1.4628;1.1003,-3.8879,-.2641;.9185,-2.7019,-1.5486;3.5013,-3.0195,-1.8929;4.5785,-2.7748,-.5211;3.4853,-4.1482,-.539;6.3927,1.9272,-1.2611;6.5771,.726,.0147;7.1668,2.361,.261;4.7844,3.9631,-.8644;3.8459,4.0272,.6253;5.5889,4.2761,.6707;.1321,-2.2234,1.3921;-1.1491,-1.512,-1.2921;-2.7911,-.4034,2.5527;-1.043,-.4248,2.3427;-1.9297,-1.933,2.4236;-3.0911,-.4395,-1.2235;-6.0573,2.3497,.2374;-6.9177,.8137,.3716;-7.2924,.8035,-2.1099;-7.9497,2.2516,-1.3536;-6.4333,2.3466,-2.2439; 0.4553796 0.1045207 0.0912434 -19.16727 -19.10907 -10.30201 -10.22131 -10.20375 -10.17664 -10.17342 -10.16906 -10.16565 -10.16251 -10.16081 -10.15739 -10.15727 -10.15011 -10.14985 -10.14937 -10.14720 -10.14512 -10.14500 -1.11590 -1.02366 -0.84120 -0.82040 -0.80418 -0.78424 -0.76380 -0.73725 -0.71214 -0.68309 -0.67623 -0.66775 -0.65209 -0.60447 -0.59040 -0.56510 -0.55684 -0.54789 -0.53320 -0.50400 -0.49607 -0.48291 -0.47357 -0.46858 -0.45250 -0.43875 -0.43294 -0.43126 -0.42954 -0.42058 -0.41509 -0.41334 -0.39986 -0.39197 -0.38840 -0.37677 -0.37604 -0.37528 -0.37264 -0.36143 -0.35650 -0.35314 -0.35207 -0.34764 -0.34299 -0.33176 -0.32096 -0.31598 -0.31186 -0.31071 -0.30845 -0.30641 -0.29480 -0.28188 -0.23619 -0.06449 0.00658 0.01205 0.01731 0.01989 0.02164 0.02919 0.03339 0.03428 0.03535 0.03941 0.04529 0.04683 0.04966 0.05267 0.05623 0.05996 0.06496 0.06631 0.06916 0.07022 0.07459 0.07546 0.08034 0.08080 0.08729 0.09086 0.09240 0.09527 0.10000 0.10151 0.10537 0.10649 0.10893 0.11666 0.12023 0.12104 0.12487 0.12641 0.12837 0.12931 0.13648 0.14047 0.14372 0.14813 0.15181 0.15424 0.15707 0.16098 0.16490 0.16848 0.17332 0.17561 0.17589 0.17980 0.18508 0.18966 0.19047 0.19550 0.19920 0.20105 0.20268 0.20340 0.20732 0.20936 0.21026 0.21211 0.21341 0.21446 0.21890 0.22104 0.22301 0.22651 0.22982 0.23196 0.23581 0.24111 0.24166 0.24330 0.24584 0.24690 0.25087 0.25539 0.25628 0.25953 0.26160 0.26493 0.26840 0.27143 0.27687 0.28011 0.28064 0.28304 0.28527 0.28992 0.29136 0.29473 0.29933 0.30073 0.30287 0.30671 0.30836 0.31526 0.31930 0.32024 0.32736 0.32903 0.33227 0.33743 0.33866 0.34815 0.35632 0.36104 0.37072 0.37848 0.38294 0.38384 0.38761 0.39588 0.40505 0.40946 0.41573 0.42395 0.42630 0.42838 0.43687 0.44183 0.44707 0.45856 0.46654 0.46916 0.47810 0.48853 0.49490 0.49933 0.50252 0.51040 0.51146 0.51697 0.52370 0.52790 0.53226 0.53728 0.54865 0.56333 0.56472 0.56852 0.57616 0.58249 0.58691 0.59018 0.59945 0.61283 0.61456 0.61723 0.62597 0.62863 0.63449 0.63770 0.64392 0.65125 0.65473 0.65708 0.65906 0.66318 0.66825 0.66859 0.67189 0.67961 0.68342 0.68908 0.69259 0.69733 0.69946 0.70417 0.70919 0.71167 0.71757 0.72361 0.72619 0.73164 0.73277 0.73895 0.74725 0.74814 0.75173 0.75691 0.75889 0.76553 0.76858 0.77146 0.77660 0.78061 0.79311 0.79599 0.80319 0.80618 0.81211 0.82247 0.83323 0.83721 0.84225 0.85579 0.87154 0.88458 0.89156 0.89991 0.92261 0.92824 0.93909 0.95055 0.96341 0.97289 0.97976 0.98367 0.99283 0.99781 1.00394 1.02664 1.03040 1.03493 1.04457 1.06919 1.07078 1.08373 1.09080 1.09711 1.10814 1.11889 1.12607 1.13799 1.16063 1.16684 1.17637 1.17949 1.19124 1.19515 1.20910 1.21544 1.23190 1.25133 1.25711 1.26395 1.27672 1.28027 1.28732 1.32319 1.34081 1.34881 1.40158 1.40408 1.41832 1.42798 1.44092 1.45392 1.46600 1.46829 1.47338 1.47700 1.47901 1.48289 1.48807 1.49194 1.50211 1.50479 1.51646 1.52243 1.53231 1.54069 1.55060 1.55603 1.56004 1.56734 1.57501 1.57795 1.58148 1.58738 1.59274 1.59586 1.60306 1.60513 1.61894 1.62223 1.62693 1.62904 1.63723 1.63807 1.64766 1.65076 1.65988 1.66405 1.67045 1.67178 1.68348 1.68922 1.69674 1.70291 1.71084 1.71690 1.72575 1.73506 1.74165 1.74631 1.75404 1.75843 1.76991 1.77505 1.77543 1.78407 1.79365 1.79632 1.81008 1.81233 1.81720 1.82664 1.83067 1.83781 1.84641 1.85675 1.87354 1.87773 1.88682 1.89174 1.92423 1.92980 1.93680 1.96383 1.97814 1.98147 1.98732 1.99563 1.99895 2.01954 2.03025 2.04124 2.05282 2.07280 2.08049 2.08687 2.10060 2.10533 2.11578 2.12807 2.13123 2.13959 2.14806 2.15735 2.15888 2.17893 2.19135 2.20538 2.21021 2.22449 2.23929 2.24779 2.25248 2.26232 2.29083 2.30473 2.30768 2.31780 2.33313 2.34162 2.35226 2.36633 2.37817 2.37914 2.39810 2.40935 2.42083 2.44494 2.45393 2.45995 2.46406 2.46875 2.47303 2.48097 2.49378 2.50636 2.50775 2.51484 2.52502 2.52821 2.53277 2.54235 2.54375 2.54824 2.54989 2.55677 2.55931 2.57413 2.58043 2.59016 2.59157 2.59406 2.60661 2.61159 2.61416 2.62206 2.63005 2.63606 2.63837 2.64295 2.65904 2.66266 2.66982 2.67781 2.68864 2.70582 2.71450 2.72132 2.73082 2.73974 2.75233 2.76186 2.77495 2.78153 2.78932 2.79771 2.80411 2.80562 2.82517 2.82775 2.83521 2.84358 2.85046 2.85946 2.86611 2.90034 2.90685 2.91597 2.93820 2.94498 2.95643 2.96812 2.98461 2.99074 2.99972 3.00962 3.01598 3.02167 3.02650 3.05050 3.05677 3.06987 3.08024 3.08290 3.11394 3.15814 3.17215 3.18256 3.19487 3.23467 3.23843 3.26451 3.30183 3.35076 3.36214 3.37971 3.40728 3.44236 3.53468 3.56111 3.59325 3.64306 3.67547 3.69307 3.79283 3.80143 3.81007 3.81161 3.81744 3.81846 3.82556 3.82615 3.82655 3.84182 3.85095 3.86631 3.87306 3.88357 3.89980 3.93762 4.01819 4.02847 4.05947 4.09165 4.13445 4.14327 4.23208 4.26749 4.28832 4.33386 4.33421 4.36374 4.43112 4.44693 4.53181 4.98871 5.05953 5.25074 5.37629 5.69861 5.88926 23.68494 23.82200 23.85933 23.86557 23.87003 23.89231 23.91960 23.92621 23.94832 23.96623 23.98909 23.99015 23.99779 23.99950 24.00087 24.19757 24.26377 49.90783 50.03646 1-A. 2.0802 -1.2903 -1.6467 2.9502 -119.4585 -118.9770 -124.1440 -6.5760 12.3728 -3.1496 1.4014 1.8828 -3.2842 -6.5760 12.3728 -3.1496 -149.7061 -0.4637 -6.6572 -29.3478 39.5890 -55.2355 12.3743 -6.8772 4.0401 12.7773 -12035.8675 -2829.5346 -750.5248 -390.8989 355.7992 -134.8481 -18.0393 39.3907 -14.9283 -2549.2669 -2410.3501 -586.7044 -55.8640 22.7484 14.6322 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; 0.000000 2.252807 0.000000 8.164455 7.841582 0.000000 7.782553 7.612132 1.538736 0.000000 8.953710 8.660232 2.590739 1.532863 0.000000 8.891047 8.733924 3.945150 2.548914 1.533033 0.000000 10.198567 9.924398 5.180156 3.947206 2.594685 1.539355 0.000000 7.162158 6.952281 1.549371 2.543892 3.939488 5.083198 6.461958 0.000000 9.478694 9.290326 1.533572 2.551631 3.146300 4.565897 5.618180 2.520816 0.000000 11.436666 11.253371 5.603402 4.566395 3.136992 2.554288 1.534546 7.005076 5.623221 0.000000 10.294831 10.133160 6.443015 5.063245 3.923745 2.523837 1.534124 7.578594 6.989318 2.518744 0.000000 5.977144 5.525092 2.548674 3.087614 4.451988 5.365575 6.750071 1.496476 3.870099 7.574374 7.704203 0.000000 4.680841 4.499986 3.620581 3.736729 5.144111 5.751562 7.202364 2.517481 4.924122 8.150559 7.937340 1.342998 0.000000 3.621926 3.061401 4.872608 4.848843 6.100653 6.514764 7.878350 3.893386 6.270746 9.001284 8.442641 2.498837 1.463783 0.000000 4.431929 3.036087 5.244523 5.358298 6.412060 6.901330 8.109189 4.461603 6.700731 9.293512 8.720317 2.967146 2.545533 1.503793 0.000000 2.308091 2.422947 5.937458 5.723580 6.977609 7.177492 8.556519 4.920956 7.281445 9.718910 8.931589 3.675690 2.408481 1.359027 2.537809 0.000000 1.355234 1.222700 7.303874 7.025411 8.175344 8.238096 9.526194 6.337668 8.692123 10.789265 9.746155 5.016722 3.821397 2.536779 3.116354 1.465108 0.000000 1.453253 2.673265 9.550949 9.133159 10.235944 10.082122 11.314462 8.575335 10.895750 12.613879 11.290588 7.338607 6.073495 4.904207 5.460102 3.668642 2.396862 0.000000 2.389226 4.151471 10.416114 9.926390 11.049769 10.808130 12.058468 9.415284 11.675028 13.303916 11.944395 8.312642 6.990540 6.007449 6.774158 4.675761 3.657961 1.512339 0.000000 8.464361 7.844939 1.098918 2.149506 2.781497 4.189307 5.241295 2.152778 2.147562 5.737842 6.557314 2.721933 3.944695 4.994991 5.042399 6.195455 7.470250 9.795182 10.784257 0.000000 6.861217 6.601133 2.158264 1.096193 2.148784 2.729183 4.161656 2.692235 3.484235 5.088715 5.066626 2.659418 3.075427 3.978779 4.461833 4.832945 6.061819 8.172152 9.026241 2.510664 0.000000 7.719887 7.867613 2.157938 1.099099 2.162822 2.799260 4.262056 2.801691 2.770120 4.738232 5.230610 3.508922 3.907472 5.112648 5.885280 5.789868 7.132597 9.098792 9.739537 3.053429 1.754184 0.000000 9.856199 9.645863 2.854771 2.163677 1.093628 2.161574 2.862574 4.305445 2.831979 2.824930 4.287349 5.107524 5.889027 6.972821 7.332178 7.855336 9.113001 11.173874 11.936353 3.141399 3.056508 2.500717 0.000000 9.222949 8.657734 2.798072 2.158570 1.098476 2.159308 2.797602 4.188961 3.468025 3.439051 4.180461 4.532843 5.361547 6.186969 6.236031 7.189496 8.318014 10.460892 11.394802 2.538221 2.517612 3.065981 1.755988 0.000000 8.869631 8.989888 4.258187 2.802601 2.161063 1.099169 2.159628 5.258438 4.719989 2.788002 2.773707 5.659846 5.905672 6.752063 7.353624 7.267919 8.364016 10.081875 10.666719 4.746117 3.081272 2.603930 2.492076 3.065007 0.000000 8.046319 7.819877 4.164946 2.727472 2.151918 1.097645 2.154792 5.084150 5.091708 3.485570 2.676058 5.056422 5.272183 5.830112 6.171259 6.428303 7.380293 9.176250 9.945073 4.331177 2.448338 3.068797 3.057500 2.525376 1.756238 0.000000 10.375788 9.860377 5.245096 4.187790 2.790114 2.145375 1.098968 6.567885 5.775142 2.145809 2.144353 6.747355 7.300428 7.883824 7.908882 8.669032 9.587432 11.458810 12.317788 5.074006 4.312936 4.746745 3.165143 2.543486 3.051602 2.492565 0.000000 7.799444 7.499759 2.157519 3.477200 4.736340 6.009871 7.313711 1.098237 2.654534 7.745772 8.515589 2.115922 3.202946 4.487845 4.902613 5.558997 6.942222 9.195315 10.057930 2.499940 3.721799 3.758636 4.959913 4.870103 6.219067 6.077793 7.353575 0.000000 6.990858 7.130591 2.174513 2.770974 4.246187 5.224904 6.680355 1.096177 2.795708 7.158173 7.703655 2.141172 2.647021 4.110662 4.990070 4.889774 6.352154 8.437500 9.119448 3.060667 2.987784 2.579893 4.526311 4.739249 5.169073 5.267603 6.956718 1.764127 0.000000 9.449986 9.522040 2.177508 2.806031 3.517629 4.731813 5.860808 2.801832 1.096304 5.776301 7.129966 4.234164 5.077173 6.498383 7.148312 7.356129 8.801111 10.889444 11.539294 3.067307 3.770141 2.574336 3.113978 4.111653 4.627649 5.305615 6.207965 3.026404 2.630830 0.000000 10.277866 10.015314 2.189696 2.830603 2.847888 4.276079 5.075553 3.488915 1.092858 4.878790 6.527257 4.709583 5.779889 7.059738 7.388359 8.090713 9.466721 11.673843 12.473455 2.495529 3.845785 3.149791 2.246656 3.079954 4.511913 4.968350 5.190547 3.663029 3.812844 1.768300 0.000000 9.891892 9.618248 2.180962 3.504792 4.141550 5.607240 6.615865 2.734611 1.094742 6.587980 8.020439 4.094803 5.247259 6.581322 6.918103 7.653140 9.060759 11.307973 12.122953 2.504655 4.316804 3.770595 3.832777 4.293165 5.808352 6.087887 6.681551 2.404489 3.119939 1.770218 1.764301 0.000000 11.451359 11.482651 5.820738 4.715540 3.486294 2.801130 2.177751 7.131052 5.728403 1.096714 2.809936 7.792316 8.274022 9.194425 9.653069 9.810574 10.914633 12.647992 13.224875 6.148428 5.298673 4.629253 3.067079 4.066920 2.585911 3.774649 3.065585 7.901671 7.116467 5.670898 5.058943 6.736695 0.000000 11.629755 11.366301 5.073168 4.294512 2.851905 2.847193 2.194854 6.556261 4.905551 1.093272 3.485146 7.257215 7.988669 8.933969 9.176402 9.764461 10.910046 12.863156 13.607060 5.148037 4.975098 4.561205 2.266391 3.044388 3.191762 3.853942 2.488051 7.179944 6.782003 5.150396 4.044217 5.792034 1.769535 0.000000 12.340415 12.093630 6.612064 5.612747 4.142288 3.505923 2.180261 8.042065 6.606414 1.094992 2.728668 8.573527 9.159556 9.950002 10.164806 10.668024 11.683612 13.472162 14.173200 6.657174 6.085879 5.827135 3.840555 4.279540 3.778730 4.314154 2.511803 8.759021 8.234560 6.800229 5.791910 7.526807 1.769346 1.764330 0.000000 10.295965 10.373189 6.700321 5.252676 4.263909 2.797060 2.178823 7.756897 7.157931 2.787891 1.096500 7.963175 8.095223 8.663250 9.115293 9.035250 9.875246 11.303247 11.827922 6.983371 5.312855 5.188356 4.523679 4.760319 2.596698 3.035378 3.065791 8.726640 7.726792 7.130038 6.750298 8.229950 2.633249 3.815459 3.082742 0.000000 9.566397 9.334984 6.536500 5.126316 4.179485 2.762388 2.186346 7.536067 7.301467 3.482663 1.095018 7.448657 7.563092 7.894106 8.113883 8.319820 9.015015 10.484926 11.173044 6.597429 4.893259 5.362444 4.778542 4.343183 3.122059 2.454955 2.497316 8.514460 7.697831 7.489345 6.959215 8.314998 3.817519 4.344053 3.741844 1.769708 0.000000 11.286554 11.046236 7.326608 6.018461 4.759427 3.486980 2.185120 8.536610 7.794910 2.759837 1.094989 8.675563 8.961009 9.435849 9.625214 9.948494 10.719313 12.237846 12.906236 7.358355 6.059739 6.236435 5.012233 4.879215 3.783929 3.689986 2.495599 9.434814 8.708774 7.980853 7.227454 8.797778 3.161176 3.752417 2.514446 1.768911 1.769681 0.000000 6.371590 5.524740 2.867543 3.518241 4.648552 5.621650 6.870064 2.194688 4.221257 7.745831 7.866598 1.087867 2.107368 2.750647 2.619345 4.083396 5.251487 7.640582 8.754275 2.597723 3.041775 4.189052 5.350696 4.466211 6.102259 5.266875 6.691313 2.523910 3.088043 4.811817 4.931263 4.337175 8.107344 7.383233 8.679060 8.265287 7.566661 8.768893 0.000000 4.595666 4.931692 3.871363 3.838589 5.312787 5.816897 7.331525 2.727517 4.993357 8.199341 8.000775 2.091978 1.088451 2.172276 3.510975 2.568113 4.028779 6.043727 6.747392 4.452523 3.309701 3.694476 5.969134 5.735569 5.765505 5.408722 7.587006 3.468720 2.395839 4.907071 5.894461 5.386305 8.177452 8.085441 9.244544 8.010537 7.683070 9.064885 3.062842 0.000000 4.067643 2.246792 6.305823 6.327773 7.315849 7.673166 8.821048 5.535691 7.775405 10.085118 9.303041 4.039357 3.472851 2.163742 1.085105 2.694894 2.714156 4.861686 6.279031 6.081730 5.372301 6.835444 8.278952 7.114301 8.130565 6.852685 8.592582 5.970398 6.016858 8.213074 8.443238 8.001635 10.459810 10.034844 10.916536 9.710380 8.601164 10.179503 3.690322 4.326845 0.000000 5.148503 3.737451 4.803643 4.800518 5.665679 6.124823 7.231494 4.338967 6.307483 8.448833 7.858751 2.928723 2.822038 2.140424 1.094847 3.239987 3.858506 6.161969 7.471360 4.469856 3.873681 5.469044 6.628894 5.379793 6.692698 5.377909 6.949380 4.873559 4.989331 6.849465 6.864138 6.608188 8.888143 8.342105 9.271828 8.339524 7.249524 8.717048 2.395848 3.828797 1.771911 0.000000 5.163665 3.771867 5.222162 5.642228 6.738293 7.434208 8.643346 4.326966 6.577820 9.728350 9.397271 2.911980 2.811847 2.140813 1.094621 3.251111 3.880454 6.182574 7.484547 4.935193 4.890159 6.214078 7.570146 6.499382 7.915476 6.814720 8.397098 4.522960 4.961304 7.090876 7.309986 6.621506 10.114752 9.493536 10.611866 9.820652 8.867044 10.288915 2.378828 3.823552 1.772406 1.758620 0.000000 2.379259 3.301219 5.968151 5.680388 6.997534 7.145996 8.584807 4.907376 7.193217 9.665066 8.928712 3.906896 2.564008 2.103007 3.501082 1.084623 2.146579 3.832451 4.512947 6.409375 4.890894 5.539382 7.800424 7.368596 7.072659 6.473474 8.830710 5.589074 4.634952 7.105552 8.038508 7.610254 9.635487 9.736911 10.649438 8.903095 8.384845 9.983075 4.555207 2.243794 3.770261 4.122593 4.129632 0.000000 2.078275 2.635742 9.699986 9.173987 10.151297 9.888158 11.021410 8.863644 11.103933 12.386434 10.898876 7.578538 6.368045 5.127432 5.507968 4.002646 2.664460 1.092826 2.171369 9.875419 8.158421 9.208419 11.137653 10.320477 9.946703 8.919079 11.119406 9.547472 8.801486 11.155459 11.807244 11.574313 12.470178 12.694084 13.186053 10.958403 10.027062 11.794680 7.793855 6.434524 4.818296 6.060898 6.337289 4.306269 0.000000 2.078565 2.629341 9.927459 9.656710 10.802679 10.765480 12.011853 8.869538 11.276840 13.311973 12.072240 7.577467 6.367883 5.121003 5.491961 4.002280 2.661475 1.092805 2.171148 10.104351 8.699628 9.688829 11.740724 10.958293 10.827806 9.866479 12.090594 9.383775 8.801293 11.325667 12.089572 11.597543 13.394771 13.498146 14.179828 12.143476 11.266088 13.015925 7.789139 6.441594 4.791151 6.299121 6.072330 4.314068 1.772577 0.000000 2.652303 4.572810 10.435219 10.054382 11.274009 11.135910 12.459905 9.322855 11.617268 13.636175 12.437843 8.297188 6.969614 6.103236 6.980906 4.769795 3.938541 2.160246 1.093268 10.861131 9.221020 9.807187 12.105427 11.662504 10.946685 10.339357 12.753956 9.890880 8.956137 11.425819 12.476631 12.003341 13.514853 13.881831 14.551885 12.285835 11.729905 13.436721 8.807371 6.636777 6.575587 7.772104 7.577674 4.469773 3.079526 2.516202 0.000000 3.343592 4.780401 11.446975 10.942339 12.027706 11.740152 12.943263 10.459482 12.730187 14.224320 12.761676 9.316633 8.008401 6.953438 7.595601 5.651679 4.505295 2.140450 1.093719 11.778234 10.016422 10.781175 12.936853 12.341668 11.618564 10.843138 13.178202 11.093220 10.192707 12.614542 13.516744 13.176264 14.161380 14.558502 15.064067 12.657157 11.947109 13.691731 9.703633 7.812324 6.995108 8.284522 8.300837 5.571085 2.507661 2.507689 1.772993 0.000000 2.651919 4.576675 10.218275 9.590210 10.649590 10.287669 11.505279 9.317020 11.448812 12.731524 11.299152 8.298024 6.969586 6.108568 6.993597 4.769970 3.940564 2.160311 1.093264 10.647776 8.710681 9.331281 11.519644 11.063591 10.073292 9.436855 11.834671 10.046532 8.956039 11.256372 12.202297 11.980615 12.596285 13.098994 13.582499 11.112441 10.542050 12.254034 8.811487 6.629617 6.595584 7.579860 7.792234 4.461936 2.516768 3.079408 1.777309 1.772894 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0298,.8387,-.6266;-4.6742,.3647,1.5469;2.5106,-2.2598,-.1796;2.5875,-.7465,-.4475;3.8507,-.058,.0816;3.8259,1.4594,-.1355;5.0139,2.2286,.47;1.125,-2.8236,-.5833;3.6161,-3.0363,-.9054;6.3551,1.8167,-.1517;4.8015,3.741,.3252;-.0041,-2.2801,.2347;-1.0472,-1.5932,-.259;-2.1543,-1.0399,.5226;-2.1465,-1.2517,2.0114;-3.116,-.364,-.1595;-4.3119,.2868,.3817;-6.2551,1.5318,-.2656;-6.8737,2.0491,-1.545;2.6313,-2.42,.9008;1.7131,-.2626,.003;2.5052,-.5768,-1.5303;4.7347,-.4838,-.4014;3.9515,-.2671,1.1553;3.7812,1.6708,-1.2132;2.8982,1.86,.2931;5.0507,1.9936,1.543;1.1521,-3.9136,-.4522;.9514,-2.6329,-1.6487;3.5479,-2.8854,-1.9891;4.6124,-2.7195,-.5869;3.5345,-4.1106,-.7115;6.3474,1.9883,-1.2348;6.5818,.7607,.0179;7.1782,2.4016,.2716;4.7593,4.0277,-.7323;3.865,4.0602,.7945;5.6178,4.3041,.7894;.0656,-2.4635,1.3047;-1.0874,-1.4152,-1.3321;-3.0139,-.815,2.4955;-1.2427,-.8122,2.4457;-2.1188,-2.3226,2.2362;-3.0182,-.2761,-1.2361;-6.0068,2.3422,.4242;-6.9142,.8294,.2507;-7.1095,1.2272,-2.2262;-7.8014,2.5791,-1.3113;-6.1995,2.744,-2.0528; 0.4351989 0.1048795 0.0906998 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= 598 598 598 598 598 MxSgAt= 49 MxSgA2= 49. 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= 598 RedAO= T EigKep= 1.45D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.49D-07 NBFU= 597 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= 592 589 590 592 592 MxSgAt= 49 MxSgA2= 49. 1 8.18423597e-01 -5.07623648e-01 -6.47856451e-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 49 8 8 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 1 1 0.002749947 0.002092821 0.013726256 0.005997070 -0.004248940 -0.016668288 -0.001363372 -0.000236852 -0.000988996 0.002418630 0.000543543 0.000257429 -0.002253962 0.000282746 -0.000277391 0.001955663 -0.000841740 0.000736742 0.000115870 0.000062621 -0.001565922 0.000456539 -0.002332576 0.001409016 -0.004367406 0.000643067 0.000755942 -0.004391786 0.001114830 0.000271243 0.002942012 0.002808570 -0.001141898 -0.002403772 -0.001780090 -0.001403437 0.002350988 -0.000110032 0.001060662 -0.004819617 0.000612472 0.000000388 0.001674138 -0.001291465 -0.004586110 0.003690308 0.000032871 0.002793054 -0.014743771 0.003299955 0.003312294 0.011054798 -0.001998718 -0.001378716 0.002310295 0.000135795 0.002735205 0.000076383 -0.000204028 -0.001102024 0.000777761 -0.000527177 -0.000290801 -0.000168438 0.000216215 0.001432823 -0.000350312 0.000291151 0.000505889 -0.000014476 -0.000415706 -0.001477415 -0.000203545 0.000704732 0.001400253 0.001172088 -0.000391738 -0.000596536 -0.000162746 -0.000692591 -0.001192220 -0.001047971 -0.001238344 -0.000177029 0.000209970 0.000745454 0.001083470 0.000803438 0.000548042 0.001978052 -0.000612983 0.001327992 -0.000832501 -0.000792850 -0.001994984 -0.000027254 0.000674554 0.000661023 0.002065210 -0.000998291 -0.001375686 -0.000035052 -0.000094196 0.001640126 -0.001387484 -0.000054454 0.000601124 0.002220404 0.001736158 -0.001019656 -0.000607376 -0.000826969 0.001512268 -0.001347800 -0.000327863 0.000181477 -0.000413874 -0.000024602 0.000337834 0.000985878 0.002370148 -0.000244282 0.000588129 -0.001010224 0.001749057 -0.000483628 -0.001465646 -0.001508353 0.000142722 0.001829820 -0.000155532 0.000380887 -0.002045912 0.000984545 -0.001219732 -0.002332196 -0.000696975 -0.000901434 -0.001752004 -0.001324701 0.000758163 0.002528807 -0.000494161 -0.000667458 -0.001266024 0.001993994 0.000170267 0.016668288 0.002853679 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -816.627360080818 -816.627368789047 -0.000008708229 -816.627368858487 -0.000000069440 -816.627368873364 -0.000000014877 -816.627368879003 -0.000000005639 -816.627368879795 -0.000000000792 -816.627368879811 -0.000000000016 -816.627368879793 0.000000000018 -816.627368880 8 8.127448728317e+02 -4.625036637526e+03 1.632073999859e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414803940 LenY= 1414422634 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) PT60254.500S 2024-09-20T15:19:26.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 O O 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 H H -0.119388 -0.405529 0.440379 -0.221623 -0.410001 -0.384489 0.277867 -0.713883 -0.731191 -0.596265 -0.654797 0.088435 0.059283 0.702554 -0.906474 -0.390084 -0.089588 0.017951 -0.551785 0.143774 0.158496 0.149047 0.142431 0.141265 0.149612 0.141082 0.132006 0.169575 0.161145 0.152753 0.152462 0.142458 0.143374 0.145695 0.139436 0.143187 0.142222 0.141798 0.159715 0.137652 0.175714 0.174117 0.176756 0.156851 0.173534 0.173006 0.153097 0.163410 0.152957 -0.00000 -19.16525 -19.11119 -10.30455 -10.22194 -10.20739 -10.17979 -10.17619 -10.17191 -10.16869 -10.16496 -10.16331 -10.15934 -10.15929 -10.15230 -10.15189 -10.15152 -10.14923 -10.14712 -10.14682 -1.10458 -1.01738 -0.83933 -0.81719 -0.80098 -0.78048 -0.76207 -0.73546 -0.71112 -0.68235 -0.67493 -0.66673 -0.64845 -0.60477 -0.59062 -0.56174 -0.55521 -0.54705 -0.53217 -0.50321 -0.49122 -0.48093 -0.47203 -0.46691 -0.45087 -0.43694 -0.43122 -0.43006 -0.42775 -0.41912 -0.41427 -0.41303 -0.39951 -0.39121 -0.38823 -0.37686 -0.37589 -0.37497 -0.37273 -0.36105 -0.35671 -0.35341 -0.35193 -0.34834 -0.34307 -0.33210 -0.32100 -0.31650 -0.31161 -0.31058 -0.30768 -0.30633 -0.29492 -0.28212 -0.23670 -0.06813 0.00658 0.01191 0.01697 0.02021 0.02180 0.02766 0.03276 0.03360 0.03548 0.03919 0.04471 0.04670 0.04953 0.05225 0.05606 0.05955 0.06411 0.06658 0.06808 0.06944 0.07396 0.07496 0.07928 0.08042 0.08712 0.08991 0.09161 0.09426 0.09900 0.10035 0.10501 0.10662 0.10804 0.11607 0.11918 0.11984 0.12362 0.12522 0.12792 0.12850 0.13478 0.14065 0.14191 0.14621 0.15119 0.15184 0.15611 0.15861 0.16459 0.16808 0.17293 0.17428 0.17540 0.17757 0.18433 0.18853 0.19018 0.19430 0.19741 0.19849 0.20135 0.20263 0.20547 0.20740 0.20854 0.21103 0.21194 0.21394 0.21802 0.22019 0.22100 0.22470 0.22882 0.22997 0.23430 0.23781 0.23938 0.24152 0.24384 0.24571 0.25047 0.25348 0.25477 0.25673 0.26018 0.26266 0.26579 0.26862 0.27488 0.27768 0.27845 0.28002 0.28419 0.28650 0.28883 0.29234 0.29784 0.29900 0.30036 0.30276 0.30511 0.31211 0.31495 0.31713 0.32383 0.32833 0.32860 0.33572 0.33901 0.34755 0.35405 0.35833 0.36741 0.37650 0.38111 0.38123 0.38345 0.39292 0.40368 0.40475 0.41463 0.42006 0.42480 0.42567 0.43254 0.44098 0.44398 0.45850 0.46378 0.46568 0.47395 0.48651 0.49368 0.49937 0.50234 0.50886 0.51046 0.51726 0.52135 0.52645 0.53026 0.53502 0.54424 0.55898 0.56068 0.56588 0.56935 0.58129 0.58529 0.58620 0.59854 0.60828 0.61218 0.61524 0.62288 0.62813 0.63135 0.63423 0.64037 0.64796 0.65108 0.65496 0.65593 0.66075 0.66543 0.66690 0.67015 0.67678 0.67992 0.68702 0.69019 0.69403 0.69647 0.70047 0.70514 0.71044 0.71574 0.72058 0.72282 0.72828 0.72948 0.73695 0.74438 0.74495 0.74981 0.75336 0.75483 0.76151 0.76394 0.76882 0.77522 0.77815 0.79081 0.79294 0.79978 0.80402 0.81061 0.81888 0.83016 0.83503 0.83958 0.85333 0.86974 0.88073 0.88970 0.89707 0.91756 0.92831 0.93677 0.95052 0.96224 0.96982 0.98013 0.98170 0.99052 0.99621 1.00128 1.02383 1.02703 1.03478 1.03672 1.06671 1.06989 1.08193 1.08981 1.09629 1.10681 1.11504 1.12574 1.13571 1.15546 1.16027 1.17455 1.18172 1.19229 1.19410 1.20477 1.20950 1.22720 1.25075 1.25419 1.26166 1.27246 1.27838 1.28182 1.32185 1.33536 1.34768 1.39944 1.40233 1.41475 1.42677 1.44039 1.45147 1.46288 1.46477 1.46955 1.47410 1.47602 1.47752 1.48723 1.49158 1.50075 1.50486 1.51608 1.52053 1.53074 1.53927 1.54649 1.55166 1.55555 1.56400 1.56979 1.57237 1.57774 1.58473 1.58717 1.59148 1.59770 1.60228 1.61554 1.61732 1.62076 1.62364 1.63198 1.63415 1.64301 1.64466 1.65555 1.66260 1.66569 1.66627 1.67922 1.68356 1.69175 1.69657 1.70496 1.71046 1.71791 1.72904 1.73789 1.73880 1.74652 1.75470 1.76596 1.76749 1.77157 1.77665 1.78528 1.78932 1.80349 1.80606 1.81142 1.81918 1.82126 1.83063 1.84359 1.85022 1.86887 1.87109 1.87763 1.88876 1.91862 1.92386 1.93290 1.95698 1.96861 1.97539 1.98415 1.99342 2.00002 2.01318 2.02443 2.03562 2.04830 2.06692 2.07658 2.08089 2.09380 2.10026 2.10493 2.12134 2.12282 2.13293 2.13768 2.14864 2.14906 2.16921 2.18072 2.20071 2.20154 2.21548 2.23138 2.24065 2.24806 2.25548 2.28296 2.29807 2.29838 2.30996 2.32675 2.33450 2.35168 2.35882 2.36918 2.37224 2.39257 2.40202 2.41611 2.43812 2.44869 2.45203 2.45827 2.46531 2.46705 2.47879 2.48593 2.50143 2.50292 2.50738 2.51937 2.52408 2.52767 2.53522 2.53635 2.54273 2.55008 2.55238 2.55471 2.56606 2.57687 2.58456 2.58771 2.58938 2.60191 2.60870 2.61014 2.61497 2.62605 2.63152 2.63472 2.63844 2.65344 2.65464 2.66795 2.67433 2.68115 2.70211 2.70576 2.71723 2.72190 2.72950 2.74369 2.75451 2.76677 2.77397 2.77795 2.78815 2.79831 2.80160 2.81670 2.82417 2.83138 2.83558 2.84248 2.85537 2.86106 2.89001 2.90033 2.91191 2.91862 2.93888 2.94792 2.95859 2.97385 2.98299 2.98642 2.99991 3.00806 3.01071 3.01583 3.03723 3.04700 3.05347 3.06235 3.07006 3.10026 3.14650 3.16149 3.16318 3.17992 3.21320 3.22081 3.25076 3.29196 3.33125 3.34458 3.36130 3.39001 3.42368 3.51253 3.54138 3.57860 3.61881 3.65966 3.68006 3.78598 3.79364 3.80464 3.80583 3.80679 3.81073 3.81936 3.82034 3.82112 3.83431 3.84365 3.86093 3.87007 3.87592 3.89372 3.93034 4.00397 4.01427 4.05128 4.07833 4.11765 4.12198 4.21133 4.24632 4.27628 4.31079 4.31299 4.34010 4.41451 4.42970 4.52458 4.98941 5.05716 5.24538 5.36106 5.66485 5.86600 23.67755 23.81377 23.84052 23.84943 23.85409 23.87297 23.90765 23.91568 23.93523 23.95357 23.97733 23.97915 23.98470 23.98633 23.98810 24.16814 24.23989 49.90215 50.02244 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 49 O O 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 H H -0.136187 -0.403280 0.429683 -0.247120 -0.401982 -0.388479 0.280269 -0.667562 -0.724108 -0.600384 -0.655134 0.042251 0.088558 0.710701 -0.893247 -0.392648 -0.126746 0.030316 -0.558935 0.143435 0.159059 0.149579 0.143333 0.142985 0.149377 0.143257 0.132547 0.167982 0.161425 0.154028 0.153895 0.143364 0.144142 0.146849 0.140287 0.143908 0.143007 0.142964 0.160604 0.139922 0.176157 0.175030 0.176650 0.159191 0.173994 0.174050 0.154083 0.164988 0.153945 -0.00000 9.44500676e-01 -4.36699392e-01 -6.43513771e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.4007 -1.1100 -1.6356 3.1098 -122.1296 -117.7270 -124.4611 -8.2445 12.0861 -2.7613 -0.6904 3.7122 -3.0219 -8.2445 12.0861 -2.7613 -127.9441 -2.0380 -7.1850 -32.8752 48.6195 -56.5457 13.5514 -5.2746 6.7886 9.6017 -12132.2923 -2965.7037 -755.6221 -436.6962 377.2682 -146.2584 -24.2965 40.5031 -14.1261 -2540.9276 -2413.0468 -611.1993 -38.7272 11.1294 9.4647 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -816.6273689 4.83E-9 1.429E-6 6.2044237,-5.8636215,-0.3408022,4.8267235,7.7596252,-2.9980211 C01 [X(C17H30O2)] -1.0305936 0.3597639 0.5525799 0.000001501 0.000002682 0.000001556 -0.000000433 0.000002007 0.000000781 -0.000001853 -0.000002794 0.000001949 -0.000000166 0.000000647 -0.000001073 0.000000004 -0.000000166 0.000000567 -0.000000472 0.000000177 -0.000001208 0.000000232 -0.000000057 -0.000000151 -0.000000261 0.000004198 -0.000003248 0.000001074 0.000000647 -0.000001438 0.000000332 -0.000001428 -0.000000268 -0.000000162 -0.000000374 -0.000000312 0.000002633 -0.000001547 0.000001425 -0.000002474 -0.000005798 0.000000631 0.000001668 0.000002990 -0.000003495 -0.000000673 -0.000003259 0.000003882 -0.000003568 0.000003616 0.000002177 0.000002712 -0.000002625 -0.000003592 0.000001689 -0.000003000 0.000001635 -0.000001182 0.000000300 0.000000126 -0.000000503 -0.000000039 -0.000000158 0.000000424 -0.000000430 0.000000000 -0.000000141 0.000000038 0.000000527 -0.000001660 -0.000000207 -0.000000278 0.000000088 -0.000000143 -0.000000438 -0.000000477 -0.000000022 0.000000419 0.000000474 0.000000028 0.000000004 -0.000000661 -0.000000548 -0.000000338 0.000001201 -0.000002038 0.000001472 0.000000275 0.000000225 0.000000728 -0.000000247 -0.000000408 0.000000628 -0.000000717 0.000000795 -0.000000072 -0.000000503 -0.000000633 -0.000000039 -0.000000401 0.000000090 0.000000525 -0.000001025 -0.000001257 0.000000221 -0.000000684 0.000000113 -0.000000445 0.000000007 0.000000444 0.000000543 0.000000314 0.000000049 -0.000000141 -0.000000553 0.000000410 -0.000000370 -0.000000006 0.000001808 -0.000001425 -0.000000085 -0.000000191 0.000000552 0.000002321 0.000000390 -0.000000607 0.000001932 0.000000539 -0.000001498 -0.000002276 0.000000196 0.000000716 0.000001251 0.000000437 -0.000000265 -0.000000445 0.000001595 -0.000000490 -0.000000113 0.000000391 -0.000000743 0.000000348 0.000000075 0.000000294 0.000001029 0.000000825 -0.000000294 0.000000233 0.000001256 0.000001028 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; Gaussian 16 GINC-HAMILTON26 ALCAMI Optimization Hydroprene CONF222 octanol EM64L-G16RevC.01 141 C1[X(C17H30O2)] 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; Optimization Hydroprene CONF222 octanol 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 49 16 16 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 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 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 1.0078250 1.0078250 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 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 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 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 19 19 17 18 17 4 8 9 20 5 21 22 6 23 24 7 25 26 10 11 27 12 28 29 30 31 32 33 34 35 36 37 38 13 39 14 40 15 16 41 42 43 17 44 19 45 46 47 48 49 1.3552 1.4533 1.2227 1.5387 1.5494 1.5336 1.0989 1.5329 1.0962 1.0991 1.533 1.0936 1.0985 1.5394 1.0992 1.0976 1.5345 1.5341 1.099 1.4965 1.0982 1.0962 1.0963 1.0929 1.0947 1.0967 1.0933 1.095 1.0965 1.095 1.095 1.343 1.0879 1.4638 1.0885 1.5038 1.359 1.0851 1.0948 1.0946 1.4651 1.0846 1.5123 1.0928 1.0928 1.0933 1.0937 1.0933 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 17 4 4 4 8 8 9 3 3 3 5 5 21 4 4 4 6 6 23 5 5 5 7 7 25 6 6 6 10 10 11 3 3 3 12 12 28 3 3 3 30 30 31 7 7 7 33 33 34 7 7 7 36 36 37 8 8 13 12 12 14 13 13 15 14 14 14 41 41 42 14 14 17 1 1 2 1 1 1 19 19 45 18 18 18 47 47 48 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 19 19 19 19 19 19 18 8 9 20 9 20 20 5 21 22 21 22 22 6 23 24 23 24 24 7 25 26 25 26 26 10 11 27 11 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 13 39 39 14 40 40 15 16 16 41 42 43 42 43 43 17 44 44 2 16 16 19 45 46 45 46 46 47 48 49 48 49 49 117.1319 110.9276 112.3054 107.9997 109.7025 107.5406 108.1968 115.0123 108.8285 108.6376 108.4932 109.4159 106.082 112.4808 109.8018 109.1209 109.625 109.1667 106.461 115.2404 109.2632 108.6412 108.7223 108.4358 106.1547 112.3948 110.4033 107.64 110.3286 107.9941 107.9108 113.5899 107.9395 109.3656 108.2904 110.3996 107.0116 110.6863 111.8696 111.0547 107.7537 107.7889 107.5109 110.613 112.1912 110.9153 107.8041 107.6643 107.466 110.7404 111.4293 111.3329 107.7099 107.6413 107.8158 124.8109 115.345 119.8393 125.764 118.3439 115.8905 118.1306 117.0792 124.7897 112.3866 109.9095 109.9538 108.7441 108.8054 106.8769 127.8183 118.3361 113.8456 121.7411 109.7833 128.4756 107.3292 108.5981 108.6223 111.9096 111.893 108.3902 110.9854 109.3871 110.9908 108.329 108.7495 108.3204 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 18 18 17 17 17 8 8 8 9 9 9 20 20 20 4 4 4 9 9 9 20 20 20 4 4 4 8 8 8 20 20 20 3 3 3 21 21 21 22 22 22 4 4 4 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 3 3 28 28 29 29 8 8 39 39 12 12 40 40 13 13 13 16 16 16 13 13 15 15 14 14 44 44 1 1 1 45 45 45 46 46 46 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 18 18 18 18 18 18 18 18 18 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 19 19 19 19 19 19 19 19 19 2 16 19 45 46 5 21 22 5 21 22 5 21 22 12 28 29 12 28 29 12 28 29 30 31 32 30 31 32 30 31 32 6 23 24 6 23 24 6 23 24 7 25 26 7 25 26 7 25 26 10 11 27 10 11 27 10 11 27 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 13 39 13 39 13 39 14 40 14 40 15 16 15 16 41 42 43 41 42 43 17 44 17 44 1 2 1 2 47 48 49 47 48 49 47 48 49 0.0303 -179.8947 -179.7578 59.0829 -58.6046 172.552 50.6209 -64.4585 -64.2851 173.7838 58.7044 54.9373 -66.9938 177.9268 -64.5901 175.322 59.234 170.76 50.6721 -65.4159 53.3042 -66.7837 177.1283 -59.5691 60.6146 -179.2577 64.279 -175.5373 -55.4096 -178.6761 -58.4924 61.6353 -176.2896 61.3443 -54.9886 -54.1774 -176.5436 67.1235 61.1377 -61.2284 -177.5613 175.4382 -61.8333 53.5672 -62.0959 60.6326 176.0331 54.1634 176.8919 -67.7076 62.5999 -173.7468 -56.1924 -60.4167 63.2366 -179.209 -175.4186 -51.7653 65.7891 58.6841 -61.7296 178.0778 -65.0108 174.5755 54.3829 177.2684 56.8546 -63.3379 -62.7089 57.1627 177.5697 62.1316 -177.9969 -57.5899 179.9037 -60.2247 60.1823 119.9619 -59.247 -120.1491 60.642 -3.2982 177.493 -179.2843 0.2285 -0.1086 179.4042 -0.2482 179.5165 -179.7715 -0.0068 -179.288 59.4597 -57.9265 0.9671 -120.2852 122.3287 -179.5879 0.3906 0.1594 -179.8621 -179.2093 0.8722 0.8114 -179.1071 60.5575 -179.9678 -60.5004 179.609 -60.9163 58.5511 -58.514 60.9607 -179.5718 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00078 0.00125 0.00182 0.00210 0.00250 0.00269 0.00283 0.00321 0.00324 0.00343 0.00379 0.00389 0.00452 0.00835 0.01544 0.01909 0.01977 0.02168 0.02253 0.02598 0.02932 0.03327 0.03501 0.03660 0.03712 0.03788 0.03838 0.03898 0.03962 0.04069 0.04243 0.04253 0.04350 0.04401 0.04434 0.04461 0.04497 0.04545 0.04561 0.04606 0.04679 0.04703 0.04752 0.04782 0.05517 0.05729 0.06203 0.07128 0.07218 0.07482 0.07577 0.07788 0.09542 0.09860 0.11137 0.11744 0.11815 0.11985 0.12028 0.12110 0.12155 0.12205 0.12421 0.12831 0.13163 0.13332 0.13425 0.13475 0.13545 0.13697 0.14131 0.14169 0.14172 0.14304 0.14841 0.16509 0.16621 0.17103 0.17400 0.17711 0.18164 0.18285 0.18682 0.19162 0.19436 0.19941 0.21692 0.22585 0.22898 0.23882 0.25205 0.26802 0.27104 0.27229 0.27475 0.28056 0.28579 0.29308 0.29433 0.30401 0.30510 0.31166 0.31505 0.31690 0.31868 0.32005 0.32092 0.32153 0.32246 0.32495 0.32552 0.32651 0.32702 0.32791 0.32918 0.32946 0.32974 0.33060 0.33255 0.33352 0.33390 0.33450 0.33497 0.33523 0.33674 0.33903 0.34019 0.34184 0.34263 0.34437 0.34808 0.35036 0.35062 0.35701 0.37091 0.38499 0.43660 0.46879 0.58698 0.60683 0.77298 Angle between quadratic step and forces= 69.57 degrees. 1 2 0.00084497 0.00000047 0.00000035 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 2.56102 2.74625 2.31057 2.90779 2.92789 2.89803 2.07665 2.89669 2.07150 2.07700 2.89701 2.06666 2.07582 2.90896 2.07713 2.07425 2.89987 2.89907 2.07675 2.82793 2.07537 2.07147 2.07171 2.06520 2.06876 2.07249 2.06598 2.06923 2.07208 2.06928 2.06923 2.53790 2.05577 2.76615 2.05687 2.84176 2.56819 2.05055 2.06896 2.06853 2.76865 2.04964 2.85791 2.06514 2.06510 2.06598 2.06683 2.06597 2.04434 1.93605 1.96010 1.88495 1.91467 1.87694 1.88839 2.00734 1.89942 1.89608 1.89356 1.90967 1.85148 1.96316 1.91640 1.90452 1.91332 1.90532 1.85810 2.01132 1.90700 1.89615 1.89756 1.89256 1.85275 1.96166 1.92690 1.87867 1.92560 1.88485 1.88340 1.98252 1.88390 1.90879 1.89002 1.92684 1.86770 1.93184 1.95249 1.93827 1.88066 1.88127 1.87642 1.93056 1.95811 1.93584 1.88154 1.87910 1.87564 1.93278 1.94481 1.94312 1.87989 1.87869 1.88174 2.17836 2.01315 2.09159 2.19500 2.06549 2.02267 2.06177 2.04342 2.17799 1.96152 1.91828 1.91906 1.89794 1.89901 1.86535 2.23085 2.06535 1.98698 2.12478 1.91608 2.24232 1.87325 1.89539 1.89582 1.95319 1.95290 1.89177 1.93706 1.90916 1.93716 1.89070 1.89804 1.89055 0.00053 -3.13975 -3.13737 1.03119 -1.02284 3.01160 0.88350 -1.12501 -1.12199 3.03310 1.02458 0.95884 -1.16926 3.10541 -1.12731 3.05995 1.03383 2.98032 0.88439 -1.14172 0.93033 -1.16559 3.09147 -1.03968 1.05793 -3.12864 1.12188 -3.06370 -0.96708 -3.11849 -1.02088 1.07574 -3.07683 1.07066 -0.95973 -0.94557 -3.08127 1.17153 1.06705 -1.06864 -3.09903 3.06197 -1.07919 0.93492 -1.08378 1.05824 3.07236 0.94533 3.08735 -1.18172 1.09257 -3.03245 -0.98074 -1.05447 1.10369 -3.12779 -3.06163 -0.90347 1.14824 1.02423 -1.07739 3.10804 -1.13465 3.04692 0.94916 3.09392 0.99230 -1.10545 -1.09448 0.99768 3.09918 1.08440 -3.10663 -1.00513 3.13991 -1.05112 1.05038 2.09373 -1.03405 -2.09700 1.05840 -0.05756 3.09784 -3.12910 0.00399 -0.00190 3.13119 -0.00433 3.13315 -3.13760 -0.00012 -3.12917 1.03777 -1.01101 0.01688 -2.09937 2.13504 -3.13440 0.00682 0.00278 -3.13919 -3.12779 0.01522 0.01416 -3.12601 1.05693 -3.14103 -1.05593 3.13477 -1.06319 1.02191 -1.02126 1.06397 -3.13412 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00004 0.00002 0.00001 -0.00003 -0.00001 -0.00003 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00003 -0.00009 0.00009 0.00000 -0.00003 0.00002 0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00009 0.00011 0.00011 0.00012 -0.00007 -0.00008 -0.00007 -0.00006 -0.00007 -0.00007 -0.00007 -0.00008 -0.00007 0.00004 0.00004 0.00005 0.00004 0.00004 0.00006 0.00004 0.00003 0.00005 -0.00009 -0.00009 -0.00008 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00007 -0.00012 -0.00013 -0.00012 -0.00011 -0.00012 -0.00012 -0.00011 -0.00012 -0.00011 0.00004 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 0.00003 0.00003 0.00002 0.00002 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00046 0.00044 0.00048 0.00047 0.00043 0.00041 0.00007 -0.00010 0.00008 -0.00009 -0.00045 -0.00046 -0.00029 -0.00030 0.00159 0.00174 0.00173 0.00161 0.00175 0.00174 0.00014 0.00021 0.00013 0.00020 0.00101 0.00112 0.00095 0.00105 0.00010 0.00010 0.00009 0.00008 0.00008 0.00007 0.00009 0.00008 0.00008 0.00001 0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00004 0.00002 0.00001 -0.00003 -0.00001 -0.00003 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00003 -0.00009 0.00009 0.00000 -0.00003 0.00002 0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00009 0.00011 0.00011 0.00012 -0.00007 -0.00008 -0.00007 -0.00006 -0.00007 -0.00007 -0.00007 -0.00008 -0.00007 0.00004 0.00004 0.00005 0.00004 0.00004 0.00006 0.00004 0.00003 0.00005 -0.00009 -0.00009 -0.00008 -0.00009 -0.00009 -0.00009 -0.00008 -0.00008 -0.00007 -0.00012 -0.00013 -0.00012 -0.00011 -0.00012 -0.00012 -0.00011 -0.00012 -0.00011 0.00004 0.00003 0.00003 0.00004 0.00003 0.00003 0.00004 0.00003 0.00003 0.00002 0.00002 0.00003 0.00003 0.00003 0.00004 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00046 0.00044 0.00048 0.00047 0.00043 0.00041 0.00007 -0.00010 0.00008 -0.00009 -0.00045 -0.00046 -0.00029 -0.00030 0.00159 0.00174 0.00173 0.00161 0.00175 0.00174 0.00014 0.00021 0.00013 0.00020 0.00101 0.00112 0.00095 0.00105 0.00010 0.00010 0.00009 0.00008 0.00008 0.00007 0.00009 0.00008 0.00008 2.56103 2.74626 2.31057 2.90780 2.92786 2.89803 2.07666 2.89669 2.07151 2.07700 2.89701 2.06666 2.07582 2.90896 2.07713 2.07425 2.89987 2.89908 2.07675 2.82794 2.07538 2.07148 2.07172 2.06521 2.06876 2.07249 2.06599 2.06924 2.07209 2.06929 2.06923 2.53790 2.05577 2.76615 2.05688 2.84175 2.56819 2.05056 2.06899 2.06852 2.76866 2.04964 2.85790 2.06515 2.06510 2.06598 2.06683 2.06597 2.04433 1.93604 1.96009 1.88495 1.91468 1.87694 1.88839 2.00734 1.89942 1.89608 1.89357 1.90967 1.85148 1.96317 1.91640 1.90452 1.91332 1.90532 1.85809 2.01132 1.90700 1.89615 1.89756 1.89257 1.85275 1.96165 1.92691 1.87867 1.92560 1.88485 1.88340 1.98256 1.88392 1.90880 1.89000 1.92682 1.86768 1.93184 1.95250 1.93827 1.88065 1.88127 1.87642 1.93056 1.95811 1.93584 1.88153 1.87909 1.87564 1.93279 1.94481 1.94312 1.87989 1.87869 1.88174 2.17835 2.01315 2.09160 2.19501 2.06548 2.02266 2.06178 2.04342 2.17798 1.96151 1.91825 1.91909 1.89785 1.89910 1.86536 2.23082 2.06538 1.98699 2.12479 1.91609 2.24230 1.87325 1.89537 1.89582 1.95319 1.95291 1.89177 1.93706 1.90916 1.93716 1.89070 1.89804 1.89054 0.00053 -3.13966 -3.13726 1.03131 -1.02272 3.01153 0.88343 -1.12509 -1.12205 3.03303 1.02452 0.95877 -1.16934 3.10533 -1.12727 3.05998 1.03388 2.98037 0.88444 -1.14166 0.93037 -1.16556 3.09152 -1.03976 1.05784 -3.12872 1.12179 -3.06380 -0.96717 -3.11856 -1.02096 1.07567 -3.07696 1.07053 -0.95985 -0.94569 -3.08139 1.17141 1.06694 -1.06876 -3.09914 3.06201 -1.07917 0.93495 -1.08373 1.05827 3.07239 0.94537 3.08737 -1.18169 1.09259 -3.03244 -0.98072 -1.05444 1.10372 -3.12775 -3.06160 -0.90345 1.14827 1.02427 -1.07734 3.10809 -1.13461 3.04696 0.94920 3.09395 0.99234 -1.10542 -1.09446 0.99770 3.09920 1.08441 -3.10662 -1.00512 3.13992 -1.05111 1.05039 2.09419 -1.03361 -2.09651 1.05887 -0.05714 3.09825 -3.12904 0.00388 -0.00181 3.13111 -0.00478 3.13269 -3.13789 -0.00042 -3.12757 1.03951 -1.00928 0.01849 -2.09762 2.13678 -3.13426 0.00703 0.00291 -3.13899 -3.12678 0.01634 0.01511 -3.12496 1.05703 -3.14093 -1.05584 3.13485 -1.06311 1.02198 -1.02117 1.06405 -3.13404 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.005427 0.000845 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.308799e-08 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 19 19 17 18 17 4 8 9 20 5 21 22 6 23 24 7 25 26 10 11 27 12 28 29 30 31 32 33 34 35 36 37 38 13 39 14 40 15 16 41 42 43 17 44 19 45 46 47 48 49 1.3552 1.4533 1.2227 1.5387 1.5494 1.5336 1.0989 1.5329 1.0962 1.0991 1.533 1.0936 1.0985 1.5394 1.0992 1.0976 1.5345 1.5341 1.099 1.4965 1.0982 1.0962 1.0963 1.0929 1.0947 1.0967 1.0933 1.095 1.0965 1.095 1.095 1.343 1.0879 1.4638 1.0885 1.5038 1.359 1.0851 1.0948 1.0946 1.4651 1.0846 1.5123 1.0928 1.0928 1.0933 1.0937 1.0933 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 17 4 4 4 8 8 9 3 3 3 5 5 21 4 4 4 6 6 23 5 5 5 7 7 25 6 6 6 10 10 11 3 3 3 12 12 28 3 3 3 30 30 31 7 7 7 33 33 34 7 7 7 36 36 37 8 8 13 12 12 14 13 13 15 14 14 14 41 41 42 14 14 17 1 1 2 1 1 1 19 19 45 18 18 18 47 47 48 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 19 19 19 19 19 19 18 8 9 20 9 20 20 5 21 22 21 22 22 6 23 24 23 24 24 7 25 26 25 26 26 10 11 27 11 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 13 39 39 14 40 40 15 16 16 41 42 43 42 43 43 17 44 44 2 16 16 19 45 46 45 46 46 47 48 49 48 49 49 117.1319 110.9276 112.3054 107.9997 109.7025 107.5406 108.1968 115.0123 108.8285 108.6376 108.4932 109.4159 106.082 112.4808 109.8018 109.1209 109.625 109.1667 106.461 115.2404 109.2632 108.6412 108.7223 108.4358 106.1547 112.3948 110.4033 107.64 110.3286 107.9941 107.9108 113.5899 107.9395 109.3656 108.2904 110.3996 107.0116 110.6863 111.8696 111.0547 107.7537 107.7889 107.5109 110.613 112.1912 110.9153 107.8041 107.6643 107.466 110.7404 111.4293 111.3329 107.7099 107.6413 107.8158 124.8109 115.345 119.8393 125.764 118.3439 115.8905 118.1306 117.0792 124.7897 112.3866 109.9095 109.9538 108.7441 108.8054 106.8769 127.8183 118.3361 113.8456 121.7411 109.7833 128.4756 107.3292 108.5981 108.6223 111.9096 111.893 108.3902 110.9854 109.3871 110.9908 108.329 108.7495 108.3204 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 18 18 17 17 17 8 8 8 9 9 9 20 20 20 4 4 4 9 9 9 20 20 20 4 4 4 8 8 8 20 20 20 3 3 3 21 21 21 22 22 22 4 4 4 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 3 3 28 28 29 29 8 8 39 39 12 12 40 40 13 13 13 16 16 16 13 13 15 15 14 14 44 44 1 1 1 45 45 45 46 46 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 18 18 18 18 18 18 18 18 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 19 19 19 19 19 19 19 19 2 16 19 45 46 5 21 22 5 21 22 5 21 22 12 28 29 12 28 29 12 28 29 30 31 32 30 31 32 30 31 32 6 23 24 6 23 24 6 23 24 7 25 26 7 25 26 7 25 26 10 11 27 10 11 27 10 11 27 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 13 39 13 39 13 39 14 40 14 40 15 16 15 16 41 42 43 41 42 43 17 44 17 44 1 2 1 2 47 48 49 47 48 49 47 48 0.0303 -179.8947 -179.7578 59.0829 -58.6046 172.552 50.6209 -64.4585 -64.2851 173.7838 58.7044 54.9373 -66.9938 177.9268 -64.5901 175.322 59.234 170.76 50.6721 -65.4159 53.3042 -66.7837 177.1283 -59.5691 60.6146 -179.2577 64.279 -175.5373 -55.4096 -178.6761 -58.4924 61.6353 -176.2896 61.3443 -54.9886 -54.1774 -176.5436 67.1235 61.1377 -61.2284 -177.5613 175.4382 -61.8333 53.5672 -62.0959 60.6326 176.0331 54.1634 176.8919 -67.7076 62.5999 -173.7468 -56.1924 -60.4167 63.2366 -179.209 -175.4186 -51.7653 65.7891 58.6841 -61.7296 178.0778 -65.0108 174.5755 54.3829 177.2684 56.8546 -63.3379 -62.7089 57.1627 177.5697 62.1316 -177.9969 -57.5899 179.9037 -60.2247 60.1823 119.9619 -59.247 -120.1491 60.642 -3.2982 177.493 -179.2843 0.2285 -0.1086 179.4042 -0.2482 179.5165 -179.7715 -0.0068 -179.288 59.4597 -57.9265 0.9671 -120.2852 122.3287 -179.5879 0.3906 0.1594 -179.8621 -179.2093 0.8722 0.8114 -179.1071 60.5575 -179.9678 -60.5004 179.609 -60.9163 58.5511 -58.514 60.9607 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 74 74 1363.6359415781 49 49 49 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 -0.0439961046 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.252807 0.000000 8.164455 7.841582 0.000000 7.782553 7.612132 1.538736 0.000000 8.953710 8.660232 2.590739 1.532863 0.000000 8.891047 8.733924 3.945150 2.548914 1.533033 0.000000 10.198567 9.924398 5.180156 3.947206 2.594685 1.539355 0.000000 7.162158 6.952281 1.549371 2.543892 3.939488 5.083198 6.461958 0.000000 9.478694 9.290326 1.533572 2.551631 3.146300 4.565897 5.618180 2.520816 0.000000 11.436666 11.253371 5.603402 4.566395 3.136992 2.554288 1.534546 7.005076 5.623221 0.000000 10.294831 10.133160 6.443015 5.063245 3.923745 2.523837 1.534124 7.578594 6.989318 2.518744 0.000000 5.977144 5.525092 2.548674 3.087614 4.451988 5.365575 6.750071 1.496476 3.870099 7.574374 7.704203 0.000000 4.680841 4.499986 3.620581 3.736729 5.144111 5.751562 7.202364 2.517481 4.924122 8.150559 7.937340 1.342998 0.000000 3.621926 3.061401 4.872608 4.848843 6.100653 6.514764 7.878350 3.893386 6.270746 9.001284 8.442641 2.498837 1.463783 0.000000 4.431929 3.036087 5.244523 5.358298 6.412060 6.901330 8.109189 4.461603 6.700731 9.293512 8.720317 2.967146 2.545533 1.503793 0.000000 2.308091 2.422947 5.937458 5.723580 6.977609 7.177492 8.556519 4.920956 7.281445 9.718910 8.931589 3.675690 2.408481 1.359027 2.537809 0.000000 1.355234 1.222700 7.303874 7.025411 8.175344 8.238096 9.526194 6.337668 8.692123 10.789265 9.746155 5.016722 3.821397 2.536779 3.116354 1.465108 0.000000 1.453253 2.673265 9.550949 9.133159 10.235944 10.082122 11.314462 8.575335 10.895750 12.613879 11.290588 7.338607 6.073495 4.904207 5.460102 3.668642 2.396862 0.000000 2.389226 4.151471 10.416114 9.926390 11.049769 10.808130 12.058468 9.415284 11.675028 13.303916 11.944395 8.312642 6.990540 6.007449 6.774158 4.675761 3.657961 1.512339 0.000000 8.464361 7.844939 1.098918 2.149506 2.781497 4.189307 5.241295 2.152778 2.147562 5.737842 6.557314 2.721933 3.944695 4.994991 5.042399 6.195455 7.470250 9.795182 10.784257 0.000000 6.861217 6.601133 2.158264 1.096193 2.148784 2.729183 4.161656 2.692235 3.484235 5.088715 5.066626 2.659418 3.075427 3.978779 4.461833 4.832945 6.061819 8.172152 9.026241 2.510664 0.000000 7.719887 7.867613 2.157938 1.099099 2.162822 2.799260 4.262056 2.801691 2.770120 4.738232 5.230610 3.508922 3.907472 5.112648 5.885280 5.789868 7.132597 9.098792 9.739537 3.053429 1.754184 0.000000 9.856199 9.645863 2.854771 2.163677 1.093628 2.161574 2.862574 4.305445 2.831979 2.824930 4.287349 5.107524 5.889027 6.972821 7.332178 7.855336 9.113001 11.173874 11.936353 3.141399 3.056508 2.500717 0.000000 9.222949 8.657734 2.798072 2.158570 1.098476 2.159308 2.797602 4.188961 3.468025 3.439051 4.180461 4.532843 5.361547 6.186969 6.236031 7.189496 8.318014 10.460892 11.394802 2.538221 2.517612 3.065981 1.755988 0.000000 8.869631 8.989888 4.258187 2.802601 2.161063 1.099169 2.159628 5.258438 4.719989 2.788002 2.773707 5.659846 5.905672 6.752063 7.353624 7.267919 8.364016 10.081875 10.666719 4.746117 3.081272 2.603930 2.492076 3.065007 0.000000 8.046319 7.819877 4.164946 2.727472 2.151918 1.097645 2.154792 5.084150 5.091708 3.485570 2.676058 5.056422 5.272183 5.830112 6.171259 6.428303 7.380293 9.176250 9.945073 4.331177 2.448338 3.068797 3.057500 2.525376 1.756238 0.000000 10.375788 9.860377 5.245096 4.187790 2.790114 2.145375 1.098968 6.567885 5.775142 2.145809 2.144353 6.747355 7.300428 7.883824 7.908882 8.669032 9.587432 11.458810 12.317788 5.074006 4.312936 4.746745 3.165143 2.543486 3.051602 2.492565 0.000000 7.799444 7.499759 2.157519 3.477200 4.736340 6.009871 7.313711 1.098237 2.654534 7.745772 8.515589 2.115922 3.202946 4.487845 4.902613 5.558997 6.942222 9.195315 10.057930 2.499940 3.721799 3.758636 4.959913 4.870103 6.219067 6.077793 7.353575 0.000000 6.990858 7.130591 2.174513 2.770974 4.246187 5.224904 6.680355 1.096177 2.795708 7.158173 7.703655 2.141172 2.647021 4.110662 4.990070 4.889774 6.352154 8.437500 9.119448 3.060667 2.987784 2.579893 4.526311 4.739249 5.169073 5.267603 6.956718 1.764127 0.000000 9.449986 9.522040 2.177508 2.806031 3.517629 4.731813 5.860808 2.801832 1.096304 5.776301 7.129966 4.234164 5.077173 6.498383 7.148312 7.356129 8.801111 10.889444 11.539294 3.067307 3.770141 2.574336 3.113978 4.111653 4.627649 5.305615 6.207965 3.026404 2.630830 0.000000 10.277866 10.015314 2.189696 2.830603 2.847888 4.276079 5.075553 3.488915 1.092858 4.878790 6.527257 4.709583 5.779889 7.059738 7.388359 8.090713 9.466721 11.673843 12.473455 2.495529 3.845785 3.149791 2.246656 3.079954 4.511913 4.968350 5.190547 3.663029 3.812844 1.768300 0.000000 9.891892 9.618248 2.180962 3.504792 4.141550 5.607240 6.615865 2.734611 1.094742 6.587980 8.020439 4.094803 5.247259 6.581322 6.918103 7.653140 9.060759 11.307973 12.122953 2.504655 4.316804 3.770595 3.832777 4.293165 5.808352 6.087887 6.681551 2.404489 3.119939 1.770218 1.764301 0.000000 11.451359 11.482651 5.820738 4.715540 3.486294 2.801130 2.177751 7.131052 5.728403 1.096714 2.809936 7.792316 8.274022 9.194425 9.653069 9.810574 10.914633 12.647992 13.224875 6.148428 5.298673 4.629253 3.067079 4.066920 2.585911 3.774649 3.065585 7.901671 7.116467 5.670898 5.058943 6.736695 0.000000 11.629755 11.366301 5.073168 4.294512 2.851905 2.847193 2.194854 6.556261 4.905551 1.093272 3.485146 7.257215 7.988669 8.933969 9.176402 9.764461 10.910046 12.863156 13.607060 5.148037 4.975098 4.561205 2.266391 3.044388 3.191762 3.853942 2.488051 7.179944 6.782003 5.150396 4.044217 5.792034 1.769535 0.000000 12.340415 12.093630 6.612064 5.612747 4.142288 3.505923 2.180261 8.042065 6.606414 1.094992 2.728668 8.573527 9.159556 9.950002 10.164806 10.668024 11.683612 13.472162 14.173200 6.657174 6.085879 5.827135 3.840555 4.279540 3.778730 4.314154 2.511803 8.759021 8.234560 6.800229 5.791910 7.526807 1.769346 1.764330 0.000000 10.295965 10.373189 6.700321 5.252676 4.263909 2.797060 2.178823 7.756897 7.157931 2.787891 1.096500 7.963175 8.095223 8.663250 9.115293 9.035250 9.875246 11.303247 11.827922 6.983371 5.312855 5.188356 4.523679 4.760319 2.596698 3.035378 3.065791 8.726640 7.726792 7.130038 6.750298 8.229950 2.633249 3.815459 3.082742 0.000000 9.566397 9.334984 6.536500 5.126316 4.179485 2.762388 2.186346 7.536067 7.301467 3.482663 1.095018 7.448657 7.563092 7.894106 8.113883 8.319820 9.015015 10.484926 11.173044 6.597429 4.893259 5.362444 4.778542 4.343183 3.122059 2.454955 2.497316 8.514460 7.697831 7.489345 6.959215 8.314998 3.817519 4.344053 3.741844 1.769708 0.000000 11.286554 11.046236 7.326608 6.018461 4.759427 3.486980 2.185120 8.536610 7.794910 2.759837 1.094989 8.675563 8.961009 9.435849 9.625214 9.948494 10.719313 12.237846 12.906236 7.358355 6.059739 6.236435 5.012233 4.879215 3.783929 3.689986 2.495599 9.434814 8.708774 7.980853 7.227454 8.797778 3.161176 3.752417 2.514446 1.768911 1.769681 0.000000 6.371590 5.524740 2.867543 3.518241 4.648552 5.621650 6.870064 2.194688 4.221257 7.745831 7.866598 1.087867 2.107368 2.750647 2.619345 4.083396 5.251487 7.640582 8.754275 2.597723 3.041775 4.189052 5.350696 4.466211 6.102259 5.266875 6.691313 2.523910 3.088043 4.811817 4.931263 4.337175 8.107344 7.383233 8.679060 8.265287 7.566661 8.768893 0.000000 4.595666 4.931692 3.871363 3.838589 5.312787 5.816897 7.331525 2.727517 4.993357 8.199341 8.000775 2.091978 1.088451 2.172276 3.510975 2.568113 4.028779 6.043727 6.747392 4.452523 3.309701 3.694476 5.969134 5.735569 5.765505 5.408722 7.587006 3.468720 2.395839 4.907071 5.894461 5.386305 8.177452 8.085441 9.244544 8.010537 7.683070 9.064885 3.062842 0.000000 4.067643 2.246792 6.305823 6.327773 7.315849 7.673166 8.821048 5.535691 7.775405 10.085118 9.303041 4.039357 3.472851 2.163742 1.085105 2.694894 2.714156 4.861686 6.279031 6.081730 5.372301 6.835444 8.278952 7.114301 8.130565 6.852685 8.592582 5.970398 6.016858 8.213074 8.443238 8.001635 10.459810 10.034844 10.916536 9.710380 8.601164 10.179503 3.690322 4.326845 0.000000 5.148503 3.737451 4.803643 4.800518 5.665679 6.124823 7.231494 4.338967 6.307483 8.448833 7.858751 2.928723 2.822038 2.140424 1.094847 3.239987 3.858506 6.161969 7.471360 4.469856 3.873681 5.469044 6.628894 5.379793 6.692698 5.377909 6.949380 4.873559 4.989331 6.849465 6.864138 6.608188 8.888143 8.342105 9.271828 8.339524 7.249524 8.717048 2.395848 3.828797 1.771911 0.000000 5.163665 3.771867 5.222162 5.642228 6.738293 7.434208 8.643346 4.326966 6.577820 9.728350 9.397271 2.911980 2.811847 2.140813 1.094621 3.251111 3.880454 6.182574 7.484547 4.935193 4.890159 6.214078 7.570146 6.499382 7.915476 6.814720 8.397098 4.522960 4.961304 7.090876 7.309986 6.621506 10.114752 9.493536 10.611866 9.820652 8.867044 10.288915 2.378828 3.823552 1.772406 1.758620 0.000000 2.379259 3.301219 5.968151 5.680388 6.997534 7.145996 8.584807 4.907376 7.193217 9.665066 8.928712 3.906896 2.564008 2.103007 3.501082 1.084623 2.146579 3.832451 4.512947 6.409375 4.890894 5.539382 7.800424 7.368596 7.072659 6.473474 8.830710 5.589074 4.634952 7.105552 8.038508 7.610254 9.635487 9.736911 10.649438 8.903095 8.384845 9.983075 4.555207 2.243794 3.770261 4.122593 4.129632 0.000000 2.078275 2.635742 9.699986 9.173987 10.151297 9.888158 11.021410 8.863644 11.103933 12.386434 10.898876 7.578538 6.368045 5.127432 5.507968 4.002646 2.664460 1.092826 2.171369 9.875419 8.158421 9.208419 11.137653 10.320477 9.946703 8.919079 11.119406 9.547472 8.801486 11.155459 11.807244 11.574313 12.470178 12.694084 13.186053 10.958403 10.027062 11.794680 7.793855 6.434524 4.818296 6.060898 6.337289 4.306269 0.000000 2.078565 2.629341 9.927459 9.656710 10.802679 10.765480 12.011853 8.869538 11.276840 13.311973 12.072240 7.577467 6.367883 5.121003 5.491961 4.002280 2.661475 1.092805 2.171148 10.104351 8.699628 9.688829 11.740724 10.958293 10.827806 9.866479 12.090594 9.383775 8.801293 11.325667 12.089572 11.597543 13.394771 13.498146 14.179828 12.143476 11.266088 13.015925 7.789139 6.441594 4.791151 6.299121 6.072330 4.314068 1.772577 0.000000 2.652303 4.572810 10.435219 10.054382 11.274009 11.135910 12.459905 9.322855 11.617268 13.636175 12.437843 8.297188 6.969614 6.103236 6.980906 4.769795 3.938541 2.160246 1.093268 10.861131 9.221020 9.807187 12.105427 11.662504 10.946685 10.339357 12.753956 9.890880 8.956137 11.425819 12.476631 12.003341 13.514853 13.881831 14.551885 12.285835 11.729905 13.436721 8.807371 6.636777 6.575587 7.772104 7.577674 4.469773 3.079526 2.516202 0.000000 3.343592 4.780401 11.446975 10.942339 12.027706 11.740152 12.943263 10.459482 12.730187 14.224320 12.761676 9.316633 8.008401 6.953438 7.595601 5.651679 4.505295 2.140450 1.093719 11.778234 10.016422 10.781175 12.936853 12.341668 11.618564 10.843138 13.178202 11.093220 10.192707 12.614542 13.516744 13.176264 14.161380 14.558502 15.064067 12.657157 11.947109 13.691731 9.703633 7.812324 6.995108 8.284522 8.300837 5.571085 2.507661 2.507689 1.772993 0.000000 2.651919 4.576675 10.218275 9.590210 10.649590 10.287669 11.505279 9.317020 11.448812 12.731524 11.299152 8.298024 6.969586 6.108568 6.993597 4.769970 3.940564 2.160311 1.093264 10.647776 8.710681 9.331281 11.519644 11.063591 10.073292 9.436855 11.834671 10.046532 8.956039 11.256372 12.202297 11.980615 12.596285 13.098994 13.582499 11.112441 10.542050 12.254034 8.811487 6.629617 6.595584 7.579860 7.792234 4.461936 2.516768 3.079408 1.777309 1.772894 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0298,.8387,-.6266;-4.6742,.3647,1.5469;2.5106,-2.2598,-.1796;2.5875,-.7465,-.4475;3.8507,-.058,.0816;3.8259,1.4594,-.1355;5.0139,2.2286,.47;1.125,-2.8236,-.5833;3.6161,-3.0363,-.9054;6.3551,1.8167,-.1517;4.8015,3.741,.3252;-.0041,-2.2801,.2347;-1.0472,-1.5932,-.259;-2.1543,-1.0399,.5226;-2.1465,-1.2517,2.0114;-3.116,-.364,-.1595;-4.3119,.2868,.3817;-6.2551,1.5318,-.2656;-6.8737,2.0491,-1.545;2.6313,-2.42,.9008;1.7131,-.2626,.003;2.5052,-.5768,-1.5303;4.7347,-.4838,-.4014;3.9515,-.2671,1.1553;3.7812,1.6708,-1.2132;2.8982,1.86,.2931;5.0507,1.9936,1.543;1.1521,-3.9136,-.4522;.9514,-2.6329,-1.6487;3.5479,-2.8854,-1.9891;4.6124,-2.7195,-.5869;3.5345,-4.1106,-.7115;6.3474,1.9883,-1.2348;6.5818,.7607,.0179;7.1782,2.4016,.2716;4.7593,4.0277,-.7323;3.865,4.0602,.7945;5.6178,4.3041,.7894;.0656,-2.4635,1.3047;-1.0874,-1.4152,-1.3321;-3.0139,-.815,2.4955;-1.2427,-.8122,2.4457;-2.1188,-2.3226,2.2362;-3.0182,-.2761,-1.2361;-6.0068,2.3422,.4242;-6.9142,.8294,.2507;-7.1095,1.2272,-2.2262;-7.8014,2.5791,-1.3113;-6.1995,2.744,-2.0528; 0.4351989 0.1048795 0.0906998 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= 598 RedAO= T EigKep= 1.45D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.49D-07 NBFU= 597 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= 592 589 590 592 592 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.627368879781 -816.627368880 1 8.127448731601e+02 -4.625036634111e+03 1.632073996115e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414803940 LenY= 1414422634 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= 49. Will process 50 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 15303 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= 700000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 3.87D-14 1.00D-09 XBig12= 2.88D+02 1.30D+01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 3.87D-14 1.00D-09 XBig12= 2.66D+01 1.18D+00. 147 vectors produced by pass 2 Test12= 3.87D-14 1.00D-09 XBig12= 4.18D-01 7.79D-02. 147 vectors produced by pass 3 Test12= 3.87D-14 1.00D-09 XBig12= 1.55D-03 3.74D-03. 147 vectors produced by pass 4 Test12= 3.87D-14 1.00D-09 XBig12= 3.38D-06 1.56D-04. 98 vectors produced by pass 5 Test12= 3.87D-14 1.00D-09 XBig12= 4.64D-09 3.34D-06. 16 vectors produced by pass 6 Test12= 3.87D-14 1.00D-09 XBig12= 5.85D-12 2.21D-07. 3 vectors produced by pass 7 Test12= 3.87D-14 1.00D-09 XBig12= 7.85D-15 9.65D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 852 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 309.51 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 376.475 -70.155 286.625 9.161 -8.577 265.433 368.738 -70.850 293.449 13.505 -13.383 290.843 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT64743.600S 2024-09-20T17:34:56.000 -19.16525 -19.11119 -10.30455 -10.22194 -10.20739 -10.17979 -10.17619 -10.17191 -10.16869 -10.16496 -10.16331 -10.15934 -10.15929 -10.15230 -10.15189 -10.15152 -10.14923 -10.14712 -10.14682 -1.10458 -1.01738 -0.83933 -0.81719 -0.80098 -0.78048 -0.76207 -0.73546 -0.71112 -0.68235 -0.67493 -0.66673 -0.64845 -0.60477 -0.59062 -0.56174 -0.55521 -0.54705 -0.53217 -0.50321 -0.49122 -0.48093 -0.47203 -0.46691 -0.45087 -0.43694 -0.43122 -0.43006 -0.42775 -0.41912 -0.41427 -0.41303 -0.39951 -0.39121 -0.38823 -0.37686 -0.37589 -0.37497 -0.37273 -0.36105 -0.35671 -0.35341 -0.35193 -0.34834 -0.34307 -0.33210 -0.32100 -0.31650 -0.31161 -0.31058 -0.30768 -0.30633 -0.29492 -0.28212 -0.23670 -0.06813 0.00658 0.01191 0.01697 0.02021 0.02180 0.02766 0.03276 0.03360 0.03548 0.03919 0.04471 0.04670 0.04953 0.05225 0.05606 0.05955 0.06411 0.06658 0.06808 0.06944 0.07396 0.07496 0.07928 0.08042 0.08712 0.08991 0.09161 0.09426 0.09900 0.10035 0.10501 0.10662 0.10804 0.11607 0.11918 0.11984 0.12362 0.12522 0.12792 0.12850 0.13478 0.14065 0.14191 0.14621 0.15119 0.15184 0.15611 0.15861 0.16459 0.16808 0.17293 0.17428 0.17540 0.17757 0.18433 0.18853 0.19018 0.19430 0.19741 0.19849 0.20135 0.20263 0.20547 0.20740 0.20854 0.21103 0.21194 0.21394 0.21802 0.22019 0.22100 0.22470 0.22882 0.22997 0.23430 0.23781 0.23938 0.24152 0.24384 0.24571 0.25047 0.25348 0.25477 0.25673 0.26018 0.26266 0.26579 0.26862 0.27488 0.27768 0.27845 0.28002 0.28419 0.28650 0.28883 0.29234 0.29784 0.29900 0.30036 0.30276 0.30511 0.31211 0.31495 0.31713 0.32383 0.32833 0.32860 0.33572 0.33901 0.34755 0.35405 0.35833 0.36741 0.37650 0.38111 0.38123 0.38345 0.39292 0.40368 0.40475 0.41463 0.42006 0.42480 0.42567 0.43254 0.44098 0.44398 0.45850 0.46378 0.46568 0.47395 0.48651 0.49368 0.49937 0.50234 0.50886 0.51046 0.51726 0.52135 0.52645 0.53026 0.53502 0.54424 0.55898 0.56068 0.56588 0.56935 0.58129 0.58529 0.58620 0.59854 0.60828 0.61218 0.61524 0.62288 0.62813 0.63135 0.63423 0.64037 0.64796 0.65108 0.65496 0.65593 0.66075 0.66543 0.66690 0.67015 0.67678 0.67992 0.68702 0.69019 0.69403 0.69647 0.70047 0.70514 0.71044 0.71574 0.72058 0.72282 0.72828 0.72948 0.73695 0.74438 0.74495 0.74981 0.75336 0.75483 0.76151 0.76394 0.76882 0.77522 0.77815 0.79081 0.79294 0.79978 0.80402 0.81061 0.81888 0.83016 0.83503 0.83958 0.85333 0.86974 0.88073 0.88970 0.89707 0.91756 0.92831 0.93677 0.95052 0.96224 0.96982 0.98013 0.98170 0.99052 0.99621 1.00128 1.02383 1.02703 1.03478 1.03672 1.06671 1.06989 1.08193 1.08981 1.09629 1.10681 1.11504 1.12574 1.13571 1.15546 1.16027 1.17455 1.18172 1.19229 1.19410 1.20477 1.20950 1.22720 1.25075 1.25419 1.26166 1.27246 1.27838 1.28182 1.32185 1.33536 1.34768 1.39944 1.40233 1.41475 1.42677 1.44039 1.45147 1.46288 1.46477 1.46955 1.47410 1.47602 1.47752 1.48723 1.49158 1.50075 1.50486 1.51608 1.52053 1.53074 1.53927 1.54649 1.55166 1.55555 1.56400 1.56979 1.57237 1.57774 1.58473 1.58717 1.59148 1.59770 1.60228 1.61554 1.61732 1.62076 1.62364 1.63198 1.63415 1.64301 1.64466 1.65555 1.66260 1.66569 1.66627 1.67922 1.68356 1.69175 1.69657 1.70496 1.71046 1.71791 1.72904 1.73789 1.73880 1.74652 1.75470 1.76596 1.76749 1.77157 1.77665 1.78528 1.78932 1.80349 1.80606 1.81142 1.81918 1.82126 1.83063 1.84359 1.85022 1.86887 1.87109 1.87763 1.88876 1.91862 1.92386 1.93290 1.95698 1.96861 1.97539 1.98415 1.99342 2.00002 2.01318 2.02443 2.03562 2.04830 2.06692 2.07658 2.08089 2.09380 2.10026 2.10493 2.12134 2.12282 2.13293 2.13768 2.14864 2.14906 2.16921 2.18072 2.20071 2.20154 2.21548 2.23138 2.24065 2.24806 2.25548 2.28296 2.29807 2.29838 2.30996 2.32675 2.33450 2.35168 2.35882 2.36918 2.37224 2.39257 2.40202 2.41611 2.43812 2.44869 2.45203 2.45827 2.46531 2.46705 2.47879 2.48593 2.50143 2.50292 2.50738 2.51937 2.52408 2.52767 2.53522 2.53635 2.54273 2.55008 2.55238 2.55471 2.56606 2.57687 2.58456 2.58771 2.58938 2.60191 2.60870 2.61014 2.61497 2.62605 2.63152 2.63472 2.63844 2.65344 2.65464 2.66795 2.67433 2.68115 2.70211 2.70576 2.71723 2.72190 2.72950 2.74369 2.75451 2.76677 2.77397 2.77795 2.78815 2.79831 2.80160 2.81670 2.82417 2.83138 2.83558 2.84248 2.85537 2.86106 2.89001 2.90033 2.91191 2.91862 2.93888 2.94792 2.95859 2.97385 2.98299 2.98642 2.99991 3.00806 3.01071 3.01583 3.03723 3.04700 3.05347 3.06235 3.07006 3.10026 3.14650 3.16149 3.16318 3.17992 3.21320 3.22081 3.25076 3.29196 3.33125 3.34458 3.36130 3.39001 3.42368 3.51253 3.54138 3.57860 3.61881 3.65966 3.68006 3.78598 3.79364 3.80464 3.80583 3.80679 3.81073 3.81936 3.82034 3.82112 3.83431 3.84365 3.86093 3.87007 3.87592 3.89372 3.93034 4.00397 4.01427 4.05128 4.07833 4.11765 4.12198 4.21133 4.24632 4.27628 4.31079 4.31299 4.34010 4.41451 4.42970 4.52458 4.98941 5.05716 5.24538 5.36106 5.66485 5.86600 23.67755 23.81377 23.84052 23.84943 23.85409 23.87297 23.90765 23.91568 23.93523 23.95357 23.97733 23.97915 23.98470 23.98633 23.98810 24.16814 24.23989 49.90215 50.02244 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 49 O O 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 H H -0.136187 -0.403280 0.429683 -0.247120 -0.401982 -0.388479 0.280269 -0.667562 -0.724108 -0.600384 -0.655134 0.042250 0.088558 0.710701 -0.893247 -0.392648 -0.126746 0.030316 -0.558935 0.143435 0.159059 0.149579 0.143333 0.142985 0.149377 0.143257 0.132547 0.167982 0.161425 0.154028 0.153895 0.143364 0.144142 0.146849 0.140287 0.143908 0.143006 0.142964 0.160604 0.139922 0.176157 0.175030 0.176650 0.159191 0.173994 0.174050 0.154083 0.164988 0.153945 -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 O O C C C C C C C C C C C C C C C C C -0.136187 -0.403280 0.573117 0.061517 -0.115664 -0.095845 0.412816 -0.338154 -0.272821 -0.169106 -0.225256 0.202854 0.228481 0.710701 -0.365410 -0.233457 -0.126746 0.378360 -0.085919 -0.00000 9.44500307e-01 -4.36698960e-01 -6.43514419e-01 3.76474646e+02 -7.01550164e+01 2.86624662e+02 9.16071146e+00 -8.57662010e+00 2.65433312e+02 -1.8133 -0.0012 -0.0006 0.0006 3.0700 6.1595 13.4374 21.6461 23.1477 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.9783 21.6150 23.1065 43.9208 54.1230 59.1034 68.4190 85.5671 93.2623 101.9012 120.8759 128.4911 135.8732 142.5715 191.5891 209.6266 231.8893 241.5703 243.6534 249.5863 255.7086 271.5525 283.0757 293.9323 326.2788 340.6935 387.7735 405.9052 416.3006 425.0276 449.6513 466.7712 482.7479 512.2226 559.6845 629.7213 749.6202 751.8743 774.9876 796.2823 827.3835 832.0673 840.6122 850.1708 875.7211 895.6750 902.0921 919.7194 936.2264 945.0195 954.1873 967.9980 981.8382 992.8583 1002.7250 1028.5036 1032.5050 1044.2714 1054.4228 1058.4236 1063.5283 1074.5779 1104.3480 1133.7071 1141.3573 1150.5671 1162.1452 1171.9440 1174.8286 1188.9852 1209.9068 1245.8159 1262.9955 1280.1586 1294.0639 1301.7643 1306.5982 1329.8935 1337.0459 1344.4749 1348.6421 1364.0013 1364.1613 1377.2115 1383.9000 1389.4715 1396.1356 1398.6623 1404.6912 1408.6342 1414.7586 1420.5544 1429.0485 1468.2961 1470.5541 1472.9143 1473.4787 1475.9754 1479.4418 1482.5742 1484.2736 1484.7531 1487.3236 1490.7861 1493.4874 1497.4406 1499.7953 1505.7437 1629.2202 1670.7258 1696.2675 2980.3597 2983.6903 2986.5896 2990.0419 2995.4498 2998.6232 3003.7408 3009.3271 3011.5598 3019.2648 3030.4743 3030.4949 3030.7613 3043.0636 3048.8834 3061.4864 3062.7951 3067.1996 3069.3571 3071.8810 3075.7641 3084.1159 3085.5714 3089.6947 3100.5441 3109.3030 3125.6875 3140.3729 3170.3955 3172.1620 4.1651 2.4516 4.2390 3.2332 3.1779 3.5084 3.1534 2.6101 2.8387 2.5043 2.1186 1.1515 2.3897 2.2077 3.0361 2.2252 1.2388 1.9375 2.7590 1.7656 1.5049 1.2344 1.8010 2.5966 2.8691 4.2933 2.6788 2.4064 2.7731 2.6092 2.8298 2.5234 2.2892 2.7794 2.6275 3.1773 3.0393 1.1322 5.7856 2.3963 1.8372 1.2020 2.9714 1.5198 1.8859 2.6010 1.7683 1.9310 1.2341 1.7775 1.7255 1.4270 1.5967 2.9253 1.2067 2.1464 3.0496 1.8159 2.1917 1.5447 2.2970 1.7547 2.2783 2.1771 2.1124 2.7651 2.6435 1.5430 1.7647 1.7491 1.5776 1.3852 2.3946 1.2251 1.2511 1.0968 1.2946 1.2518 1.1268 1.3004 1.4409 1.3435 1.3443 1.4277 1.4385 1.2068 1.2463 1.2899 1.4427 1.2762 1.2505 1.3668 1.4659 1.1022 1.0778 1.1432 1.0375 1.0782 1.0541 1.0534 1.0432 1.0514 1.0634 1.0588 1.0549 1.0844 1.0486 1.0885 5.9287 6.3198 7.1857 1.0743 1.0763 1.0666 1.0713 1.0619 1.0678 1.0363 1.0387 1.0393 1.0968 1.0942 1.0436 1.0354 1.0993 1.0574 1.0994 1.0994 1.1001 1.1006 1.1018 1.0992 1.0994 1.1068 1.0988 1.1014 1.1071 1.0906 1.0869 1.0892 1.0956 0.0004 0.0007 0.0013 0.0037 0.0055 0.0072 0.0087 0.0113 0.0145 0.0153 0.0182 0.0112 0.0260 0.0264 0.0657 0.0576 0.0392 0.0666 0.0965 0.0648 0.0580 0.0536 0.0850 0.1322 0.1800 0.2936 0.2373 0.2336 0.2832 0.2777 0.3371 0.3239 0.3143 0.4297 0.4849 0.7423 1.0063 0.3771 2.0473 0.8952 0.7410 0.4903 1.2371 0.6472 0.8521 1.2294 0.8478 0.9624 0.6373 0.9353 0.9256 0.7878 0.9069 1.6990 0.7149 1.3378 1.9155 1.1668 1.4357 1.0196 1.5308 1.1938 1.6371 1.6487 1.6213 2.1567 2.1036 1.2487 1.4351 1.4568 1.3607 1.2666 2.2505 1.1829 1.2344 1.0950 1.3022 1.3044 1.1868 1.3849 1.5441 1.4727 1.4739 1.5954 1.6232 1.3728 1.4313 1.4867 1.6773 1.4920 1.4747 1.6250 1.7638 1.4001 1.3732 1.4613 1.3271 1.3839 1.3593 1.3642 1.3541 1.3656 1.3860 1.3864 1.3864 1.4327 1.3897 1.4540 9.2719 10.3935 12.1818 5.6223 5.6456 5.6055 5.6430 5.6137 5.6570 5.5091 5.5419 5.5538 5.8908 5.9204 5.6470 5.6037 5.9975 5.7914 6.0711 6.0765 6.0976 6.1088 6.1260 6.1268 6.1611 6.2085 6.1800 6.2386 6.3059 6.2778 6.3156 6.4504 6.4957 0.1176 0.1508 1.4502 1.2593 0.0393 0.3985 0.0798 1.9048 0.2105 0.6948 1.1915 0.7147 0.8873 2.6244 2.0529 0.9259 0.0703 1.1545 0.0062 0.6168 1.7634 0.0054 5.4460 7.2806 2.7219 15.4991 1.9729 3.7792 5.1169 1.8797 1.0526 1.2547 1.0517 0.7456 4.0245 0.7465 3.5433 6.0167 7.6115 1.6537 18.6830 2.2562 1.6261 3.2831 23.3178 7.6894 21.4940 12.9545 1.6267 6.6399 0.6104 0.0217 4.7973 31.4875 75.1654 62.4106 1.6957 63.8233 128.1629 0.4581 5.2177 5.3505 33.4094 41.2383 12.9069 599.7299 645.7003 7.1517 41.9443 7.8415 5.2399 3.7010 140.0444 1.7778 1.6555 1.8916 0.2026 0.6888 0.4183 8.0727 3.3594 3.8146 6.9862 0.3968 0.4041 30.8567 23.1895 11.5162 3.4498 9.6870 8.0074 41.3917 16.1732 60.4693 5.2800 97.4607 12.6045 4.1573 1.2499 3.3671 16.7292 2.8804 7.0690 7.4965 4.3480 9.9333 24.4483 15.7876 872.2963 383.2186 228.0588 5.6519 13.4057 36.6538 8.1132 41.1229 176.3687 56.8353 59.0095 64.5534 47.0584 15.3235 34.7639 16.4327 45.8988 28.4109 36.3185 99.2374 148.2580 84.7983 90.7937 14.0193 75.2112 0.8897 58.5689 37.3953 68.6931 10.3436 26.4863 7.3813 2.5016 -0.11 -0.07 -0.01 -0.03 0.04 0.00 -0.00 0.04 -0.02 0.03 0.04 0.01 0.06 -0.01 0.01 0.11 -0.00 0.03 0.15 -0.05 0.03 -0.02 0.08 -0.02 -0.03 0.02 -0.04 0.12 -0.09 -0.00 0.19 -0.04 0.06 -0.01 0.10 -0.01 -0.02 0.08 -0.01 -0.02 0.07 -0.01 0.01 0.11 0.00 -0.05 0.02 -0.01 -0.06 0.00 -0.00 -0.13 -0.10 -0.00 -0.19 -0.19 -0.01 -0.00 0.01 -0.02 0.05 0.06 0.03 0.03 0.06 0.01 0.04 -0.03 -0.02 0.07 -0.03 -0.00 0.10 0.02 0.04 0.13 0.02 0.06 0.16 -0.08 0.02 -0.05 0.08 -0.04 -0.02 0.10 -0.02 -0.03 0.05 -0.04 -0.02 -0.01 -0.04 -0.06 0.02 -0.06 0.11 -0.07 0.00 0.09 -0.10 -0.03 0.15 -0.12 -0.01 0.18 -0.02 0.07 0.21 -0.02 0.09 0.22 -0.08 0.06 0.01 0.12 -0.01 -0.04 0.05 -0.01 0.01 0.10 0.01 0.01 0.14 -0.03 0.04 0.12 0.03 -0.08 -0.01 -0.01 -0.14 -0.06 -0.05 -0.09 -0.10 0.05 -0.17 -0.23 0.03 -0.20 -0.21 -0.01 -0.23 -0.19 -0.07 -0.01 0.01 0.02 -0.04 -0.07 0.01 -0.00 0.02 -0.01 0.02 0.01 -0.05 -0.01 0.02 0.02 0.04 0.01 -0.10 -0.02 0.03 -0.00 0.00 0.02 -0.02 0.01 -0.01 0.04 0.06 -0.07 0.23 0.04 0.02 -0.17 -0.00 0.02 -0.02 -0.00 0.02 -0.02 -0.01 -0.00 -0.01 -0.01 -0.03 -0.01 -0.01 0.00 0.00 -0.02 -0.02 0.01 -0.02 -0.01 0.03 -0.01 0.04 0.04 -0.03 0.05 -0.00 -0.01 0.03 -0.13 0.10 -0.02 -0.06 0.02 -0.03 0.14 -0.13 0.10 0.05 0.19 -0.07 -0.12 -0.00 0.06 -0.25 -0.18 0.13 0.03 -0.00 0.02 -0.03 0.01 0.03 -0.02 0.02 -0.06 0.03 0.00 0.00 0.04 0.01 -0.00 0.08 0.21 -0.17 0.21 0.00 -0.06 0.36 0.01 -0.05 0.29 0.21 -0.08 -0.21 -0.02 0.09 -0.34 -0.01 0.04 -0.11 -0.01 -0.00 -0.02 0.00 0.04 -0.01 -0.01 -0.03 -0.00 -0.01 -0.05 -0.00 -0.03 -0.03 -0.03 -0.01 0.03 0.00 -0.04 -0.04 0.07 -0.03 -0.04 -0.01 0.01 0.06 0.01 -0.02 0.02 0.05 -0.01 0.06 0.08 -0.00 -0.04 0.00 0.18 0.24 0.03 -0.00 -0.04 -0.06 -0.01 -0.04 -0.07 -0.04 -0.03 -0.02 -0.05 -0.03 -0.03 -0.11 -0.00 0.06 -0.01 -0.05 -0.04 -0.01 -0.04 -0.06 -0.05 0.01 0.18 -0.12 -0.01 0.02 0.01 -0.03 -0.03 0.01 -0.03 -0.02 0.05 0.03 -0.01 0.09 0.09 -0.00 0.04 0.02 -0.01 0.08 0.09 0.01 0.03 0.01 0.02 -0.08 -0.16 0.00 0.01 -0.03 -0.06 -0.03 -0.05 -0.10 0.03 -0.05 -0.07 -0.01 -0.02 0.02 -0.08 -0.02 -0.02 0.03 -0.03 -0.04 -0.09 -0.04 -0.11 -0.20 0.01 0.07 -0.01 -0.05 -0.02 -0.02 -0.07 -0.04 -0.03 -0.06 -0.07 -0.00 -0.02 -0.09 0.01 -0.04 -0.05 0.04 -0.00 0.18 -0.05 0.02 0.21 -0.10 0.03 0.25 -0.04 -0.02 0.02 -0.17 -0.02 -0.06 -0.17 0.01 0.09 0.03 -0.00 -0.03 -0.01 -0.05 -0.03 0.09 0.08 0.00 0.08 0.15 -0.04 0.14 0.10 0.05 -0.01 -0.04 -0.02 0.09 0.10 -0.12 0.07 0.08 0.17 -0.15 -0.25 0.13 -0.06 -0.13 0.01 -0.13 -0.23 -0.15 -0.00 -0.03 -0.01 -0.09 -0.11 -0.01 0.01 -0.02 -0.05 0.01 -0.02 -0.06 0.02 -0.02 -0.08 0.00 -0.02 -0.04 -0.03 -0.02 0.03 -0.01 -0.01 0.03 -0.03 -0.03 -0.10 -0.00 0.02 0.06 -0.05 -0.01 0.07 0.03 0.05 0.05 -0.00 -0.00 0.04 0.03 0.05 0.05 0.14 0.24 0.07 -0.04 -0.07 0.02 -0.05 -0.07 0.00 -0.01 -0.02 -0.03 0.09 0.08 -0.04 0.07 -0.01 -0.05 0.02 -0.02 -0.04 -0.01 -0.02 -0.06 0.01 -0.01 -0.11 0.05 -0.05 -0.08 0.03 0.01 -0.03 -0.02 -0.05 -0.05 -0.07 -0.05 0.02 -0.03 -0.01 0.08 -0.05 -0.06 0.03 -0.09 -0.04 -0.10 -0.01 -0.03 -0.16 -0.02 -0.03 -0.09 0.03 0.06 0.07 0.00 0.02 0.03 -0.03 0.02 0.11 -0.02 0.02 0.07 -0.08 -0.05 0.04 -0.08 -0.02 0.11 0.09 0.15 0.06 -0.06 -0.11 0.03 0.21 0.36 0.09 0.21 0.23 -0.06 0.07 0.27 0.21 -0.09 -0.18 0.01 -0.03 -0.07 0.03 -0.06 -0.04 -0.12 0.11 0.14 -0.11 0.09 0.09 -0.06 0.14 0.10 0.05 -0.00 0.07 0.01 -0.02 -0.08 -0.02 0.00 -0.04 0.04 0.07 -0.06 -0.08 0.04 -0.04 -0.01 0.02 -0.05 -0.03 -0.02 -0.01 -0.01 0.01 -0.01 -0.02 0.04 -0.14 0.20 -0.00 0.09 -0.05 -0.10 -0.02 0.07 -0.00 0.03 -0.06 0.04 0.09 -0.06 0.04 0.08 -0.05 0.04 0.05 -0.06 0.03 0.09 -0.04 0.00 0.02 -0.02 -0.05 -0.04 0.05 -0.09 -0.00 0.08 -0.09 0.05 0.07 0.04 -0.00 -0.20 0.18 -0.15 -0.10 0.07 -0.04 0.05 -0.03 -0.02 -0.00 0.04 -0.06 -0.04 -0.00 -0.06 -0.06 0.01 -0.06 -0.02 -0.03 -0.01 -0.02 0.05 -0.00 -0.03 0.12 -0.25 0.18 0.02 -0.13 0.25 -0.00 -0.12 0.31 -0.02 0.17 -0.04 0.04 0.08 -0.13 -0.02 0.09 -0.01 -0.15 0.03 0.08 -0.10 -0.09 0.12 -0.11 0.00 0.07 -0.05 -0.01 -0.06 0.07 0.13 -0.06 0.09 0.12 -0.04 0.09 -0.04 -0.06 -0.05 0.05 -0.08 0.03 0.12 -0.03 -0.11 -0.06 0.10 -0.01 -0.11 0.01 -0.03 0.02 0.03 -0.13 -0.08 0.11 -0.14 0.08 0.13 0.10 0.11 0.02 -0.08 -0.06 0.01 -0.00 -0.02 -0.04 -0.01 -0.01 -0.03 0.01 -0.02 -0.06 -0.00 -0.02 -0.04 -0.03 -0.01 -0.00 -0.03 -0.00 0.02 -0.05 -0.01 -0.12 -0.01 0.00 0.03 -0.03 -0.01 0.01 0.00 -0.01 0.06 0.07 0.11 0.09 0.04 0.08 0.09 -0.07 -0.09 0.06 0.11 0.16 0.08 0.03 0.06 0.04 -0.02 -0.06 -0.07 0.01 -0.13 -0.11 0.06 -0.03 -0.05 0.01 -0.02 0.01 -0.05 0.00 -0.02 -0.01 -0.01 -0.09 0.04 -0.04 -0.07 0.01 0.00 -0.03 -0.02 -0.04 -0.04 -0.05 -0.02 -0.00 -0.03 -0.00 0.00 -0.06 0.01 0.03 -0.12 0.00 -0.11 -0.03 -0.01 -0.18 -0.04 -0.01 -0.13 0.02 0.01 0.03 -0.01 0.00 0.03 -0.02 0.00 0.06 -0.01 -0.00 0.01 -0.05 -0.03 -0.01 -0.05 -0.01 0.04 -0.03 -0.11 0.04 0.12 0.21 0.11 -0.05 -0.04 0.06 -0.04 -0.26 0.17 -0.22 -0.12 -0.06 0.19 0.27 0.10 -0.18 -0.03 -0.04 0.04 -0.16 -0.13 0.18 -0.16 -0.14 -0.08 -0.27 -0.18 -0.05 -0.04 -0.05 0.04 0.05 0.00 -0.00 -0.08 -0.02 -0.01 -0.04 0.02 -0.05 -0.02 0.15 -0.05 -0.02 0.15 -0.07 -0.02 0.13 -0.03 0.01 0.00 0.01 -0.03 -0.04 0.01 0.05 -0.06 -0.07 -0.08 -0.03 -0.01 -0.00 -0.14 -0.00 -0.03 -0.05 0.05 0.04 -0.05 0.07 0.07 -0.04 0.11 0.12 -0.03 0.04 0.05 -0.03 0.03 0.00 -0.02 -0.01 -0.04 0.02 -0.03 -0.02 0.04 -0.00 -0.14 0.00 -0.05 -0.07 0.21 -0.09 0.07 0.17 -0.05 -0.01 0.15 -0.05 -0.01 0.15 -0.16 -0.05 0.13 -0.04 -0.01 0.20 0.02 0.11 0.02 -0.00 -0.04 -0.06 0.04 -0.00 -0.04 0.02 0.18 -0.04 0.00 0.03 -0.01 0.02 0.03 -0.18 -0.14 -0.22 -0.05 -0.06 -0.06 0.09 -0.04 -0.03 -0.16 -0.04 -0.11 -0.17 0.02 0.06 -0.14 0.02 0.03 -0.23 -0.03 -0.07 -0.06 0.06 0.07 -0.04 0.19 0.24 -0.00 0.19 0.01 -0.10 -0.02 0.12 0.00 0.02 0.04 -0.04 -0.07 -0.06 0.06 0.03 -0.11 -0.02 0.03 -0.00 0.00 -0.07 -0.09 0.06 -0.08 0.05 0.08 0.08 0.13 0.02 -0.07 -0.12 -0.01 -0.01 0.02 0.00 -0.01 0.02 -0.02 -0.02 0.02 -0.01 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.03 0.00 -0.01 -0.00 0.03 0.00 0.03 -0.00 -0.01 -0.00 -0.03 -0.05 -0.01 -0.02 -0.03 -0.01 0.03 0.03 0.00 -0.03 -0.06 -0.01 -0.01 -0.03 -0.00 0.11 0.18 0.02 -0.07 -0.13 -0.01 -0.02 0.04 0.00 -0.02 0.02 -0.04 0.00 -0.00 -0.03 -0.02 0.02 -0.00 -0.03 0.02 -0.01 0.01 0.03 -0.01 -0.00 0.03 -0.02 -0.00 -0.02 -0.00 0.02 -0.00 0.02 0.00 -0.02 -0.00 0.02 -0.01 0.03 0.00 0.03 0.03 0.02 0.02 0.05 0.01 0.00 0.00 -0.01 -0.02 -0.02 0.01 -0.03 0.01 0.04 0.02 0.03 0.04 0.01 0.03 0.04 -0.02 0.04 0.02 0.03 0.00 -0.05 -0.09 -0.02 0.09 0.14 0.02 0.10 -0.06 -0.06 -0.09 0.03 0.04 -0.05 -0.08 -0.01 0.20 0.35 -0.20 0.19 0.30 0.28 -0.18 -0.30 0.23 -0.03 -0.06 -0.01 -0.15 -0.26 -0.30 -0.03 0.02 -0.02 -0.02 -0.01 -0.03 0.05 -0.06 0.03 0.08 -0.05 0.13 0.16 -0.08 -0.00 0.07 -0.07 0.02 0.01 0.03 0.00 0.01 0.02 0.04 -0.02 -0.04 -0.11 0.05 0.11 0.04 -0.12 0.01 -0.08 0.02 0.07 0.03 -0.01 0.01 0.00 -0.04 -0.01 -0.02 -0.07 -0.03 -0.02 -0.03 -0.01 -0.03 -0.03 -0.00 -0.03 0.01 0.07 0.02 -0.08 0.02 0.04 0.11 -0.16 0.01 0.15 -0.06 0.28 -0.07 0.03 0.16 0.10 -0.05 -0.13 0.30 -0.11 -0.02 0.03 -0.07 0.03 0.05 -0.14 0.04 0.02 0.09 0.01 -0.05 0.02 0.04 0.02 0.03 0.04 -0.07 0.08 -0.09 0.01 -0.13 -0.12 -0.06 -0.06 -0.22 0.05 0.06 0.03 0.12 0.13 0.09 -0.00 0.19 0.03 -0.13 -0.05 -0.10 -0.15 -0.05 -0.12 -0.17 0.11 -0.10 0.03 0.12 0.04 -0.01 -0.04 -0.00 -0.12 -0.10 -0.05 -0.12 0.05 0.01 0.02 -0.03 -0.04 -0.02 0.00 -0.03 0.08 0.10 -0.04 0.02 0.11 0.11 -0.16 -0.01 0.11 -0.04 0.06 0.09 -0.09 -0.03 -0.05 -0.02 -0.04 0.03 -0.04 0.02 0.05 -0.00 -0.02 -0.06 0.08 -0.02 -0.03 -0.02 -0.02 0.20 0.04 -0.04 0.04 0.03 0.02 -0.01 -0.02 0.06 -0.11 -0.02 -0.06 -0.03 0.02 0.07 -0.06 -0.05 0.00 -0.03 -0.00 0.02 -0.05 -0.02 0.03 0.00 -0.01 -0.01 0.04 0.02 -0.02 0.04 -0.04 -0.02 0.06 -0.03 -0.01 0.06 0.01 0.04 -0.03 0.07 -0.03 -0.09 -0.05 -0.04 -0.05 -0.00 -0.00 -0.21 0.29 -0.02 -0.05 0.08 -0.09 0.44 -0.28 0.08 0.24 0.09 -0.16 0.02 0.03 0.02 -0.05 0.08 0.04 -0.00 -0.06 0.05 -0.20 -0.02 0.16 -0.09 -0.02 -0.10 -0.04 -0.01 -0.05 -0.06 -0.02 -0.05 0.01 -0.02 0.09 -0.05 0.06 0.07 -0.09 0.02 0.08 -0.07 -0.15 -0.03 -0.04 -0.02 -0.02 0.03 -0.04 0.06 -0.12 0.03 -0.02 -0.06 -0.05 0.07 0.01 0.02 -0.02 0.06 0.02 -0.01 0.03 0.03 -0.02 0.03 -0.05 -0.02 0.06 0.04 0.08 -0.09 -0.03 0.11 0.00 0.04 -0.07 -0.03 0.10 0.05 -0.16 0.13 -0.11 -0.13 0.03 0.05 -0.04 0.02 -0.02 -0.06 0.02 -0.00 -0.01 -0.00 -0.00 -0.03 -0.08 0.03 0.13 0.03 0.00 -0.06 0.01 -0.01 -0.02 0.01 -0.04 0.09 -0.03 0.01 -0.10 0.02 0.02 -0.03 0.01 -0.00 0.05 0.02 -0.00 0.08 0.01 -0.04 0.04 -0.00 -0.01 -0.01 -0.04 0.02 -0.01 0.03 0.00 -0.05 0.03 0.01 -0.06 0.00 -0.03 0.02 -0.07 0.02 0.08 0.10 0.01 -0.02 -0.07 -0.01 -0.14 0.13 -0.03 -0.04 -0.00 -0.07 0.36 -0.30 0.16 0.17 0.16 -0.12 -0.09 0.00 0.10 -0.21 0.01 -0.05 -0.03 0.03 -0.03 0.17 -0.03 -0.12 0.09 -0.17 -0.05 -0.10 -0.00 0.07 -0.24 0.05 0.01 -0.03 0.05 0.14 -0.01 -0.01 -0.00 -0.14 0.03 -0.04 0.05 -0.03 0.04 0.06 0.04 -0.02 0.10 0.04 -0.03 0.03 0.03 0.07 0.09 0.02 -0.11 0.02 -0.13 -0.11 -0.05 -0.13 0.18 0.02 0.13 0.03 0.02 0.06 -0.00 -0.05 -0.02 -0.06 0.06 0.05 -0.09 0.00 -0.05 0.05 0.03 -0.10 -0.05 0.15 -0.14 0.10 0.10 0.02 0.03 0.01 -0.02 -0.03 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.02 -0.03 0.00 0.04 -0.01 0.00 0.01 0.00 0.01 -0.01 0.01 -0.02 0.02 -0.03 -0.03 0.00 0.00 -0.00 -0.02 0.01 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.02 -0.01 0.01 0.00 -0.05 0.03 -0.02 -0.03 0.01 0.03 -0.05 0.03 -0.05 -0.03 -0.08 0.05 0.05 -0.01 -0.03 0.10 0.00 0.02 0.02 -0.01 0.01 -0.02 -0.00 0.02 -0.01 0.02 -0.05 0.01 0.00 -0.01 0.02 0.00 -0.01 0.04 -0.06 -0.09 -0.01 -0.02 -0.02 0.06 -0.02 -0.00 -0.06 0.01 -0.02 -0.02 0.00 0.02 -0.03 0.01 0.00 -0.03 0.02 0.02 -0.01 -0.00 0.01 0.00 -0.25 -0.42 -0.06 -0.25 0.52 0.05 0.57 0.04 0.05 0.01 0.03 0.01 -0.02 0.01 -0.00 0.01 -0.01 -0.01 0.04 -0.02 -0.01 -0.01 -0.04 -0.03 -0.01 0.00 -0.01 0.06 0.10 0.04 0.00 0.01 0.04 -0.04 -0.00 0.04 -0.06 0.01 0.12 0.01 -0.01 0.01 0.07 -0.03 -0.11 0.02 -0.01 -0.04 -0.02 -0.01 -0.05 -0.00 0.06 0.03 0.07 0.07 0.01 -0.03 -0.01 0.03 -0.05 -0.06 -0.06 -0.07 -0.09 -0.05 -0.03 -0.05 -0.01 0.05 0.03 -0.00 -0.03 -0.02 0.01 0.02 0.04 0.04 -0.04 -0.04 -0.01 0.03 -0.04 -0.04 -0.08 -0.07 0.03 -0.01 -0.00 0.24 -0.17 0.07 0.14 -0.03 -0.09 0.00 0.04 0.07 0.02 0.19 -0.10 -0.13 0.04 0.03 -0.24 -0.02 -0.05 -0.04 -0.00 -0.01 -0.10 0.02 0.04 -0.05 0.10 0.21 0.05 -0.02 -0.02 0.17 -0.06 0.04 -0.12 0.15 0.22 0.03 0.05 0.04 -0.12 0.04 0.01 0.15 -0.03 0.04 0.04 -0.04 -0.06 0.04 -0.05 -0.00 0.06 -0.03 -0.04 -0.06 -0.10 -0.10 -0.05 0.01 -0.07 0.00 0.00 0.19 -0.06 0.22 0.05 0.06 -0.06 -0.04 0.01 -0.18 -0.06 0.06 -0.01 -0.15 -0.12 0.24 -0.02 -0.13 -0.08 -0.20 -0.11 -0.02 0.11 0.09 0.06 0.12 0.02 0.01 0.05 0.01 0.03 0.01 -0.03 0.07 -0.00 -0.08 0.04 0.00 -0.00 -0.02 0.02 0.11 0.01 0.03 0.03 0.01 0.02 0.01 0.01 -0.05 -0.01 -0.01 -0.00 0.00 0.01 0.02 -0.04 0.02 0.05 0.01 -0.09 -0.13 -0.01 -0.05 -0.07 -0.00 -0.02 -0.01 0.00 -0.04 -0.04 -0.00 0.02 0.05 0.01 -0.05 -0.05 -0.01 -0.02 -0.01 -0.01 0.03 0.04 -0.03 0.04 0.02 -0.15 0.15 -0.03 -0.09 0.06 0.06 -0.02 0.03 -0.08 -0.02 -0.12 0.08 0.12 0.01 -0.04 0.21 0.05 0.08 0.04 0.00 0.02 0.05 -0.01 -0.03 0.01 -0.04 -0.14 -0.02 0.01 -0.01 -0.08 0.02 -0.03 0.09 -0.08 -0.13 -0.02 0.03 0.02 0.11 -0.01 0.07 -0.11 0.00 -0.03 -0.05 0.02 0.05 -0.05 0.02 0.05 -0.08 0.12 0.22 0.03 -0.18 -0.29 -0.03 0.08 0.17 0.03 0.08 -0.17 -0.05 -0.21 -0.01 0.04 -0.06 -0.09 -0.01 -0.20 -0.09 0.09 0.01 -0.19 -0.12 0.21 0.03 -0.13 -0.15 -0.22 -0.03 -0.11 0.18 0.15 -0.05 0.00 0.10 0.01 -0.03 0.09 0.07 -0.02 0.04 0.00 -0.03 0.04 -0.03 0.01 0.02 -0.04 -0.00 -0.06 -0.05 -0.03 -0.02 0.05 -0.02 0.12 0.04 0.00 -0.03 -0.06 -0.06 -0.01 -0.00 -0.02 0.03 0.06 0.19 -0.01 -0.01 0.02 -0.11 0.00 0.03 -0.10 0.02 -0.06 -0.11 -0.03 0.05 -0.02 -0.02 0.01 0.07 -0.05 0.03 0.02 0.08 -0.04 -0.08 0.13 -0.02 0.04 -0.01 -0.06 0.05 -0.02 -0.03 0.04 -0.01 -0.00 0.07 -0.06 0.08 0.04 0.02 -0.04 -0.07 -0.06 0.02 -0.11 -0.07 -0.06 -0.03 -0.02 0.00 0.34 0.09 -0.22 0.08 -0.02 0.03 -0.02 0.05 0.00 -0.07 0.06 -0.00 -0.06 -0.04 -0.03 -0.01 -0.10 -0.08 -0.04 -0.04 -0.11 0.01 0.03 0.02 0.04 -0.00 -0.02 0.03 0.01 -0.07 0.07 0.11 0.45 0.03 -0.09 -0.17 -0.14 0.02 -0.09 -0.08 0.01 -0.08 -0.08 0.02 -0.07 -0.18 -0.08 0.11 -0.02 -0.08 0.06 -0.01 -0.10 0.07 0.01 0.12 -0.08 -0.03 0.08 0.02 -0.22 0.16 -0.11 -0.06 0.01 0.01 -0.05 -0.04 0.04 -0.03 0.05 -0.01 -0.03 0.03 -0.01 -0.00 -0.01 -0.01 0.01 -0.03 -0.03 -0.06 -0.05 -0.05 -0.02 0.04 0.06 -0.06 0.14 0.06 0.02 -0.06 -0.08 -0.02 -0.04 -0.05 0.02 0.09 0.09 0.01 0.00 -0.00 0.06 -0.01 -0.01 0.06 -0.03 -0.01 0.07 -0.01 -0.03 0.04 -0.01 0.01 -0.02 0.00 -0.00 -0.02 -0.06 0.03 0.02 0.01 -0.03 -0.03 0.01 -0.03 -0.01 0.04 -0.01 -0.00 0.01 -0.02 0.06 -0.05 0.04 0.03 0.03 -0.08 -0.07 -0.05 -0.02 -0.11 -0.07 -0.08 -0.03 -0.02 0.06 -0.12 0.03 0.13 -0.05 0.44 0.38 0.05 0.09 -0.14 0.37 -0.03 0.02 -0.31 -0.06 -0.09 -0.02 -0.08 -0.09 -0.01 -0.05 -0.10 -0.03 -0.03 -0.02 0.03 -0.05 -0.07 0.02 -0.05 -0.07 0.05 0.18 0.15 0.01 -0.07 -0.06 0.05 -0.03 0.01 0.05 -0.03 -0.04 0.08 -0.06 -0.02 0.06 0.02 -0.05 0.04 0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.06 0.06 -0.01 -0.07 -0.02 0.10 -0.12 0.09 0.03 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.02 -0.03 0.01 0.02 -0.02 0.04 0.01 0.02 0.02 -0.01 0.02 -0.04 -0.02 0.02 -0.02 0.01 0.01 -0.02 -0.01 -0.04 -0.01 -0.03 0.00 -0.04 0.04 0.03 0.05 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.06 0.01 0.02 -0.04 0.06 -0.00 -0.01 0.05 0.02 0.01 0.05 0.01 0.07 0.03 0.01 -0.01 -0.05 -0.02 0.02 -0.07 -0.03 -0.02 -0.03 -0.01 0.00 -0.08 0.02 0.07 -0.01 -0.07 -0.09 -0.02 0.00 -0.02 -0.08 0.02 -0.04 0.04 -0.14 -0.24 -0.07 0.08 0.06 0.18 -0.05 0.17 -0.24 0.52 0.16 0.07 -0.16 -0.01 -0.32 -0.15 -0.04 0.48 -0.02 -0.07 -0.02 0.03 0.06 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.02 -0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 -0.02 -0.03 -0.04 0.00 -0.03 0.04 0.02 0.04 0.00 -0.02 0.05 0.01 -0.02 0.00 -0.01 0.03 0.01 -0.01 0.08 0.01 0.02 -0.00 -0.04 0.02 -0.04 -0.05 0.01 -0.02 -0.01 0.11 -0.05 -0.06 -0.08 0.01 -0.05 -0.05 0.01 0.02 0.02 0.01 0.02 0.09 -0.00 0.02 0.08 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.01 -0.04 -0.10 -0.02 0.02 -0.04 -0.02 0.05 -0.01 0.01 0.02 -0.02 0.02 -0.02 -0.06 0.02 0.03 -0.04 0.15 -0.08 0.03 0.09 -0.01 0.03 -0.05 0.08 0.05 -0.01 -0.03 0.00 -0.04 -0.05 0.01 -0.05 -0.07 -0.01 -0.02 -0.09 0.09 -0.18 0.01 0.25 -0.02 -0.23 -0.28 -0.01 -0.03 0.01 -0.19 -0.00 -0.05 0.21 0.06 0.20 0.05 -0.22 -0.12 -0.21 -0.01 -0.26 0.21 -0.12 0.02 0.01 0.11 0.07 0.14 0.12 -0.03 -0.12 0.03 0.04 -0.01 0.03 0.11 0.02 0.00 -0.01 0.01 0.01 -0.04 0.01 -0.02 -0.02 -0.01 -0.04 -0.13 -0.02 0.05 -0.01 0.01 0.07 -0.02 0.01 0.19 -0.01 -0.04 -0.09 -0.20 0.02 -0.09 0.14 0.10 0.06 -0.04 -0.01 0.10 -0.07 -0.02 -0.10 0.08 0.00 -0.05 0.06 -0.03 -0.02 -0.03 0.01 0.04 -0.04 0.01 0.02 -0.04 0.01 -0.08 0.10 0.01 -0.13 0.03 0.04 0.02 -0.00 -0.01 -0.07 -0.05 0.00 -0.01 0.13 0.04 -0.05 0.01 -0.00 -0.00 0.02 -0.01 -0.03 0.01 -0.01 0.04 0.01 -0.05 0.07 -0.03 -0.04 0.08 -0.06 0.04 0.09 -0.06 0.04 -0.12 0.10 0.01 -0.03 0.12 -0.05 -0.01 0.06 -0.03 -0.03 -0.07 0.03 -0.06 -0.04 0.01 0.06 -0.04 0.00 0.03 -0.02 -0.02 0.04 -0.03 0.01 -0.10 0.10 0.01 -0.11 0.10 0.01 0.00 0.16 0.05 -0.12 -0.13 0.17 -0.29 0.02 -0.09 -0.10 -0.28 -0.06 0.17 0.07 0.23 -0.01 0.21 -0.24 0.03 -0.04 0.00 -0.15 -0.14 -0.10 -0.17 0.01 0.10 0.07 0.26 0.05 -0.10 -0.11 -0.02 -0.03 0.02 -0.02 -0.03 -0.02 0.00 -0.06 0.00 -0.03 0.06 0.00 -0.05 0.09 -0.06 0.04 0.09 -0.06 0.04 0.06 -0.06 0.06 0.11 -0.02 0.03 0.12 -0.09 0.03 -0.01 0.02 0.02 0.01 0.03 0.01 0.01 0.06 0.01 -0.00 0.04 -0.02 0.01 -0.02 -0.01 0.03 -0.05 -0.01 0.01 -0.05 0.00 0.03 0.00 0.03 0.04 0.11 0.00 0.01 -0.04 -0.00 -0.09 -0.07 0.00 -0.01 -0.03 0.01 0.06 0.07 0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.06 -0.08 -0.02 -0.03 -0.02 0.01 -0.01 0.04 0.00 -0.00 -0.00 -0.01 0.04 0.08 0.01 0.00 0.06 -0.03 0.01 0.03 -0.02 0.01 -0.04 0.01 -0.01 -0.03 -0.01 0.07 -0.05 -0.02 0.02 -0.03 -0.05 0.02 -0.06 0.00 0.07 0.01 0.04 0.03 -0.01 0.02 -0.13 -0.10 -0.01 0.03 0.33 -0.19 0.25 0.13 0.20 -0.08 -0.28 -0.04 0.13 0.02 0.22 -0.01 0.14 -0.19 -0.21 -0.09 0.00 -0.08 -0.14 0.08 -0.10 -0.00 -0.07 -0.10 -0.16 -0.01 0.14 0.19 0.02 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.09 -0.10 -0.02 -0.02 0.05 -0.01 -0.01 0.04 0.01 0.23 -0.01 -0.08 -0.14 -0.21 -0.06 -0.11 0.17 0.08 0.01 -0.01 -0.03 -0.04 -0.00 -0.02 0.00 0.02 0.01 -0.01 0.02 0.05 0.01 -0.01 0.00 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 0.01 0.04 -0.05 0.02 0.03 0.02 -0.01 -0.03 -0.00 -0.04 -0.03 0.01 0.02 0.03 -0.03 -0.05 -0.08 -0.01 0.01 -0.01 0.03 0.03 -0.02 0.03 0.05 0.08 0.04 0.01 0.03 0.00 -0.01 -0.03 -0.02 -0.03 0.02 0.01 -0.02 -0.00 0.01 0.01 0.00 0.11 -0.07 0.06 0.06 -0.01 -0.01 -0.03 0.05 0.01 -0.00 0.03 -0.03 -0.03 -0.00 -0.01 -0.05 -0.01 -0.03 -0.01 0.00 0.03 -0.10 0.03 0.09 -0.04 -0.23 -0.31 -0.01 0.02 0.32 -0.27 0.27 0.07 0.36 -0.02 -0.09 -0.01 0.01 -0.02 0.05 -0.01 0.01 -0.04 -0.07 -0.02 0.01 -0.04 -0.06 0.03 -0.04 -0.01 -0.01 0.12 0.14 -0.02 -0.14 -0.17 -0.02 0.04 -0.01 0.04 0.04 -0.01 0.01 0.04 -0.01 0.03 0.08 0.09 0.04 -0.01 -0.05 0.00 -0.00 -0.05 -0.04 -0.30 0.04 0.08 0.13 0.26 0.09 0.08 -0.17 -0.10 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 0.02 -0.01 0.02 0.01 0.03 -0.01 0.01 0.04 -0.06 -0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.02 -0.06 -0.01 -0.01 -0.02 0.02 0.02 0.04 0.05 -0.01 -0.02 -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 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.02 -0.03 0.04 -0.01 -0.02 0.02 0.02 0.02 0.01 0.01 0.08 -0.00 0.09 0.00 -0.07 -0.02 0.05 -0.14 -0.04 0.01 -0.01 -0.01 -0.01 -0.03 0.01 0.02 0.00 0.02 0.02 -0.00 -0.01 -0.15 0.04 -0.11 -0.06 -0.09 -0.12 -0.39 -0.04 0.10 0.06 0.36 -0.04 0.20 -0.25 -0.35 0.05 0.07 0.21 0.09 0.40 0.22 -0.00 -0.25 -0.02 -0.04 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.06 0.00 0.02 0.03 0.06 0.00 0.03 -0.05 -0.03 0.03 0.09 0.05 0.06 -0.01 0.01 0.03 0.01 0.00 0.04 -0.00 -0.01 0.03 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.04 -0.01 0.03 0.02 -0.01 -0.03 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 -0.05 0.03 0.02 0.02 0.03 -0.04 -0.01 -0.03 -0.10 0.07 -0.02 -0.05 -0.06 -0.06 0.01 0.00 -0.00 -0.06 -0.06 0.03 0.04 -0.03 -0.01 0.03 0.00 0.00 0.03 0.01 -0.03 0.07 -0.02 -0.01 0.04 0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.00 0.02 0.02 -0.10 0.01 0.12 0.01 0.02 0.03 -0.01 0.03 0.03 -0.01 0.04 0.01 -0.02 -0.00 0.05 0.01 -0.08 -0.05 -0.08 -0.00 -0.10 0.05 0.02 -0.00 0.00 -0.02 -0.01 -0.03 -0.02 -0.01 0.03 -0.08 -0.18 0.01 0.11 0.12 0.05 -0.10 0.12 -0.07 -0.10 0.06 -0.01 -0.14 0.08 0.04 -0.07 -0.08 -0.06 -0.19 -0.09 0.11 -0.04 -0.17 -0.08 -0.32 -0.04 0.13 0.28 0.39 -0.05 0.31 -0.38 -0.14 0.08 0.08 -0.04 -0.03 0.07 -0.00 -0.03 0.02 0.02 -0.04 0.02 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.01 0.01 -0.01 -0.02 0.06 -0.07 -0.01 0.00 0.02 0.02 0.00 -0.01 -0.01 -0.01 0.00 0.06 -0.01 0.05 0.10 -0.04 0.03 -0.03 0.02 0.17 -0.13 0.00 -0.06 -0.12 0.05 -0.02 -0.01 0.01 -0.02 -0.06 -0.06 -0.07 0.04 -0.00 -0.00 0.05 0.02 -0.04 0.03 -0.04 -0.02 -0.01 -0.02 -0.03 -0.02 0.00 -0.05 -0.02 -0.01 -0.01 0.01 0.02 0.02 0.01 0.04 0.03 0.00 0.01 -0.01 -0.00 0.20 0.01 -0.15 0.04 -0.04 0.07 0.01 -0.05 -0.12 0.04 -0.17 -0.02 -0.08 0.02 0.02 0.00 0.05 0.02 0.00 0.01 0.04 -0.00 0.02 -0.03 -0.02 -0.03 -0.03 -0.04 -0.04 0.01 0.01 -0.05 0.03 -0.02 0.07 0.16 -0.03 0.18 -0.21 0.11 0.19 -0.13 -0.03 0.23 -0.15 -0.09 -0.08 -0.17 0.04 -0.12 -0.10 0.02 0.03 -0.17 -0.15 -0.41 0.09 0.05 0.11 0.30 0.14 0.03 -0.15 -0.13 -0.06 -0.01 0.01 0.05 -0.06 0.01 0.01 0.09 0.07 0.12 0.06 -0.02 0.11 0.01 0.02 0.02 -0.01 -0.02 -0.04 0.00 0.00 0.02 0.09 0.05 -0.10 0.03 -0.02 -0.09 -0.10 -0.02 -0.05 -0.01 0.01 -0.05 -0.10 0.06 -0.02 -0.08 0.01 -0.00 -0.04 -0.01 0.13 -0.05 -0.02 0.05 0.06 -0.00 0.01 0.02 -0.01 -0.05 0.05 -0.03 -0.06 0.04 -0.05 0.04 0.11 0.06 0.12 0.15 -0.13 0.23 -0.01 -0.03 0.12 0.01 0.04 0.09 0.04 0.03 0.05 -0.04 -0.03 -0.02 -0.06 -0.06 -0.05 -0.01 0.00 0.09 0.08 -0.08 0.02 0.20 0.07 -0.12 0.16 0.00 -0.05 -0.15 -0.01 -0.25 0.01 -0.14 -0.07 0.00 -0.01 -0.24 -0.15 -0.13 0.00 -0.27 0.03 -0.01 0.01 0.01 -0.08 -0.04 -0.03 -0.09 0.01 0.06 -0.12 -0.20 0.04 0.07 -0.03 0.02 0.19 -0.05 0.09 0.18 -0.03 -0.13 0.17 -0.04 -0.01 0.08 0.08 -0.00 -0.03 0.07 -0.06 -0.08 0.09 -0.01 -0.01 0.04 -0.06 -0.09 -0.01 -0.05 -0.09 0.09 -0.03 -0.10 0.07 0.06 0.23 -0.14 0.02 -0.02 -0.04 -0.06 -0.11 -0.02 0.02 -0.10 -0.00 -0.02 -0.02 0.01 0.02 0.03 -0.02 -0.00 -0.02 0.02 -0.07 0.04 -0.05 0.03 0.07 0.07 0.01 0.02 -0.02 -0.01 0.10 0.03 0.09 0.05 -0.02 0.12 0.01 0.01 0.04 0.05 -0.05 0.04 0.02 -0.03 -0.06 0.02 -0.01 -0.05 -0.17 0.10 -0.05 -0.11 0.08 -0.13 -0.06 -0.06 -0.06 -0.10 -0.10 0.12 -0.20 0.05 0.03 -0.11 -0.01 -0.04 -0.08 -0.02 -0.02 -0.05 0.03 0.02 0.02 0.05 0.06 0.04 -0.01 -0.00 -0.08 0.00 -0.20 -0.10 0.15 -0.03 0.10 -0.14 0.01 0.01 0.01 0.06 0.06 -0.03 0.11 0.06 0.01 0.01 0.18 0.10 0.07 -0.00 0.18 -0.01 0.01 -0.03 -0.01 0.03 -0.01 -0.00 0.03 -0.01 -0.03 0.24 0.09 0.09 0.03 -0.12 0.10 0.08 -0.09 0.12 0.08 -0.08 0.03 0.08 -0.07 -0.04 0.08 -0.08 -0.06 -0.21 0.13 -0.07 -0.20 0.12 -0.08 -0.10 0.07 -0.11 -0.12 0.10 -0.17 -0.09 0.06 -0.12 0.01 0.00 -0.01 0.08 -0.05 0.00 -0.08 -0.04 0.01 0.06 -0.06 -0.02 0.09 -0.11 0.01 0.01 -0.09 -0.02 -0.08 0.03 0.03 -0.09 -0.05 0.01 0.03 0.14 0.01 -0.10 0.06 0.00 0.12 0.07 0.01 -0.07 0.05 -0.02 -0.06 0.05 -0.01 -0.02 0.03 0.05 0.01 -0.02 0.05 -0.01 -0.01 -0.00 0.02 -0.02 -0.02 0.01 -0.00 -0.02 -0.02 0.01 -0.01 -0.10 -0.04 0.01 0.08 0.06 -0.11 0.15 -0.10 -0.04 0.10 -0.09 0.01 0.08 -0.11 0.01 0.09 -0.16 -0.04 -0.06 -0.16 -0.13 -0.10 0.04 0.03 -0.10 -0.04 0.12 -0.08 -0.15 -0.01 -0.01 0.14 0.01 -0.04 0.36 -0.00 0.28 0.12 0.00 -0.17 0.07 0.00 -0.05 0.07 -0.02 -0.10 0.09 -0.05 0.13 0.06 0.00 0.22 0.28 0.06 0.27 -0.11 -0.05 -0.05 0.10 -0.02 -0.11 0.04 -0.01 0.02 -0.06 0.09 0.02 -0.04 0.05 0.03 -0.03 -0.01 0.02 -0.05 0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.03 -0.04 0.02 -0.02 -0.01 0.01 0.03 -0.03 0.02 -0.02 -0.04 0.02 -0.01 -0.07 0.05 -0.06 0.02 -0.03 0.07 0.01 -0.06 -0.02 -0.05 -0.02 -0.02 -0.09 -0.03 -0.00 -0.05 -0.07 -0.03 -0.00 0.10 0.02 0.01 0.04 -0.01 0.03 0.10 0.03 0.08 -0.07 -0.02 -0.00 -0.01 0.09 0.01 -0.03 0.03 -0.02 -0.02 -0.04 0.09 -0.04 -0.05 -0.00 0.03 -0.02 -0.02 0.03 -0.04 -0.01 0.00 0.08 0.07 -0.05 0.04 0.03 -0.03 0.07 -0.03 -0.03 -0.13 0.07 -0.18 -0.04 -0.01 0.03 -0.01 -0.05 -0.01 -0.02 -0.18 0.00 0.01 -0.05 -0.04 0.09 -0.06 -0.09 -0.03 -0.07 0.07 -0.26 0.00 0.37 0.06 -0.06 0.12 0.01 0.01 0.08 -0.04 0.07 0.03 -0.08 0.06 0.09 0.02 0.25 0.15 0.05 -0.12 0.28 0.06 0.07 -0.08 -0.02 0.14 0.07 0.02 0.17 -0.16 -0.07 -0.02 -0.08 0.08 0.09 -0.02 0.03 0.14 -0.05 0.05 0.13 -0.03 -0.14 0.13 -0.04 -0.06 0.02 0.05 -0.02 0.01 -0.00 0.07 -0.01 -0.00 0.08 0.15 -0.09 0.06 0.05 -0.02 -0.10 0.14 -0.09 0.06 -0.07 0.05 -0.01 -0.07 0.06 -0.09 -0.04 0.02 -0.11 -0.04 0.06 0.01 0.04 -0.04 0.01 0.10 -0.03 -0.00 0.01 0.06 0.08 -0.03 -0.05 -0.03 0.01 -0.03 0.02 -0.08 -0.03 -0.02 -0.00 0.06 0.00 0.05 -0.02 0.06 0.05 -0.02 0.06 0.02 0.03 0.00 0.07 -0.05 -0.01 -0.01 -0.01 -0.03 -0.04 0.02 -0.08 -0.06 0.02 0.12 0.09 -0.06 0.04 -0.06 0.03 -0.10 0.02 0.02 0.16 -0.13 0.21 0.04 -0.01 -0.10 -0.00 0.03 -0.07 0.01 0.28 -0.08 -0.02 0.02 -0.02 -0.19 0.01 0.09 0.08 0.03 -0.04 0.04 -0.14 -0.13 -0.03 0.13 -0.15 -0.00 -0.02 -0.02 0.10 -0.03 -0.01 0.13 -0.20 -0.01 -0.02 -0.20 -0.06 -0.09 0.04 -0.14 -0.11 0.02 0.01 -0.02 -0.02 0.08 -0.04 -0.01 0.09 -0.01 0.15 0.03 0.07 0.05 -0.10 0.05 0.07 -0.11 0.05 0.08 -0.07 -0.01 0.10 -0.07 -0.10 0.02 -0.05 -0.04 -0.05 0.02 0.12 -0.05 0.00 0.11 0.22 -0.14 0.09 0.06 -0.01 -0.21 0.22 -0.15 0.09 0.04 -0.03 0.03 -0.05 0.02 0.07 0.00 0.07 -0.02 -0.04 0.06 -0.00 -0.01 -0.05 -0.01 0.03 -0.06 -0.01 -0.06 -0.05 0.11 0.05 0.03 -0.01 -0.05 -0.02 0.02 -0.10 0.09 -0.01 0.09 -0.05 -0.04 0.08 -0.03 0.04 0.09 -0.05 -0.00 0.05 -0.02 -0.07 -0.05 0.04 -0.08 0.01 -0.01 0.01 0.00 -0.01 0.09 0.02 -0.01 -0.06 -0.06 0.04 -0.02 0.00 0.10 -0.02 -0.01 0.04 0.09 -0.11 0.12 0.01 -0.03 -0.09 -0.02 -0.02 -0.07 -0.01 0.22 -0.09 -0.02 -0.05 -0.06 -0.19 -0.07 -0.04 0.11 0.10 0.03 -0.07 0.01 0.09 0.00 -0.03 -0.07 0.01 -0.01 -0.14 0.01 -0.19 -0.01 0.06 -0.30 0.16 0.01 0.06 0.11 -0.11 -0.11 0.19 -0.11 0.14 -0.22 -0.08 0.14 0.18 -0.09 0.19 -0.11 -0.14 0.10 -0.02 0.04 0.13 -0.08 -0.01 -0.09 0.08 -0.18 -0.09 0.05 -0.01 -0.10 0.06 -0.01 -0.06 0.04 0.01 0.01 -0.00 -0.06 0.01 0.01 -0.06 -0.13 0.08 -0.05 -0.04 0.01 0.12 -0.13 0.09 -0.05 0.05 -0.02 0.03 -0.06 0.03 0.06 -0.09 -0.05 -0.03 -0.01 -0.04 -0.01 0.02 -0.06 0.02 0.00 -0.03 0.01 0.02 0.08 -0.11 -0.09 0.00 -0.03 -0.00 0.06 0.02 0.05 -0.06 0.01 -0.03 0.12 0.04 0.05 -0.01 0.15 0.08 -0.04 0.04 0.05 0.03 -0.09 0.01 0.00 -0.13 -0.02 -0.01 -0.02 -0.01 -0.02 0.08 0.04 -0.02 -0.05 -0.03 0.02 -0.01 -0.13 -0.07 -0.03 -0.00 0.01 -0.07 0.06 -0.05 -0.02 0.01 -0.06 0.00 0.02 -0.08 0.01 -0.15 -0.06 0.01 0.03 -0.06 0.12 0.03 0.10 -0.10 -0.11 -0.02 -0.22 -0.21 0.19 0.02 0.03 0.05 0.02 -0.06 0.19 0.07 0.13 0.05 0.02 0.21 -0.15 -0.01 -0.13 -0.08 0.12 0.08 -0.16 0.08 -0.06 0.32 0.09 -0.03 -0.01 0.12 -0.05 0.07 0.14 0.15 0.07 0.15 0.14 -0.19 0.01 -0.02 -0.03 -0.14 -0.02 -0.01 -0.07 0.00 -0.00 -0.18 -0.11 0.01 -0.03 0.02 -0.02 -0.05 0.03 -0.01 -0.05 -0.10 0.06 -0.03 -0.02 -0.00 0.12 -0.10 0.06 -0.03 0.04 -0.03 -0.01 0.01 -0.02 0.03 0.04 -0.09 -0.01 -0.04 -0.06 -0.01 -0.06 0.04 -0.05 0.09 0.06 0.00 0.06 0.02 0.14 -0.07 0.06 0.05 0.12 -0.03 -0.03 -0.03 -0.01 -0.02 -0.03 -0.00 -0.02 -0.09 0.03 0.09 -0.06 0.03 0.01 -0.08 -0.02 -0.03 0.05 -0.01 -0.05 -0.03 0.05 -0.01 0.01 0.01 0.03 0.06 -0.03 -0.04 -0.01 0.00 0.01 0.08 -0.10 -0.02 -0.06 -0.13 0.02 -0.11 -0.09 -0.01 -0.06 0.02 -0.04 -0.06 0.03 -0.05 0.32 0.10 0.00 0.03 0.13 -0.17 0.08 0.04 0.14 -0.18 0.04 -0.12 -0.10 0.23 0.08 0.16 -0.02 -0.03 0.07 0.08 0.03 0.24 -0.04 -0.03 -0.23 0.04 -0.01 -0.08 -0.04 -0.13 0.09 -0.09 -0.16 -0.01 -0.18 -0.07 -0.08 -0.02 -0.12 -0.10 0.15 -0.08 -0.19 -0.07 0.07 0.04 0.10 0.02 0.11 -0.00 0.06 0.10 0.01 -0.19 0.09 -0.00 -0.02 -0.02 0.10 -0.01 0.06 -0.03 -0.04 0.06 -0.02 -0.03 -0.05 0.03 -0.01 0.01 -0.02 0.10 -0.06 0.04 -0.01 -0.02 0.02 0.01 -0.01 0.01 -0.02 -0.03 -0.07 0.17 -0.03 -0.09 -0.03 -0.04 0.00 -0.06 0.07 0.04 0.01 0.06 0.04 0.09 0.04 -0.02 -0.05 -0.09 0.07 0.01 -0.01 -0.02 -0.01 -0.02 0.03 -0.01 0.08 0.00 -0.06 0.04 -0.02 -0.01 0.07 0.03 0.02 -0.03 0.01 0.03 0.02 -0.04 0.01 -0.00 -0.01 -0.01 -0.04 0.02 0.02 -0.00 0.00 -0.01 -0.07 -0.08 0.17 -0.08 0.01 -0.25 0.10 -0.36 -0.08 -0.05 -0.01 -0.06 -0.04 -0.01 -0.07 0.20 0.09 0.01 0.04 0.07 -0.09 0.07 0.06 0.09 -0.03 -0.04 -0.21 0.18 0.16 -0.04 -0.30 0.25 0.05 -0.05 0.08 -0.13 0.00 0.03 -0.17 -0.14 -0.00 -0.01 -0.09 -0.04 -0.07 0.09 -0.10 -0.11 -0.02 -0.07 -0.03 -0.06 -0.00 -0.07 -0.08 0.14 -0.04 0.17 0.11 -0.04 -0.05 -0.11 -0.03 -0.09 -0.01 -0.06 -0.08 -0.01 0.15 -0.07 -0.00 -0.01 0.00 -0.09 0.00 -0.04 0.02 0.02 -0.04 0.02 0.02 0.03 -0.02 0.01 -0.01 0.01 -0.06 0.03 -0.02 0.00 0.01 0.00 0.00 -0.01 0.01 0.01 -0.06 -0.04 -0.03 0.12 0.01 0.05 0.08 0.16 0.02 -0.05 0.12 -0.04 -0.01 -0.08 0.05 -0.10 -0.08 -0.04 -0.02 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.14 -0.02 -0.02 -0.04 0.04 -0.00 -0.03 0.03 0.08 0.15 0.00 0.01 -0.01 -0.04 -0.03 -0.03 -0.02 -0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.12 -0.10 -0.04 0.12 0.05 0.00 0.17 0.02 0.05 0.14 0.25 0.03 0.15 0.26 0.03 -0.00 0.17 -0.03 -0.03 0.14 -0.02 -0.04 -0.14 0.03 -0.03 -0.07 -0.03 -0.17 -0.09 -0.03 0.03 0.02 0.01 -0.06 0.11 0.06 0.07 0.01 -0.00 -0.07 0.08 0.01 0.13 0.03 -0.07 -0.06 0.09 -0.00 -0.01 -0.27 -0.06 -0.03 -0.11 -0.08 -0.03 -0.05 -0.09 0.12 0.12 0.06 -0.07 -0.22 -0.00 -0.06 -0.16 -0.03 -0.05 -0.10 0.17 0.00 -0.07 -0.29 -0.14 -0.17 -0.04 0.00 -0.01 -0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.03 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.02 0.01 0.09 0.05 0.03 -0.05 0.02 -0.03 -0.05 -0.06 -0.01 0.02 -0.06 0.02 -0.00 0.02 -0.02 0.06 0.07 0.04 0.06 -0.04 -0.02 -0.00 0.00 0.00 0.00 0.04 0.00 -0.09 -0.07 -0.01 -0.10 -0.06 -0.01 0.09 0.25 0.04 0.01 -0.01 0.00 -0.06 -0.02 -0.01 -0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.01 -0.01 0.01 0.17 0.10 0.02 -0.06 -0.04 0.03 -0.10 0.03 -0.02 -0.07 -0.12 -0.01 -0.09 -0.11 -0.02 -0.00 -0.08 0.01 0.01 -0.07 0.01 0.01 0.04 -0.01 0.10 0.05 -0.13 0.12 0.21 0.06 0.03 -0.05 -0.02 0.10 -0.14 -0.06 -0.05 -0.03 -0.00 0.02 -0.02 -0.00 -0.03 -0.00 0.03 0.01 -0.01 0.01 0.01 0.09 0.02 0.02 0.05 0.03 0.02 -0.00 0.03 -0.09 -0.00 0.00 -0.16 -0.15 -0.03 -0.09 -0.25 0.04 -0.07 -0.16 0.31 -0.00 -0.10 -0.41 -0.23 -0.31 -0.05 0.02 -0.02 -0.01 0.03 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.01 0.03 -0.00 0.00 0.00 -0.01 0.00 0.03 -0.04 0.02 -0.05 -0.02 -0.02 -0.05 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.10 0.09 0.09 0.05 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.10 0.03 0.04 0.02 -0.03 -0.19 0.21 -0.08 0.00 -0.01 0.00 0.05 0.14 -0.10 0.08 0.07 -0.03 -0.01 -0.09 0.05 0.05 -0.03 0.02 -0.03 0.05 -0.02 -0.05 0.02 -0.03 0.05 -0.04 0.05 0.01 0.02 0.01 0.02 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.15 0.07 -0.05 -0.19 0.21 0.13 0.16 -0.05 -0.03 -0.01 0.07 0.09 0.12 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.35 0.07 0.05 0.06 0.01 -0.18 -0.17 0.10 -0.32 -0.16 0.04 0.33 -0.17 0.03 0.20 0.09 -0.18 0.07 -0.09 0.06 0.03 -0.09 0.05 0.04 0.03 -0.01 -0.01 -0.04 0.04 -0.14 0.02 -0.02 -0.00 -0.04 -0.07 0.01 -0.07 -0.09 -0.02 -0.02 -0.01 -0.02 0.01 -0.03 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.01 0.03 -0.01 -0.03 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.04 0.04 -0.01 -0.01 -0.02 0.02 -0.02 -0.03 -0.00 0.00 0.01 -0.00 -0.01 -0.04 -0.03 0.20 0.32 0.04 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.04 -0.03 -0.02 0.02 -0.04 0.04 -0.04 -0.01 0.01 0.03 0.01 0.03 -0.03 0.02 0.00 -0.01 0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.02 0.04 0.16 0.01 -0.13 -0.03 -0.00 0.01 0.01 -0.04 0.05 0.03 0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.03 -0.18 -0.04 0.14 0.23 0.06 -0.03 -0.07 0.01 -0.01 -0.05 0.07 -0.01 -0.02 -0.12 -0.38 -0.65 -0.11 0.07 0.03 -0.09 -0.03 0.07 0.10 -0.01 0.05 -0.06 0.01 0.01 0.01 0.02 0.02 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.02 0.04 -0.03 0.01 0.06 -0.03 -0.00 0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -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 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.17 0.05 -0.29 0.33 -0.06 -0.01 -0.22 0.18 -0.43 0.45 -0.24 -0.04 0.22 -0.24 -0.03 -0.09 0.17 -0.26 0.03 0.02 -0.01 0.00 0.00 0.02 -0.02 -0.02 -0.00 0.04 -0.05 -0.02 0.03 -0.04 -0.01 -0.02 -0.01 0.02 0.06 -0.00 -0.01 0.04 0.00 0.00 -0.01 0.02 0.02 0.00 0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.02 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 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.07 -0.06 0.32 -0.15 0.13 -0.11 0.02 0.01 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.03 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.04 0.02 -0.06 -0.09 0.02 0.11 -0.03 0.04 0.02 0.01 -0.01 0.04 0.17 -0.05 -0.31 0.14 -0.16 -0.00 -0.01 0.01 0.01 -0.03 0.03 -0.08 -0.01 0.00 0.02 0.00 -0.02 0.01 -0.01 -0.03 0.00 -0.01 -0.01 0.01 -0.03 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.06 0.21 0.07 -0.17 -0.07 -0.02 0.01 0.00 0.03 -0.02 -0.04 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.09 -0.08 -0.14 0.08 0.12 0.08 -0.10 0.26 0.10 -0.06 -0.09 0.11 -0.04 -0.12 0.23 0.00 -0.30 -0.15 0.07 -0.01 -0.13 0.08 -0.05 -0.18 0.10 -0.11 -0.01 -0.02 0.16 -0.18 0.13 -0.13 -0.01 -0.02 0.02 -0.02 -0.01 -0.01 0.01 -0.01 0.08 -0.07 0.13 0.01 0.03 0.04 0.01 0.14 0.00 0.00 0.00 0.01 -0.08 -0.05 -0.10 -0.01 0.09 -0.05 -0.03 -0.12 0.05 0.04 0.01 -0.08 -0.02 -0.03 -0.01 0.01 0.02 0.06 -0.01 -0.02 -0.02 -0.00 -0.00 -0.01 0.02 -0.01 -0.03 -0.02 0.05 0.06 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.08 -0.14 0.24 -0.23 0.17 -0.02 -0.03 -0.08 -0.17 -0.01 0.04 0.10 0.02 -0.14 0.12 0.04 0.24 -0.07 0.28 -0.02 0.03 -0.08 -0.13 -0.13 -0.29 -0.02 0.18 0.03 -0.03 -0.02 -0.02 0.15 -0.14 -0.15 0.04 -0.06 -0.09 -0.04 -0.01 0.03 -0.20 0.04 0.12 -0.13 0.02 0.08 0.01 0.07 0.03 0.04 -0.12 0.07 0.05 -0.20 0.06 0.06 0.22 0.04 -0.08 -0.12 -0.04 0.01 0.01 0.02 0.01 0.02 -0.03 0.01 0.00 0.06 0.01 0.01 -0.02 0.01 0.02 -0.04 -0.01 0.02 0.03 -0.01 0.03 -0.03 0.01 0.01 0.02 0.00 0.01 0.02 -0.02 0.01 0.03 -0.01 -0.01 -0.00 0.02 0.01 0.01 0.02 0.03 -0.04 0.02 -0.01 0.00 -0.08 -0.01 0.01 -0.02 -0.02 0.04 -0.01 -0.08 0.02 -0.00 0.00 0.01 0.07 -0.03 -0.03 -0.01 0.05 0.01 -0.03 -0.04 0.02 0.06 0.06 -0.07 -0.03 -0.00 -0.03 -0.00 -0.03 0.11 -0.04 -0.02 -0.07 0.01 0.07 0.00 0.01 -0.05 -0.03 0.01 -0.03 0.00 0.07 0.11 0.02 0.10 0.01 0.14 -0.13 0.13 -0.01 0.08 0.10 0.03 -0.05 -0.06 -0.00 0.09 -0.11 -0.01 -0.15 0.01 -0.17 -0.00 -0.02 0.04 0.01 -0.11 -0.33 -0.01 0.25 0.08 -0.03 0.02 0.01 0.02 -0.03 -0.02 -0.03 0.00 -0.02 0.05 0.01 -0.02 0.15 -0.03 -0.07 0.05 0.00 -0.03 0.00 -0.03 -0.01 -0.02 0.10 -0.04 -0.01 0.08 -0.03 0.04 0.31 0.07 -0.08 -0.24 -0.11 0.02 0.00 0.13 0.01 0.01 0.05 0.01 -0.01 0.17 0.05 0.19 -0.05 0.05 0.12 -0.22 0.06 0.07 0.19 -0.06 0.15 -0.18 0.08 0.04 0.12 0.07 0.04 0.17 0.03 0.02 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.02 -0.01 0.03 0.01 0.00 0.01 -0.00 0.01 -0.05 0.01 -0.01 0.03 -0.01 -0.04 -0.00 -0.05 -0.05 0.01 -0.03 -0.03 -0.01 -0.02 -0.03 -0.00 -0.02 -0.00 -0.03 0.03 -0.04 0.00 -0.02 -0.03 -0.01 0.01 0.02 -0.00 -0.03 0.03 0.00 0.03 -0.01 0.04 -0.00 0.00 -0.01 0.01 0.04 0.10 0.01 -0.08 -0.03 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.03 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.08 -0.02 -0.01 0.05 0.04 -0.00 0.01 -0.06 -0.00 0.00 -0.04 0.00 0.01 -0.06 0.04 0.01 0.04 0.08 0.26 -0.39 0.14 0.12 0.46 -0.02 0.26 -0.36 0.08 0.17 -0.04 0.24 0.01 0.40 -0.05 0.05 0.03 0.01 0.01 0.02 -0.04 -0.04 -0.07 -0.01 -0.06 0.00 -0.01 0.01 0.01 0.08 0.04 0.02 0.03 0.03 -0.06 0.06 0.05 0.04 -0.07 0.03 0.01 -0.09 0.04 0.03 0.02 -0.08 -0.02 0.07 0.02 0.02 0.04 -0.09 -0.11 -0.01 0.03 -0.06 0.01 -0.02 0.19 -0.02 0.08 -0.11 -0.10 -0.02 -0.01 0.06 -0.05 -0.06 0.04 -0.04 0.02 0.01 -0.10 -0.08 -0.04 -0.11 -0.02 0.02 -0.04 0.00 -0.03 0.02 -0.05 0.07 -0.02 -0.00 0.04 0.04 0.02 0.12 0.10 0.06 0.06 0.07 -0.05 0.04 0.05 0.07 -0.00 0.01 0.04 0.12 -0.03 -0.01 -0.17 0.16 0.19 0.03 0.03 0.08 0.01 -0.02 0.02 -0.18 0.04 0.12 -0.10 0.01 0.08 -0.01 0.07 0.03 0.03 -0.17 0.06 0.01 -0.14 0.07 -0.15 -0.19 -0.00 0.29 0.12 -0.09 -0.01 -0.05 0.20 -0.01 -0.04 0.26 -0.02 -0.03 0.16 -0.17 -0.06 -0.14 0.02 0.05 -0.14 0.05 0.02 0.03 -0.08 0.09 -0.09 0.09 -0.04 0.24 -0.01 0.06 0.07 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.02 -0.03 0.01 0.03 -0.02 -0.09 0.00 0.03 0.01 0.02 0.03 0.11 -0.00 0.02 -0.07 0.00 -0.02 0.00 -0.03 0.00 0.03 -0.06 0.02 -0.01 0.01 -0.07 -0.02 -0.01 0.00 -0.01 -0.02 0.01 0.03 -0.00 -0.00 0.02 -0.00 0.01 -0.05 0.01 -0.02 0.02 0.02 -0.00 0.00 -0.02 0.01 0.01 -0.01 0.01 -0.01 0.01 0.12 0.03 0.14 -0.14 0.27 -0.32 0.14 -0.03 0.10 0.22 0.01 -0.09 -0.21 -0.03 0.35 -0.17 0.05 -0.06 0.21 -0.24 0.16 0.14 -0.04 -0.04 -0.02 -0.06 0.05 0.05 0.01 -0.10 0.12 0.05 -0.04 0.07 -0.01 0.06 -0.02 -0.09 0.17 -0.03 -0.02 -0.07 0.04 0.12 -0.16 0.04 0.16 -0.00 0.15 0.04 0.03 -0.15 0.08 0.02 -0.19 0.10 0.02 0.02 -0.01 -0.07 -0.00 0.03 0.00 0.01 -0.03 0.01 0.01 -0.06 0.01 0.01 -0.05 0.04 0.00 0.03 -0.00 -0.00 0.02 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.02 0.02 -0.06 0.01 -0.01 -0.00 0.00 -0.03 -0.00 -0.01 -0.02 -0.01 0.01 0.03 -0.07 0.02 -0.10 0.04 -0.03 -0.02 -0.00 0.03 0.02 -0.02 0.03 0.02 -0.02 0.05 0.06 0.02 -0.06 0.05 -0.00 -0.04 0.03 0.02 0.02 -0.03 -0.00 -0.05 -0.07 -0.01 0.02 0.05 0.01 0.01 0.03 0.01 -0.00 0.00 -0.02 -0.06 -0.12 -0.01 0.06 0.08 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.10 -0.09 -0.09 -0.05 -0.16 -0.04 0.08 -0.13 0.03 -0.06 -0.03 -0.04 0.06 0.02 -0.00 -0.06 0.06 -0.01 0.08 0.04 0.08 0.02 0.02 -0.02 0.22 0.07 0.06 0.02 -0.02 0.01 0.16 -0.11 -0.04 -0.12 0.06 0.17 -0.10 0.09 0.18 -0.05 -0.01 0.01 -0.13 0.02 0.05 0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.00 -0.10 0.02 -0.01 -0.01 0.01 0.07 0.16 0.02 -0.19 -0.26 -0.03 0.01 0.02 -0.00 0.01 0.01 -0.05 0.01 0.01 -0.00 0.35 0.55 0.09 0.01 -0.02 0.03 -0.02 -0.00 -0.01 0.01 -0.02 0.02 -0.02 0.00 -0.04 -0.00 -0.01 -0.02 -0.13 0.06 0.13 0.03 -0.01 -0.09 0.00 0.01 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.03 0.03 -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 -0.01 -0.02 0.02 0.05 -0.01 0.04 0.02 0.01 -0.09 -0.04 -0.05 0.12 -0.04 0.06 -0.08 0.09 -0.04 -0.09 0.11 -0.06 0.02 -0.08 0.02 0.03 0.02 0.01 0.02 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.03 -0.01 -0.01 0.03 -0.01 0.01 -0.01 0.00 -0.02 0.01 0.01 0.00 -0.02 0.04 0.13 -0.04 -0.11 -0.04 -0.07 0.05 0.02 0.06 -0.03 -0.08 0.04 -0.03 -0.07 0.02 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 0.02 0.00 0.00 0.01 0.00 0.00 -0.02 0.01 0.01 -0.09 -0.02 -0.01 0.01 0.03 -0.05 0.06 -0.26 -0.04 0.03 0.02 -0.05 0.02 -0.01 0.20 0.15 0.15 -0.09 0.05 -0.13 -0.08 0.07 -0.14 -0.22 0.10 -0.06 0.18 -0.18 0.61 -0.19 0.16 -0.06 0.00 -0.01 -0.05 -0.01 -0.01 0.05 -0.02 -0.01 0.05 -0.01 0.05 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.02 -0.01 0.00 -0.05 0.04 -0.03 0.06 -0.05 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.04 0.04 0.00 -0.01 -0.09 -0.01 0.04 0.05 -0.03 0.01 0.00 0.06 -0.06 -0.09 -0.08 0.02 0.05 0.03 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.19 0.03 0.07 0.03 0.09 0.02 -0.05 0.03 -0.01 0.02 0.00 0.02 -0.06 -0.01 -0.01 0.05 -0.02 0.01 -0.03 -0.02 -0.03 0.01 0.00 0.01 -0.11 0.07 0.23 -0.06 -0.18 -0.07 -0.14 0.12 0.04 0.10 -0.02 -0.16 0.14 -0.09 -0.18 0.04 0.01 -0.01 0.06 -0.00 -0.02 -0.02 0.02 0.02 0.01 0.03 0.00 0.01 0.06 0.00 0.02 -0.03 0.00 -0.08 -0.31 -0.05 0.16 0.09 0.01 -0.01 -0.03 0.04 -0.01 -0.03 0.15 -0.02 -0.01 0.01 0.29 0.59 0.01 0.03 -0.02 0.02 0.02 -0.02 0.01 0.05 -0.03 0.03 -0.03 0.03 -0.11 0.04 -0.04 0.01 0.01 -0.02 0.03 0.00 -0.00 -0.03 -0.05 -0.09 -0.03 -0.05 0.07 -0.03 0.05 0.02 0.03 0.01 0.00 -0.01 -0.02 -0.02 0.01 0.09 -0.08 0.08 -0.07 -0.01 -0.02 0.02 -0.02 -0.00 -0.01 0.02 0.01 0.06 0.07 -0.02 -0.05 -0.06 -0.00 -0.01 0.04 0.04 -0.01 0.03 -0.04 -0.03 -0.04 0.04 0.02 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.20 -0.03 -0.05 -0.03 0.11 -0.05 0.03 0.14 -0.03 0.03 0.01 -0.00 0.08 0.03 0.03 -0.05 -0.00 -0.01 0.01 -0.04 0.03 -0.07 -0.05 0.00 -0.14 -0.13 -0.31 0.24 0.32 0.12 0.21 -0.05 -0.04 -0.23 0.21 0.26 0.13 -0.01 0.06 -0.02 0.02 0.00 0.08 -0.01 -0.05 0.00 0.01 -0.02 0.01 -0.03 -0.01 -0.01 0.08 -0.02 0.01 0.01 -0.02 -0.19 -0.18 -0.05 0.03 0.25 0.04 0.01 -0.04 0.05 0.03 -0.03 -0.07 0.03 0.00 -0.17 0.17 0.21 0.08 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.03 -0.01 0.02 -0.00 -0.06 -0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.07 0.05 0.01 0.04 -0.07 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.00 0.03 -0.00 -0.01 0.03 -0.01 0.02 0.02 0.02 0.05 0.02 0.04 -0.22 0.24 0.07 0.02 0.01 0.02 0.00 -0.02 -0.00 0.02 -0.00 -0.00 -0.03 0.03 0.03 0.02 -0.00 0.00 -0.35 0.24 0.10 0.39 -0.04 -0.31 -0.08 0.16 -0.11 -0.12 0.47 0.05 0.04 -0.24 0.18 -0.06 -0.06 0.17 0.02 0.02 0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.07 -0.03 0.02 -0.02 0.03 0.02 0.01 0.05 -0.04 0.07 -0.01 0.06 -0.08 -0.05 0.01 0.03 0.09 0.03 -0.01 -0.06 -0.05 0.02 -0.04 -0.06 -0.07 0.04 0.00 -0.02 -0.07 -0.03 0.04 0.04 0.02 -0.00 -0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.17 -0.01 -0.02 0.12 -0.08 0.01 -0.11 -0.01 0.03 -0.02 0.07 -0.10 0.10 -0.02 0.18 0.11 0.08 0.02 -0.05 -0.01 0.10 -0.06 -0.00 0.14 0.11 0.17 0.09 -0.07 -0.01 0.21 -0.03 -0.05 -0.16 0.19 0.17 0.25 -0.07 -0.03 0.27 -0.04 -0.06 0.14 0.00 0.04 -0.14 0.05 0.15 0.12 0.03 -0.01 0.03 0.40 -0.03 0.12 -0.23 -0.02 0.14 0.10 -0.01 -0.11 -0.19 -0.01 0.01 0.01 0.01 0.00 0.01 -0.03 0.01 0.00 0.03 -0.05 -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.08 -0.04 0.02 -0.01 0.06 -0.04 0.01 -0.03 0.04 -0.06 -0.00 -0.05 0.05 0.05 -0.00 0.04 0.08 0.04 0.00 -0.11 -0.01 -0.01 0.04 0.04 0.06 -0.03 0.01 -0.01 -0.05 -0.03 0.03 0.03 0.02 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.13 0.11 0.04 0.03 0.05 0.05 -0.03 0.20 -0.01 -0.02 0.03 -0.06 0.07 -0.10 0.02 -0.18 -0.13 -0.07 -0.03 0.02 0.00 -0.09 -0.01 -0.01 0.11 0.09 0.12 0.12 -0.02 0.01 0.01 0.19 0.03 -0.13 0.26 0.04 0.44 -0.19 -0.28 -0.19 0.00 0.04 -0.14 -0.00 -0.02 0.14 -0.06 -0.12 -0.08 -0.10 -0.00 -0.03 -0.26 -0.01 -0.09 0.20 -0.02 0.11 0.07 -0.02 -0.11 -0.17 -0.01 0.01 0.01 0.01 0.01 0.01 -0.04 0.01 0.00 0.01 -0.03 -0.07 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -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 0.01 0.02 -0.03 -0.00 -0.01 0.02 -0.00 0.06 -0.07 -0.02 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.11 -0.04 -0.01 0.07 0.09 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.00 0.01 0.06 -0.02 0.01 -0.04 -0.00 0.03 -0.05 0.04 -0.03 -0.02 0.00 0.05 0.02 -0.00 -0.03 0.01 -0.04 0.20 -0.21 -0.05 0.00 0.00 0.00 0.01 0.00 0.00 0.04 -0.04 -0.02 0.01 -0.02 0.01 -0.01 0.01 0.03 0.19 0.09 0.01 0.23 0.04 0.07 -0.45 0.22 0.29 -0.13 -0.12 -0.03 -0.09 -0.22 -0.09 -0.17 0.52 -0.09 0.01 -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 0.01 -0.01 0.02 0.00 -0.00 -0.02 0.05 -0.02 -0.05 0.03 -0.03 -0.04 -0.04 0.04 0.06 0.11 -0.00 -0.03 -0.01 -0.08 -0.02 0.01 0.00 -0.02 -0.03 -0.01 0.07 -0.02 -0.02 0.01 -0.04 0.07 0.02 -0.02 -0.00 0.03 0.00 0.01 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.11 0.20 -0.00 -0.07 -0.32 0.08 0.00 0.24 0.00 -0.15 0.06 -0.17 0.22 -0.05 0.02 -0.16 -0.01 -0.01 0.26 0.10 0.22 -0.13 -0.27 -0.06 0.05 0.00 -0.01 -0.06 -0.03 -0.01 -0.26 0.25 0.12 -0.00 0.08 -0.11 0.09 -0.06 -0.19 -0.05 0.03 0.02 0.07 -0.01 -0.03 -0.07 0.05 0.01 0.06 -0.09 -0.03 -0.02 0.31 -0.09 0.05 0.03 -0.09 -0.03 0.04 0.03 0.01 -0.02 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.02 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.03 -0.00 0.00 -0.01 -0.08 0.06 -0.12 -0.03 0.00 0.13 0.06 -0.02 0.00 -0.00 0.00 -0.03 -0.00 0.02 0.03 0.03 -0.01 -0.01 0.00 -0.02 -0.01 -0.05 -0.03 0.03 -0.04 0.04 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.01 -0.00 0.04 -0.07 -0.04 0.05 0.11 0.07 -0.06 0.02 0.04 -0.01 -0.03 0.12 -0.05 -0.15 -0.02 0.00 0.07 -0.03 0.03 -0.09 0.07 -0.05 0.09 0.26 0.06 -0.01 -0.02 -0.10 0.04 -0.03 0.09 -0.02 -0.03 0.06 -0.06 0.09 -0.05 0.01 -0.09 -0.07 -0.02 0.08 0.04 0.07 -0.07 -0.10 -0.03 -0.26 -0.04 -0.03 0.12 0.09 0.02 0.06 -0.04 -0.01 -0.06 0.02 0.10 -0.07 0.06 0.10 -0.06 0.01 0.01 -0.00 -0.00 -0.02 0.01 -0.00 -0.03 0.01 -0.06 -0.01 -0.01 0.07 -0.04 0.01 0.04 -0.04 -0.11 -0.27 -0.11 -0.35 -0.21 0.09 -0.04 0.04 -0.24 -0.05 0.02 0.11 -0.07 0.00 0.06 0.13 -0.10 -0.15 -0.07 0.06 -0.11 -0.08 0.05 -0.11 0.01 -0.04 0.09 0.09 -0.08 0.22 0.03 -0.01 0.10 -0.02 0.01 -0.03 -0.01 0.00 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -0.05 -0.01 -0.05 -0.05 0.01 0.03 0.01 0.01 0.00 -0.02 -0.01 0.02 -0.03 -0.03 -0.00 0.00 0.02 -0.01 0.01 -0.02 0.02 -0.01 0.02 0.02 0.01 0.00 0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.06 -0.00 -0.05 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.02 0.02 0.02 0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.32 0.57 0.07 0.31 0.63 0.11 0.02 0.05 -0.05 -0.00 0.04 -0.05 0.00 0.01 0.08 0.07 0.02 -0.03 -0.02 0.02 -0.03 -0.03 0.02 -0.03 0.00 -0.01 0.02 0.02 -0.02 0.06 0.01 -0.00 0.03 -0.05 0.02 0.05 0.00 -0.00 -0.01 0.05 -0.03 0.03 0.05 0.05 0.00 -0.05 0.05 -0.03 -0.00 -0.08 0.00 0.03 -0.02 -0.01 -0.03 -0.01 -0.01 -0.04 0.01 -0.01 -0.01 0.02 0.02 0.01 0.02 0.00 -0.00 -0.00 -0.02 -0.04 0.01 0.06 0.03 -0.01 -0.03 0.08 -0.05 -0.00 -0.04 0.02 -0.02 -0.02 0.02 -0.02 0.14 -0.09 0.06 -0.08 0.06 -0.08 0.20 -0.10 0.00 0.05 0.03 0.03 0.00 0.03 0.00 -0.04 0.09 -0.04 -0.07 -0.01 -0.04 -0.04 -0.15 -0.01 0.02 -0.03 0.01 0.04 -0.05 -0.01 -0.12 -0.01 0.03 0.08 -0.03 -0.03 0.12 -0.04 -0.02 -0.12 0.09 0.14 0.03 0.02 0.08 -0.05 -0.02 0.01 -0.09 0.01 0.03 0.04 -0.03 -0.02 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.07 -0.02 0.13 -0.01 -0.02 0.01 0.05 0.07 -0.07 0.11 -0.39 -0.11 0.09 0.24 -0.15 0.00 0.26 -0.07 0.05 -0.03 0.19 -0.15 0.13 0.21 -0.11 0.13 0.06 0.02 -0.09 -0.11 0.11 -0.34 0.02 -0.05 -0.10 -0.04 0.02 0.02 -0.00 0.00 0.01 -0.07 0.02 -0.02 -0.16 -0.10 -0.06 0.17 -0.10 0.11 0.01 0.19 -0.01 -0.08 0.05 -0.01 0.07 0.02 0.01 0.05 0.00 -0.00 0.04 -0.05 -0.03 -0.01 -0.05 0.01 -0.03 0.01 0.01 -0.04 0.03 0.05 0.02 -0.01 -0.01 0.06 -0.04 -0.01 -0.00 0.01 -0.03 -0.02 0.01 -0.00 0.08 -0.05 0.03 -0.05 0.03 -0.04 -0.13 0.18 0.01 -0.14 -0.07 -0.05 -0.14 -0.09 -0.06 0.15 -0.11 0.09 0.19 -0.08 0.11 0.02 0.20 -0.01 -0.02 0.11 -0.01 -0.22 0.02 -0.01 0.09 0.02 -0.01 0.13 0.03 0.00 -0.07 -0.03 -0.00 0.14 -0.14 -0.13 -0.10 0.01 -0.02 0.04 0.06 -0.01 0.22 -0.02 -0.10 -0.06 0.07 -0.00 0.01 -0.09 -0.00 -0.00 0.01 -0.01 0.02 -0.09 -0.00 -0.01 0.03 0.01 -0.07 0.02 0.05 -0.06 0.08 -0.33 -0.09 0.07 0.19 -0.12 0.00 0.18 -0.01 0.01 -0.04 0.11 -0.09 0.07 0.12 -0.06 0.07 0.04 0.01 -0.05 -0.06 0.06 -0.19 0.02 -0.03 -0.05 0.04 -0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.02 -0.06 0.03 0.03 0.05 -0.04 -0.01 -0.05 -0.03 -0.03 -0.00 0.01 0.01 0.04 0.12 -0.05 -0.04 -0.02 -0.03 0.04 -0.00 0.00 -0.03 0.01 -0.01 -0.02 -0.05 0.05 0.08 -0.07 0.04 0.03 -0.01 -0.01 -0.02 0.08 -0.03 -0.01 -0.01 0.01 -0.03 0.00 -0.00 -0.00 -0.05 0.03 -0.01 0.02 -0.01 0.02 -0.19 -0.01 -0.04 -0.04 -0.01 -0.06 0.21 0.12 0.05 -0.08 -0.15 0.00 -0.02 0.19 -0.01 0.09 0.18 0.03 -0.11 -0.17 -0.05 0.18 0.15 0.06 0.28 -0.05 -0.13 0.05 -0.01 -0.02 -0.15 0.16 0.07 -0.03 0.08 -0.06 0.11 -0.07 -0.15 0.13 -0.02 -0.03 0.00 0.02 0.06 -0.06 0.01 0.08 -0.02 0.11 0.01 0.02 -0.09 0.05 -0.01 -0.04 0.06 -0.21 0.01 0.09 -0.08 0.01 0.02 -0.07 0.06 -0.36 -0.10 0.05 0.26 -0.16 -0.00 0.15 -0.01 0.03 -0.03 -0.05 0.04 -0.03 -0.05 0.03 -0.03 -0.01 -0.01 0.03 0.03 -0.02 0.08 -0.00 0.01 0.03 0.13 -0.08 0.02 0.02 -0.00 -0.04 0.00 -0.01 0.05 -0.05 -0.00 -0.05 0.06 0.06 0.03 0.02 -0.02 0.02 -0.00 -0.01 -0.03 -0.01 0.02 -0.03 -0.00 0.02 -0.04 0.00 0.00 0.02 0.00 0.01 0.02 -0.00 -0.01 0.01 -0.02 0.01 0.03 -0.02 0.02 -0.06 0.07 -0.04 0.03 -0.09 0.05 0.02 0.00 0.00 -0.03 -0.13 0.08 -0.01 0.04 -0.03 0.03 0.10 -0.12 0.02 0.01 0.05 0.01 -0.22 -0.17 -0.06 0.12 0.20 0.02 -0.01 -0.11 0.00 -0.09 -0.26 -0.03 0.06 0.07 0.02 -0.14 -0.13 -0.06 -0.04 0.03 0.09 0.10 -0.09 -0.07 0.13 -0.13 -0.06 -0.02 -0.03 0.08 -0.07 0.05 0.12 -0.12 0.01 0.02 -0.02 -0.01 -0.05 0.07 -0.02 -0.07 0.00 -0.11 -0.01 -0.02 0.04 -0.05 -0.00 0.08 -0.05 0.14 -0.05 -0.00 0.09 -0.05 0.01 -0.06 0.07 -0.29 -0.10 0.07 0.26 -0.15 -0.00 0.23 -0.18 0.11 0.02 -0.12 0.10 -0.06 -0.14 0.07 -0.06 -0.07 -0.00 0.04 0.06 -0.06 0.20 -0.03 0.05 0.05 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 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 -0.01 -0.02 -0.00 0.07 0.13 0.01 -0.07 -0.14 -0.02 -0.02 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.02 0.02 0.00 -0.01 -0.02 0.00 0.01 0.02 0.00 0.01 0.03 0.00 -0.01 -0.02 -0.01 0.01 0.02 0.01 -0.02 0.00 0.01 0.01 0.00 -0.00 -0.02 0.02 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.08 -0.15 -0.02 -0.03 -0.07 -0.01 0.17 0.30 0.02 0.00 0.26 -0.54 0.14 0.02 0.61 -0.10 -0.13 -0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.00 0.01 0.03 -0.02 -0.04 -0.14 -0.05 -0.04 0.12 0.19 0.02 -0.01 -0.16 0.01 0.00 0.03 0.03 0.01 0.03 -0.01 -0.01 0.01 0.03 -0.00 0.00 -0.02 0.04 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.03 0.05 -0.02 -0.29 -0.24 -0.12 -0.13 -0.12 -0.06 0.12 0.17 0.04 0.21 0.44 0.06 -0.02 -0.20 0.01 -0.15 -0.44 -0.03 0.13 0.11 0.05 0.00 0.04 0.05 -0.05 -0.04 -0.01 -0.13 0.08 0.05 0.02 -0.01 -0.06 -0.04 -0.00 -0.05 0.09 -0.02 -0.02 -0.01 0.01 0.04 -0.02 -0.02 0.04 -0.05 -0.01 0.01 -0.01 -0.15 0.01 -0.04 0.11 0.01 -0.01 0.04 0.02 -0.01 -0.01 -0.02 0.02 -0.02 0.09 0.03 -0.02 -0.07 0.04 0.00 -0.06 0.04 -0.02 0.00 0.02 -0.01 0.01 0.02 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.03 0.01 -0.01 -0.01 0.04 -0.02 0.01 0.01 -0.00 -0.02 0.11 -0.03 -0.01 -0.01 0.03 -0.01 0.00 -0.06 0.02 -0.01 0.05 -0.03 -0.04 0.05 0.04 -0.10 0.03 0.03 -0.05 0.01 0.04 0.02 -0.03 -0.04 0.02 -0.04 -0.01 0.03 -0.05 -0.07 0.03 -0.01 0.02 -0.01 -0.00 -0.03 0.01 0.00 0.02 -0.04 0.02 0.02 -0.00 0.00 -0.02 -0.03 0.02 0.01 0.01 -0.00 0.00 0.31 0.16 -0.00 -0.14 -0.18 -0.04 0.17 0.23 0.01 -0.13 -0.28 -0.03 0.11 0.10 0.04 0.04 0.27 0.02 -0.11 -0.19 -0.02 0.04 0.17 0.06 -0.37 0.03 0.11 -0.01 -0.01 0.01 -0.04 0.11 0.05 -0.10 0.12 0.07 0.08 -0.01 -0.02 0.17 0.01 -0.04 0.12 0.00 0.02 -0.10 0.05 0.08 -0.03 0.02 0.01 0.01 -0.12 0.04 -0.02 -0.03 0.04 0.27 -0.01 -0.08 0.07 -0.02 0.02 -0.02 -0.01 -0.02 -0.01 -0.01 0.07 -0.02 -0.00 0.01 -0.09 0.07 0.02 -0.02 0.02 -0.00 -0.03 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.04 -0.02 0.02 0.00 0.03 -0.02 0.01 0.01 -0.00 -0.01 -0.13 0.13 0.01 0.02 -0.12 0.02 -0.02 0.02 0.01 -0.03 -0.05 -0.03 0.07 -0.07 0.04 -0.05 -0.02 0.10 0.07 -0.04 -0.06 -0.03 0.03 0.01 -0.04 0.03 -0.04 0.07 -0.00 -0.10 0.01 -0.02 0.04 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.03 0.02 -0.01 -0.03 0.02 -0.02 -0.02 0.01 0.01 0.00 -0.00 -0.00 -0.06 0.53 0.06 0.05 -0.11 0.07 0.05 0.08 0.05 0.01 0.12 -0.02 0.20 0.28 0.04 0.04 0.14 0.01 0.03 0.02 0.03 0.29 -0.00 0.04 -0.05 -0.04 -0.11 0.05 0.24 0.13 0.12 -0.07 -0.07 0.07 -0.05 -0.05 0.05 -0.03 -0.05 0.00 -0.04 0.00 -0.13 0.02 0.09 0.01 -0.05 0.04 0.04 0.23 0.01 0.04 0.11 0.06 0.03 -0.13 0.05 0.11 -0.08 -0.11 -0.04 0.05 0.05 -0.02 0.03 -0.12 -0.03 0.02 0.07 -0.05 0.00 0.07 -0.04 0.03 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.10 -0.01 -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 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.02 -0.02 0.02 -0.03 -0.01 0.22 0.08 -0.03 -0.18 -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 -0.00 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 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.02 0.01 0.01 0.01 -0.01 0.03 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.06 0.04 -0.01 -0.03 0.00 0.21 -0.04 -0.01 0.22 -0.42 0.20 -0.27 0.14 -0.13 0.42 -0.35 0.32 -0.26 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.02 0.16 0.08 0.04 -0.06 0.02 -0.04 0.03 -0.00 0.06 -0.01 0.01 -0.07 0.10 -0.01 -0.06 -0.07 -0.07 -0.04 -0.08 -0.07 0.02 -0.05 -0.03 0.03 -0.04 0.04 0.02 0.06 0.04 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.09 0.31 0.09 -0.03 -0.19 0.04 -0.08 -0.19 0.02 -0.09 -0.03 -0.05 -0.01 -0.05 -0.02 -0.06 -0.07 0.01 0.02 -0.14 0.04 -0.23 0.14 0.00 0.32 -0.06 -0.12 -0.05 -0.00 -0.05 0.29 0.01 -0.08 -0.19 0.20 0.17 0.32 -0.09 -0.03 0.10 0.05 -0.02 0.18 -0.01 -0.06 -0.09 0.08 0.02 -0.03 -0.22 -0.00 -0.04 -0.11 -0.05 -0.02 0.10 -0.04 -0.08 -0.08 0.02 0.03 0.04 -0.01 0.00 -0.01 0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.03 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.08 0.05 -0.03 -0.01 0.01 -0.05 0.06 0.03 0.06 -0.06 0.00 -0.03 0.07 -0.05 0.04 -0.07 0.04 -0.04 0.08 -0.11 0.03 0.00 -0.02 -0.11 -0.04 -0.03 -0.03 -0.02 0.05 0.03 -0.04 0.04 -0.06 -0.05 0.03 0.10 -0.03 0.02 -0.01 0.02 -0.01 -0.06 -0.02 0.01 0.03 -0.02 0.01 0.05 0.16 -0.10 0.07 0.03 -0.01 -0.03 -0.00 -0.00 0.02 0.22 0.13 0.05 -0.06 -0.01 -0.02 -0.04 0.00 -0.03 0.08 -0.02 0.04 0.12 0.06 0.06 0.05 0.16 -0.02 -0.04 0.11 -0.03 0.28 -0.13 0.02 0.02 -0.00 0.05 0.22 -0.16 -0.17 0.14 0.01 -0.03 -0.14 0.13 0.13 0.15 -0.03 0.02 -0.07 -0.06 0.01 -0.17 0.02 0.07 0.07 -0.07 0.00 0.04 0.28 0.01 0.05 0.12 0.07 0.02 -0.14 0.06 0.04 -0.05 0.08 0.10 -0.04 -0.03 0.02 -0.03 0.14 0.02 -0.02 -0.01 0.03 -0.00 -0.02 -0.32 0.19 0.04 -0.11 0.05 -0.05 -0.09 0.07 -0.05 0.05 -0.02 0.02 -0.01 0.01 -0.02 0.03 -0.04 0.02 -0.08 0.05 -0.04 -0.00 0.01 -0.06 -0.09 -0.05 -0.04 0.06 -0.01 0.00 -0.06 0.04 -0.02 0.05 -0.04 0.01 -0.04 0.07 -0.01 0.03 0.02 0.09 0.05 0.04 0.01 0.01 -0.03 -0.02 0.02 -0.02 0.03 0.03 -0.03 -0.05 -0.01 0.01 0.05 0.02 -0.00 -0.05 0.01 -0.01 0.02 -0.06 0.03 0.04 0.19 -0.13 0.09 0.02 -0.01 -0.02 0.00 -0.00 0.02 -0.20 -0.05 -0.03 0.10 0.03 0.05 0.05 0.13 0.03 -0.08 0.05 -0.06 -0.02 0.01 -0.03 -0.05 -0.07 0.01 0.04 -0.08 0.04 -0.14 0.13 0.01 -0.11 -0.00 -0.01 0.02 0.13 0.11 -0.10 -0.08 -0.00 0.15 -0.16 -0.11 -0.19 0.06 0.02 0.07 0.04 -0.01 0.12 -0.01 -0.03 -0.07 0.05 0.02 -0.02 -0.16 -0.00 -0.03 -0.07 -0.04 -0.01 0.06 -0.03 0.09 -0.01 -0.05 -0.15 0.06 0.06 0.00 -0.00 0.01 -0.02 0.01 0.05 -0.02 -0.00 0.05 -0.53 0.32 0.02 -0.14 0.07 -0.05 -0.11 0.09 -0.05 0.03 -0.01 0.02 -0.00 0.00 -0.00 0.03 -0.03 0.02 -0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.09 0.15 0.02 -0.06 -0.10 -0.01 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 -0.01 -0.00 -0.42 0.05 0.32 0.27 -0.29 -0.35 -0.04 0.19 -0.36 0.13 0.21 0.03 0.15 -0.00 0.38 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.08 -0.06 0.08 0.05 -0.01 -0.08 -0.06 0.02 0.05 0.02 -0.03 -0.06 -0.00 0.04 0.06 0.04 0.01 -0.06 0.03 0.05 -0.05 -0.01 -0.02 -0.04 0.00 -0.02 -0.01 -0.07 0.01 0.07 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 0.02 -0.02 0.01 -0.03 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.06 0.09 0.12 -0.06 0.14 -0.04 0.32 -0.01 -0.13 0.06 -0.13 0.18 0.04 0.03 -0.13 0.09 -0.03 0.05 -0.12 0.09 0.03 0.16 0.09 -0.15 0.02 0.10 0.48 -0.12 -0.15 0.12 -0.21 -0.09 0.06 -0.15 0.04 -0.16 0.09 0.15 0.16 0.01 -0.04 0.09 0.01 0.05 -0.11 0.03 0.09 -0.00 0.02 0.01 0.02 -0.04 0.04 -0.00 -0.05 0.04 0.06 -0.01 0.06 0.19 -0.13 -0.05 0.01 -0.01 0.06 0.01 -0.01 -0.03 0.02 0.00 -0.03 0.15 -0.09 0.01 0.02 -0.01 0.01 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.05 -0.01 -0.04 0.14 0.11 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.05 -0.09 0.06 -0.09 -0.04 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.00 0.04 -0.02 0.02 -0.01 0.00 0.03 0.02 0.01 -0.01 0.03 -0.00 -0.13 -0.15 -0.07 -0.04 0.00 -0.05 0.40 0.27 -0.02 -0.02 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.02 0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.01 -0.20 0.25 0.11 0.29 -0.04 -0.15 -0.22 0.21 0.00 0.22 -0.23 -0.01 0.00 0.35 -0.05 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -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 -0.03 0.00 -0.03 -0.00 -0.03 0.05 -0.00 -0.00 -0.08 0.00 -0.01 0.11 -0.04 -0.01 -0.13 0.01 -0.00 -0.02 0.01 0.00 0.00 0.02 0.01 0.06 0.02 0.01 0.05 -0.05 0.01 0.03 -0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 0.32 -0.00 -0.05 -0.04 -0.05 0.23 0.16 0.06 0.03 -0.11 0.08 -0.04 0.26 -0.02 0.27 0.05 0.10 -0.08 0.03 -0.11 -0.05 -0.06 -0.13 -0.26 -0.00 0.05 0.45 -0.02 -0.09 -0.02 0.00 0.00 0.02 -0.01 -0.03 -0.01 -0.00 -0.02 -0.22 0.02 0.05 -0.05 -0.03 -0.12 0.12 0.00 -0.14 -0.01 -0.18 -0.01 -0.06 0.01 -0.11 0.01 0.13 -0.09 0.14 -0.04 0.01 0.17 -0.11 -0.03 0.00 -0.01 0.04 0.01 -0.01 -0.01 0.02 0.00 -0.01 0.05 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.09 0.02 0.02 -0.08 0.00 0.00 0.03 -0.01 0.01 0.03 -0.01 -0.02 -0.08 -0.01 0.01 -0.00 -0.00 0.03 -0.05 0.02 0.01 0.05 0.00 0.01 0.02 0.03 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.22 -0.15 0.10 -0.06 -0.26 0.07 -0.04 0.25 -0.03 -0.17 -0.26 -0.07 0.15 0.16 0.04 0.20 0.24 0.07 -0.17 -0.21 -0.09 0.17 -0.06 -0.09 0.27 0.02 -0.01 -0.31 -0.01 0.04 0.12 -0.13 -0.07 -0.01 -0.08 0.09 -0.02 0.06 0.13 -0.17 0.02 0.05 -0.05 -0.03 -0.09 0.07 0.02 -0.09 0.00 -0.05 -0.00 -0.03 0.02 -0.06 0.01 0.04 -0.05 -0.15 0.05 0.01 -0.16 0.10 0.03 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 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 0.04 -0.03 0.03 0.02 -0.01 -0.01 -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 0.01 0.02 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.04 0.02 0.01 -0.04 0.01 0.10 0.20 -0.09 -0.16 -0.07 0.03 0.05 0.03 -0.02 0.02 -0.12 0.08 -0.05 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.00 0.03 -0.01 0.02 -0.01 0.01 0.03 0.03 0.01 -0.02 -0.00 -0.00 -0.01 -0.03 -0.01 0.02 0.04 0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.01 0.12 -0.01 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.18 0.11 0.03 -0.43 0.24 0.17 0.05 -0.09 0.37 0.09 -0.16 -0.06 0.19 0.01 -0.04 -0.45 0.27 -0.01 0.10 -0.06 0.02 0.09 -0.06 0.02 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.02 -0.05 -0.02 -0.02 -0.03 -0.06 0.00 -0.00 -0.07 -0.01 -0.03 -0.00 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.02 -0.00 0.04 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.18 -0.02 0.00 0.17 0.32 0.03 0.07 0.16 -0.00 0.19 0.35 0.04 0.21 0.34 0.06 0.12 0.24 0.05 0.21 0.33 0.08 -0.06 0.32 0.05 0.13 0.02 0.01 -0.20 -0.05 -0.00 -0.03 0.03 0.01 -0.02 0.03 0.02 -0.02 -0.00 0.01 0.05 -0.02 -0.02 0.02 0.00 -0.01 0.01 -0.03 -0.00 -0.02 -0.12 0.00 -0.03 -0.00 -0.06 -0.01 0.10 -0.04 -0.07 0.03 0.01 -0.08 0.05 0.00 -0.00 0.00 -0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.01 -0.03 0.01 0.00 -0.02 -0.01 0.01 0.03 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.10 -0.01 0.03 0.02 0.00 0.05 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.04 -0.01 -0.03 0.01 -0.01 0.01 -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 0.00 0.00 -0.00 0.39 -0.30 -0.12 0.04 0.05 0.01 -0.08 -0.01 -0.02 -0.06 -0.02 -0.04 0.05 -0.03 0.01 0.04 0.11 0.01 -0.05 -0.11 -0.01 0.08 -0.01 -0.02 0.61 0.01 -0.06 0.28 0.10 -0.01 -0.13 0.04 0.06 0.09 -0.05 -0.11 -0.02 -0.03 -0.10 -0.03 0.00 0.01 -0.01 -0.01 -0.02 0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.29 -0.20 -0.07 0.11 -0.03 -0.02 -0.01 -0.00 0.03 0.01 -0.02 -0.01 0.02 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.53 -0.34 0.22 -0.52 0.34 -0.22 -0.02 0.09 -0.20 0.06 0.09 0.01 0.07 -0.01 0.21 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.04 0.03 0.01 -0.01 -0.03 0.01 0.08 0.01 -0.02 -0.04 -0.05 -0.02 -0.04 0.05 -0.01 0.00 -0.00 -0.02 0.02 0.01 0.00 0.03 0.01 0.00 0.02 -0.02 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.12 -0.07 0.14 0.16 0.05 -0.31 -0.43 -0.05 -0.10 0.08 -0.10 0.11 -0.13 0.04 0.13 0.44 0.05 -0.06 -0.22 0.01 0.27 0.10 -0.03 -0.39 -0.03 -0.00 0.02 -0.01 0.00 -0.01 0.07 0.03 -0.01 0.07 -0.05 0.03 -0.03 -0.06 -0.08 -0.01 0.03 -0.02 -0.02 -0.08 0.06 0.01 -0.06 -0.03 -0.05 0.00 -0.03 -0.02 -0.06 0.00 0.06 -0.03 -0.03 0.04 0.01 0.05 -0.04 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.02 0.05 -0.01 0.04 -0.01 -0.01 -0.04 -0.02 -0.01 0.01 -0.07 -0.01 -0.01 -0.02 0.04 -0.01 0.00 -0.01 -0.00 0.02 -0.02 0.00 0.00 0.04 -0.02 0.02 -0.02 -0.03 0.02 0.01 0.01 -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 -0.41 -0.20 0.01 -0.19 -0.31 -0.03 -0.06 -0.08 -0.02 -0.01 -0.13 0.01 -0.03 0.01 -0.00 0.02 0.01 -0.01 0.14 0.31 0.05 -0.10 0.53 0.12 -0.01 -0.03 -0.03 0.10 0.10 0.05 0.07 -0.02 -0.02 -0.01 -0.01 -0.00 0.04 0.01 0.02 0.04 -0.06 -0.03 -0.04 0.02 0.03 -0.00 -0.04 0.05 0.00 -0.06 0.02 -0.03 0.08 -0.07 -0.01 0.10 -0.06 0.21 -0.12 -0.05 0.17 -0.09 -0.02 0.00 -0.01 0.03 0.01 -0.02 0.00 0.02 0.00 0.01 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 -0.00 -0.00 0.00 0.03 -0.01 0.01 -0.04 -0.01 0.04 0.01 0.01 -0.00 0.02 -0.03 -0.05 -0.03 0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.22 0.05 0.05 -0.15 -0.11 -0.06 0.25 0.24 0.06 0.26 0.46 0.07 -0.26 -0.45 -0.06 0.05 0.31 0.02 -0.00 -0.16 0.03 0.19 -0.06 -0.04 0.09 -0.00 -0.01 0.00 0.04 0.02 0.01 -0.01 -0.02 -0.03 0.02 0.06 -0.05 0.02 0.06 -0.01 0.00 0.02 0.05 -0.01 -0.05 0.05 -0.02 -0.05 -0.02 -0.01 -0.00 -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.13 -0.08 -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 0.02 -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 0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.01 -0.03 -0.02 0.00 0.01 0.00 0.02 -0.00 0.04 0.01 0.05 -0.01 0.03 -0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.05 -0.07 0.05 -0.06 0.02 -0.01 -0.03 -0.01 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 -0.22 0.07 0.04 0.11 0.15 0.04 -0.06 -0.08 -0.02 -0.02 -0.01 -0.01 0.13 0.21 0.03 -0.01 -0.06 0.01 -0.02 -0.00 -0.02 -0.00 -0.26 -0.05 -0.08 -0.03 -0.05 -0.27 0.01 0.08 0.02 0.01 -0.01 -0.05 0.03 0.06 -0.01 0.01 0.05 0.00 0.03 0.01 0.03 -0.00 -0.00 -0.01 0.02 -0.02 0.00 0.02 -0.01 0.02 -0.04 0.04 0.00 -0.05 0.04 0.65 -0.39 -0.05 -0.15 0.09 -0.06 -0.02 0.01 0.00 0.02 -0.04 -0.02 0.05 0.00 -0.01 0.06 -0.03 0.01 0.02 -0.01 0.01 0.02 -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 -0.01 0.05 0.04 0.00 -0.01 -0.01 -0.03 -0.03 -0.04 -0.01 0.01 -0.01 0.02 0.00 0.07 0.02 -0.01 -0.02 0.03 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.03 -0.03 0.03 -0.08 -0.01 -0.01 0.09 0.01 0.00 -0.07 -0.01 0.00 0.01 0.00 -0.00 0.03 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.28 -0.28 -0.01 0.05 0.05 0.03 0.01 0.07 -0.01 0.06 0.11 0.02 0.14 0.27 0.04 0.02 -0.02 0.02 0.00 0.04 -0.01 -0.03 -0.41 -0.09 0.03 -0.02 -0.04 0.02 0.07 0.04 0.02 0.05 0.00 -0.03 0.05 0.01 0.01 -0.00 0.03 0.03 0.06 0.02 0.07 -0.00 -0.01 -0.00 0.02 -0.04 0.01 0.03 -0.02 0.02 -0.07 0.06 0.00 -0.08 0.05 -0.21 0.14 -0.06 0.51 -0.30 0.02 0.03 -0.03 0.10 -0.01 -0.03 0.05 0.01 0.01 0.05 0.12 -0.08 0.04 -0.02 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 -0.00 0.00 0.00 -0.00 0.01 -0.08 -0.01 -0.00 0.00 0.02 0.01 0.02 -0.01 0.02 0.03 -0.02 -0.11 -0.03 0.01 0.01 0.01 0.00 0.00 0.02 -0.01 0.02 0.00 0.03 0.03 0.01 -0.00 -0.01 0.02 -0.04 -0.02 0.01 0.04 0.01 0.00 -0.05 -0.01 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.41 0.06 0.08 0.15 0.01 -0.01 -0.10 0.00 -0.09 -0.17 -0.01 -0.03 -0.04 -0.01 -0.20 -0.25 -0.06 0.10 0.15 0.03 0.56 0.15 0.03 0.18 0.01 -0.07 -0.21 -0.05 0.02 -0.05 -0.04 -0.02 -0.02 -0.03 0.08 -0.04 0.03 0.04 -0.03 -0.06 0.01 0.02 -0.02 -0.10 0.07 -0.02 -0.06 -0.11 -0.03 -0.00 -0.02 -0.04 -0.04 -0.03 0.03 0.06 -0.03 0.01 -0.04 0.22 -0.13 0.00 0.02 -0.02 0.07 -0.01 -0.03 0.04 0.02 0.01 0.05 0.10 -0.06 0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.00 0.01 0.02 -0.01 0.01 -0.03 -0.02 0.00 -0.02 -0.01 -0.10 0.05 0.03 -0.04 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.03 0.02 0.00 -0.02 0.02 -0.02 0.04 0.03 -0.02 -0.04 -0.01 -0.00 0.06 0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.11 -0.26 -0.04 -0.11 -0.21 -0.02 -0.03 -0.01 -0.01 0.04 -0.01 0.03 0.05 0.16 0.01 -0.10 -0.12 -0.02 0.19 0.35 0.05 0.47 -0.20 -0.05 -0.08 0.00 0.07 0.32 0.06 -0.04 0.06 0.00 0.00 0.03 -0.01 -0.07 0.05 -0.02 -0.04 0.05 -0.00 0.03 0.13 -0.01 -0.11 0.09 -0.02 -0.12 -0.09 -0.03 -0.02 0.01 -0.10 0.02 -0.03 -0.04 0.11 -0.02 0.02 0.05 -0.24 0.15 0.00 -0.02 0.03 -0.09 0.01 0.04 -0.05 -0.03 -0.02 -0.06 -0.13 0.08 -0.03 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.09 0.09 0.05 0.00 -0.04 -0.02 0.02 0.01 -0.02 0.01 0.01 -0.00 -0.03 -0.01 0.00 0.10 -0.01 -0.02 0.01 -0.02 0.02 0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.03 0.02 0.01 0.01 0.00 -0.05 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.45 -0.39 -0.08 -0.11 -0.23 -0.02 0.13 0.32 0.03 0.03 -0.01 0.02 -0.07 -0.06 -0.03 -0.06 -0.10 -0.02 0.03 0.04 0.01 0.14 0.06 0.01 -0.28 -0.02 -0.01 -0.41 -0.05 0.05 0.02 0.01 0.02 0.06 -0.02 -0.10 0.07 -0.04 -0.09 0.00 -0.03 0.00 0.02 -0.00 -0.03 0.03 -0.02 -0.01 -0.03 -0.02 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.09 -0.06 -0.01 0.04 -0.04 -0.01 0.03 -0.03 0.09 -0.01 -0.05 0.07 0.03 0.02 0.09 0.14 -0.09 0.02 -0.02 0.02 -0.01 -0.02 0.01 -0.01 0.00 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 -0.06 -0.06 -0.00 0.05 0.08 0.02 0.02 -0.00 0.01 -0.06 -0.09 -0.01 0.02 0.07 0.01 0.02 0.01 -0.01 -0.00 0.03 0.01 -0.04 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.24 0.29 0.02 -0.20 -0.30 -0.04 -0.14 -0.28 -0.02 0.00 -0.02 -0.01 -0.04 -0.04 0.01 0.21 0.32 0.06 0.15 0.31 0.06 -0.15 -0.27 -0.06 0.06 0.01 -0.05 -0.17 -0.08 0.00 0.02 -0.16 -0.02 0.06 -0.13 -0.03 0.05 -0.00 -0.10 0.17 0.05 0.01 0.15 0.02 -0.03 0.05 -0.03 -0.12 0.04 -0.00 -0.01 0.02 -0.04 0.05 0.00 -0.04 0.02 -0.01 -0.00 -0.01 0.03 -0.03 0.00 0.02 -0.02 0.06 -0.02 -0.04 0.06 0.02 0.02 0.07 0.07 -0.04 0.01 -0.03 0.02 -0.01 -0.03 0.02 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 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 0.01 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.07 -0.02 0.01 0.00 -0.01 0.00 0.01 0.05 -0.03 0.04 0.00 -0.01 0.05 -0.09 -0.01 -0.00 0.02 0.04 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.03 -0.01 0.00 0.01 0.00 0.01 0.01 0.05 0.15 0.04 -0.02 0.00 0.02 0.00 -0.01 0.02 0.00 -0.01 0.00 0.01 -0.02 -0.00 -0.00 -0.02 -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 -0.01 0.01 0.03 -0.24 0.14 0.02 0.11 -0.09 0.25 -0.08 -0.19 0.31 0.09 0.09 0.34 0.25 -0.15 0.02 -0.26 0.21 -0.14 -0.30 0.16 -0.15 -0.03 0.15 -0.14 -0.04 0.05 -0.25 -0.13 -0.02 -0.16 -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 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.08 -0.01 0.01 0.01 0.03 -0.02 0.01 -0.05 0.03 -0.04 -0.01 0.02 -0.07 -0.03 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.07 0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.10 0.06 0.00 0.12 -0.10 0.25 -0.09 -0.21 0.34 0.10 0.11 0.38 0.11 -0.07 0.01 0.24 -0.21 0.15 0.28 -0.14 0.16 0.06 -0.20 0.18 0.05 -0.07 0.33 0.19 0.01 0.21 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.03 -0.00 -0.03 0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 -0.03 -0.03 0.02 -0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.02 0.02 0.00 -0.01 -0.03 -0.01 -0.03 -0.03 -0.01 0.02 0.07 0.01 0.08 0.15 0.02 0.08 -0.13 -0.03 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.01 -0.00 0.01 -0.02 -0.02 0.02 -0.00 -0.01 -0.30 0.16 0.01 -0.23 -0.06 0.17 -0.19 0.18 0.16 -0.10 0.45 0.15 0.11 0.40 -0.14 -0.23 0.36 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.00 0.03 0.09 0.02 -0.06 -0.11 -0.02 0.05 0.07 0.01 -0.01 -0.03 -0.00 0.00 0.01 0.00 -0.02 0.03 0.02 0.04 -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 0.07 0.10 0.01 -0.21 -0.30 -0.04 -0.09 -0.22 -0.02 0.27 0.47 0.07 0.14 0.26 0.04 -0.14 -0.17 -0.03 -0.12 -0.27 -0.06 0.05 0.08 0.02 0.02 0.00 -0.03 -0.03 -0.04 -0.00 0.11 -0.18 -0.02 0.06 -0.10 -0.10 0.07 -0.02 -0.16 -0.23 0.01 -0.01 -0.14 -0.02 0.09 -0.09 0.03 0.16 -0.02 -0.02 -0.00 -0.02 -0.01 -0.02 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.01 -0.01 -0.03 -0.04 -0.00 0.01 0.03 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.10 0.06 0.06 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.11 0.01 0.01 0.15 0.21 0.07 0.11 0.07 0.01 -0.05 -0.06 -0.02 -0.04 -0.08 -0.01 0.01 0.03 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.03 -0.00 0.04 0.01 0.47 -0.31 -0.04 0.17 -0.32 -0.36 0.41 -0.06 -0.31 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.04 -0.01 -0.01 -0.04 0.01 0.02 -0.03 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.00 0.02 0.04 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.09 0.03 0.05 0.00 -0.08 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.04 0.09 0.01 0.05 0.08 0.01 -0.01 -0.13 -0.02 -0.08 -0.20 0.01 -0.02 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.05 -0.04 -0.00 0.02 -0.02 -0.04 0.03 -0.01 -0.04 0.41 -0.14 0.00 0.31 0.06 -0.23 0.24 -0.19 -0.28 -0.02 0.34 0.12 0.06 0.31 -0.12 -0.13 0.28 -0.15 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.08 0.01 -0.01 0.06 -0.02 0.01 0.02 -0.00 -0.00 0.00 0.05 -0.03 0.05 -0.06 0.05 -0.08 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.05 0.06 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.03 0.02 -0.19 0.11 0.04 -0.03 0.01 -0.02 -0.00 0.19 -0.14 -0.15 -0.06 -0.17 0.31 -0.19 0.04 -0.22 0.17 -0.09 -0.24 0.13 -0.09 0.25 -0.24 0.17 0.01 -0.06 0.43 0.31 -0.14 0.18 -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 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.12 0.02 -0.02 0.06 -0.03 0.01 0.04 0.05 -0.03 0.02 -0.05 0.03 -0.05 0.05 -0.03 0.04 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.02 -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 0.01 0.10 0.08 0.08 -0.00 -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 -0.07 0.05 0.03 -0.26 0.15 0.05 0.02 -0.02 0.07 -0.06 0.29 -0.11 -0.26 -0.06 -0.16 0.44 -0.27 0.07 0.20 -0.19 0.12 0.25 -0.11 0.13 -0.18 0.13 -0.07 0.00 0.03 -0.25 -0.19 0.11 -0.07 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.05 -0.06 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.02 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 0.03 0.04 0.00 0.02 -0.02 0.07 0.05 -0.06 -0.02 -0.03 0.02 -0.07 -0.07 0.04 0.02 0.06 -0.03 -0.01 0.02 -0.02 0.06 0.00 0.00 0.00 0.04 0.04 0.57 -0.06 0.57 0.08 -0.09 -0.12 -0.01 -0.03 0.03 0.09 -0.02 -0.01 -0.11 0.01 0.02 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.03 0.05 0.01 0.04 -0.01 -0.01 -0.12 0.07 -0.23 0.15 -0.26 -0.05 0.27 0.01 0.01 0.06 -0.04 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.01 0.03 -0.02 0.02 -0.03 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.07 -0.06 0.23 0.21 -0.11 -0.04 -0.12 0.12 -0.36 -0.33 0.18 0.08 0.39 -0.21 -0.08 0.10 -0.15 0.41 0.01 0.01 0.00 -0.00 -0.01 -0.08 0.01 -0.08 -0.01 -0.02 -0.05 -0.00 -0.02 0.04 0.02 -0.04 -0.01 -0.05 0.07 0.15 0.02 -0.09 -0.02 0.08 0.00 0.08 -0.12 -0.14 -0.03 -0.00 -0.03 0.03 -0.08 0.01 -0.07 0.09 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.05 -0.02 0.08 -0.05 0.09 0.02 -0.09 -0.00 -0.01 -0.03 0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 0.03 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.02 -0.03 0.02 0.05 -0.05 0.03 -0.00 0.03 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.01 0.01 -0.04 -0.03 0.03 0.01 -0.00 0.01 -0.02 -0.02 0.01 0.00 0.08 -0.04 -0.02 0.02 -0.03 0.08 0.00 0.00 0.00 -0.02 -0.02 -0.33 0.07 -0.34 -0.06 0.07 0.08 0.01 0.02 -0.01 -0.07 0.00 0.01 0.07 0.02 0.04 0.01 -0.02 -0.00 0.03 0.00 0.01 -0.03 -0.05 -0.01 0.00 -0.01 0.01 -0.03 0.01 -0.02 0.02 -0.07 0.02 0.01 -0.09 0.04 0.02 -0.21 0.11 -0.38 0.25 -0.41 -0.09 0.43 0.01 0.02 0.21 -0.13 0.01 0.00 -0.03 0.03 0.03 0.01 0.04 -0.02 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.04 -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 -0.04 0.00 -0.00 0.05 0.45 -0.21 0.06 0.36 0.60 0.08 -0.39 0.29 -0.08 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.04 0.02 -0.03 0.02 -0.00 0.01 0.02 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.01 0.01 0.02 0.00 0.01 0.00 0.02 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -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 -0.04 -0.00 0.13 -0.13 0.44 0.40 -0.22 -0.09 -0.06 0.03 -0.16 -0.15 0.07 0.03 -0.23 0.12 0.05 -0.06 0.09 -0.24 -0.00 -0.01 -0.00 -0.01 -0.01 -0.11 0.02 -0.11 -0.02 -0.07 -0.13 -0.01 -0.04 0.09 0.07 -0.08 -0.02 -0.14 -0.06 -0.24 -0.04 0.04 -0.01 -0.18 -0.05 -0.02 0.14 0.25 0.00 -0.01 0.08 -0.04 0.19 -0.05 0.12 -0.09 -0.01 -0.00 0.00 -0.02 0.01 0.00 -0.02 0.02 -0.04 0.02 -0.04 -0.01 0.05 -0.00 -0.00 0.03 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.02 0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.01 0.02 -0.02 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.06 0.05 -0.19 -0.17 0.10 0.04 0.00 0.04 -0.04 -0.04 0.03 0.01 0.22 -0.10 -0.04 0.07 -0.07 0.24 0.02 0.01 -0.00 0.00 0.00 0.03 -0.01 0.03 0.00 0.03 0.06 0.01 0.02 -0.05 -0.03 0.04 0.01 0.07 0.00 -0.32 -0.04 -0.13 -0.08 -0.35 -0.14 0.17 0.09 0.35 -0.13 -0.06 0.22 0.03 0.42 -0.21 0.21 0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.01 -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 0.14 0.17 -0.24 -0.06 -0.16 -0.28 -0.39 -0.23 0.38 -0.01 0.06 -0.28 -0.05 0.40 0.44 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.03 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.34 0.63 0.05 -0.26 0.14 0.34 0.38 -0.09 -0.35 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.02 -0.02 -0.01 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.02 0.02 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.02 -0.02 0.06 0.06 -0.03 -0.01 0.06 -0.03 0.14 0.13 -0.07 -0.03 -0.12 0.07 0.02 -0.06 -0.00 -0.14 -0.06 0.07 0.01 -0.01 -0.00 -0.03 0.01 -0.03 -0.01 -0.06 -0.14 -0.01 -0.03 0.06 0.07 -0.05 -0.02 -0.14 0.24 0.19 0.04 -0.23 -0.06 0.01 -0.02 0.23 -0.30 -0.21 -0.27 -0.08 0.19 0.28 0.15 -0.27 0.03 0.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.00 -0.01 0.02 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.03 -0.03 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 0.06 0.00 0.02 -0.08 0.14 0.11 -0.11 -0.03 -0.03 0.06 -0.11 -0.10 0.06 0.03 -0.12 0.06 0.02 -0.04 0.02 -0.13 -0.02 0.02 0.00 0.04 0.01 0.12 -0.04 0.12 0.02 0.34 0.52 0.05 0.12 -0.05 -0.39 -0.01 0.07 0.47 0.06 0.06 0.01 -0.04 -0.01 0.03 0.01 0.04 -0.07 -0.04 -0.06 -0.02 0.05 0.06 0.04 -0.06 0.01 0.10 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.00 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 0.00 -0.03 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.02 -0.00 0.04 0.03 -0.01 -0.01 -0.05 -0.03 -0.00 0.01 0.02 -0.02 0.06 0.04 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.03 -0.02 -0.03 -0.00 -0.02 0.23 0.38 0.06 -0.24 -0.04 0.20 0.04 0.20 -0.37 0.45 0.14 0.02 -0.03 -0.26 0.17 0.11 0.14 -0.37 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 -0.00 0.01 -0.01 -0.02 0.02 -0.01 -0.02 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.03 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.04 0.03 0.01 -0.03 0.07 0.06 -0.02 -0.01 0.05 -0.11 0.21 0.20 -0.11 -0.05 0.14 -0.07 -0.03 0.05 -0.02 0.15 0.01 -0.01 -0.00 0.03 0.00 0.01 -0.03 0.01 0.00 0.35 -0.08 -0.01 -0.04 0.51 -0.35 -0.50 -0.01 -0.19 -0.04 -0.06 -0.01 0.02 -0.00 -0.04 -0.02 -0.01 0.06 -0.00 0.02 0.01 -0.02 -0.02 -0.03 0.03 -0.02 -0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.03 0.03 -0.02 -0.04 0.03 -0.03 -0.02 0.01 -0.02 0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.01 0.00 0.01 0.00 0.00 0.01 -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 0.03 -0.03 -0.02 0.09 -0.10 0.32 0.28 -0.18 -0.07 0.15 -0.10 0.41 0.38 -0.19 -0.09 0.20 -0.10 -0.04 0.06 -0.07 0.22 0.00 -0.02 0.00 -0.01 0.00 0.01 0.01 0.01 0.00 -0.12 0.14 0.01 0.04 -0.25 0.11 0.23 0.02 0.18 0.02 -0.09 -0.01 -0.08 -0.04 -0.12 -0.06 0.09 0.01 -0.02 0.05 0.02 -0.05 -0.04 -0.07 0.06 -0.04 -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 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.03 -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 -0.01 -0.00 0.03 -0.01 0.07 0.06 -0.04 -0.01 0.01 -0.05 0.08 0.09 -0.05 -0.02 0.12 -0.05 -0.02 0.02 -0.06 0.11 0.07 0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.00 -0.04 0.02 0.04 0.00 0.02 -0.22 0.26 0.03 0.33 0.14 0.42 0.21 -0.40 0.10 0.19 -0.15 -0.06 0.18 0.08 0.31 -0.20 0.17 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.04 0.02 0.06 -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 -0.01 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 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.02 0.01 -0.02 0.00 0.02 0.00 0.01 0.02 -0.01 0.01 0.46 0.21 -0.37 0.08 -0.44 -0.45 0.19 0.11 -0.19 0.01 -0.03 0.15 0.02 -0.19 -0.22 -0.01 0.01 -0.02 0.04 -0.01 -0.10 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.00 0.03 -0.02 0.00 -0.31 0.22 -0.21 0.02 -0.02 0.06 0.35 -0.23 0.13 -0.12 0.06 0.16 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.02 0.01 -0.21 0.12 0.02 -0.13 0.13 -0.36 0.09 -0.23 0.11 0.24 0.01 0.15 -0.36 0.19 0.12 -0.02 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 0.01 -0.00 -0.02 0.07 -0.01 -0.22 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.31 0.19 -0.06 0.28 -0.18 0.06 0.04 -0.04 0.06 0.00 -0.00 -0.00 -0.09 0.07 -0.08 -0.11 0.02 0.35 -0.02 0.01 0.01 0.01 -0.00 -0.01 -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 0.00 0.00 -0.00 0.00 0.00 0.10 -0.02 -0.00 -0.16 0.09 0.04 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.38 -0.20 -0.20 -0.30 0.16 0.17 -0.01 0.02 -0.05 0.00 0.04 -0.04 -0.02 -0.01 -0.05 0.27 -0.15 -0.07 0.08 -0.01 0.01 0.04 -0.07 0.00 0.00 0.01 -0.01 0.01 -0.01 0.04 -0.00 -0.00 -0.02 0.02 -0.01 -0.02 0.08 -0.02 -0.25 -0.01 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 -0.04 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.27 -0.17 0.06 -0.29 0.18 -0.07 0.12 -0.08 0.08 -0.02 0.01 -0.01 -0.03 0.03 -0.09 -0.17 0.05 0.40 -0.02 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.10 0.02 0.03 0.13 -0.06 -0.04 -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 -0.31 0.16 0.19 0.35 -0.18 -0.18 0.01 -0.00 0.03 0.01 0.01 -0.07 0.01 -0.00 -0.08 0.19 -0.10 -0.09 0.08 -0.01 0.01 0.04 -0.07 0.01 0.00 0.00 -0.01 0.01 -0.01 0.04 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.04 -0.00 0.01 -0.06 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.03 -0.17 0.06 -0.03 -0.03 0.01 -0.03 0.20 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 0.10 -0.54 -0.16 0.06 0.09 0.03 -0.16 0.73 0.00 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.06 -0.00 0.04 -0.01 -0.03 -0.03 -0.02 -0.00 0.01 -0.03 0.06 -0.02 -0.03 -0.06 -0.03 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.06 0.01 -0.01 0.04 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 -0.11 0.71 -0.12 0.07 0.07 -0.03 0.08 -0.56 -0.01 0.01 0.00 0.01 -0.01 0.07 -0.00 0.01 -0.03 0.06 -0.03 -0.03 0.01 -0.07 0.31 -0.01 0.12 -0.01 -0.00 0.00 -0.03 -0.00 0.01 -0.05 -0.03 -0.01 -0.01 0.01 0.05 -0.01 -0.00 0.01 -0.04 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.02 0.02 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.01 0.02 -0.04 0.02 -0.03 -0.00 0.01 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 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 -0.01 0.02 -0.12 -0.00 0.00 0.00 0.01 -0.02 0.12 -0.07 0.03 0.04 -0.02 0.06 -0.31 0.01 -0.11 0.58 0.41 -0.18 -0.21 0.01 -0.11 0.48 0.00 -0.05 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.11 0.00 -0.01 0.00 0.02 0.01 0.01 -0.00 0.03 -0.11 -0.02 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 -0.00 0.00 0.00 -0.01 0.01 -0.05 -0.02 0.02 -0.03 0.01 -0.01 0.03 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.08 0.56 0.23 -0.12 -0.13 0.03 -0.08 0.51 -0.09 0.04 0.06 -0.04 0.09 -0.47 0.00 0.01 -0.05 -0.14 0.06 0.07 -0.00 0.02 -0.09 0.00 -0.10 0.02 -0.02 0.03 -0.15 -0.01 0.01 -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.02 0.11 -0.03 0.01 0.02 -0.01 0.03 -0.16 0.00 -0.00 0.01 -0.03 0.01 0.02 -0.00 0.00 -0.01 -0.03 0.85 -0.11 0.07 -0.09 0.43 -0.01 0.01 -0.08 0.05 0.02 0.02 -0.01 -0.08 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.02 -0.02 0.02 -0.05 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.04 0.23 0.25 -0.14 -0.14 0.02 -0.06 0.39 0.15 -0.07 -0.10 0.06 -0.13 0.71 -0.00 -0.02 0.10 0.24 -0.10 -0.12 0.00 -0.01 0.05 -0.00 0.09 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.07 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.05 -0.04 0.01 0.02 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.00 0.02 -0.01 0.04 -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 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.01 0.03 0.00 -0.01 0.05 0.03 -0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.06 -0.37 0.04 -0.21 0.04 0.20 0.15 0.11 0.02 -0.14 0.56 0.38 -0.12 -0.20 -0.34 -0.22 -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 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.03 -0.00 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.02 0.04 -0.02 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.13 0.03 -0.01 -0.02 0.00 -0.01 0.06 -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 -0.10 0.61 -0.07 0.35 -0.06 -0.33 -0.25 -0.18 0.01 -0.08 0.32 0.23 -0.07 -0.12 -0.20 -0.13 -0.11 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -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 0.01 -0.01 0.05 0.01 -0.01 -0.01 0.01 -0.01 0.09 0.06 -0.03 -0.03 -0.00 0.00 -0.01 0.00 -0.01 0.04 -0.03 0.01 0.02 0.00 -0.00 0.01 -0.00 0.11 -0.01 0.00 -0.00 0.02 0.05 -0.11 0.70 -0.37 -0.13 -0.13 0.05 0.52 -0.11 -0.00 0.00 -0.02 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.05 0.01 0.07 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -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 -0.00 0.00 -0.00 -0.24 0.11 0.13 -0.00 0.02 -0.12 -0.03 0.10 -0.52 0.63 -0.27 -0.29 -0.01 0.04 -0.18 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.06 -0.01 -0.00 -0.00 0.00 0.04 -0.01 0.00 -0.02 0.09 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.09 -0.03 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.05 0.03 0.06 0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.11 0.66 -0.37 -0.34 -0.04 0.06 -0.36 -0.25 0.12 0.14 0.00 -0.00 -0.00 0.00 -0.01 0.07 -0.07 0.03 0.03 0.00 -0.00 0.02 0.00 -0.04 0.00 0.01 -0.02 0.10 0.01 -0.01 0.07 0.02 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.03 0.00 -0.01 0.00 -0.02 -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 0.03 -0.02 -0.02 -0.08 -0.04 -0.04 -0.00 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.02 0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.09 0.05 0.04 0.00 -0.01 0.05 0.03 -0.02 -0.02 -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 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 0.21 -0.11 -0.11 -0.56 -0.28 -0.26 -0.01 0.63 -0.12 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.09 -0.07 -0.10 0.06 0.03 0.07 0.08 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.04 0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 0.04 -0.02 -0.02 -0.12 -0.06 -0.05 -0.00 0.13 -0.03 0.00 0.00 -0.00 0.01 0.02 0.02 -0.02 -0.02 0.01 0.12 0.44 0.35 0.46 -0.26 -0.12 -0.36 -0.36 0.26 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 -0.01 0.05 -0.07 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.13 -0.04 0.02 0.02 0.00 -0.01 0.06 0.04 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.43 0.04 0.14 -0.15 0.85 -0.01 0.01 -0.06 -0.03 -0.01 -0.01 0.01 0.09 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.07 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.17 0.53 0.43 -0.42 -0.46 0.31 -0.02 -0.05 -0.04 0.06 -0.03 -0.02 0.04 0.05 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.02 -0.04 0.02 0.04 -0.01 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 0.04 0.00 -0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.16 -0.09 -0.08 -0.01 0.02 -0.12 0.48 -0.23 -0.26 -0.02 0.04 -0.20 -0.00 0.02 -0.09 0.10 -0.05 -0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.06 -0.09 -0.03 -0.03 -0.00 -0.04 0.01 -0.00 0.05 -0.31 -0.03 0.18 -0.02 -0.19 -0.14 -0.09 0.02 -0.11 0.39 -0.23 0.07 0.10 0.20 0.13 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.04 0.02 0.04 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.03 -0.02 -0.04 0.01 0.01 0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 0.15 -0.08 -0.08 -0.01 0.02 -0.11 0.46 -0.22 -0.25 -0.02 0.04 -0.19 -0.00 0.02 -0.10 0.11 -0.05 -0.05 -0.00 0.01 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.07 -0.09 -0.03 -0.03 -0.00 -0.03 0.01 0.00 -0.05 0.26 -0.01 0.03 -0.01 0.33 0.24 0.17 -0.01 0.10 -0.36 0.13 -0.04 -0.06 -0.25 -0.16 -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 -0.01 -0.00 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.05 0.01 -0.01 -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 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.04 0.02 0.02 0.00 -0.01 0.03 0.00 -0.01 0.05 -0.05 0.02 0.02 0.00 -0.04 0.17 -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 0.03 -0.01 -0.00 -0.08 0.44 0.01 -0.10 0.00 0.41 0.30 0.21 0.02 -0.12 0.45 -0.35 0.12 0.17 0.17 0.11 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 0.01 -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 0.01 0.01 -0.06 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 -0.01 0.02 -0.12 0.01 -0.01 -0.01 -0.00 0.01 -0.02 -0.04 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 0.05 -0.01 -0.01 0.01 -0.07 -0.04 0.08 -0.61 -0.10 -0.05 -0.02 0.07 0.74 -0.13 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.03 -0.01 -0.02 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.05 -0.03 -0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.03 0.01 0.00 -0.02 0.09 0.00 -0.02 0.00 0.10 0.07 0.05 -0.02 -0.01 0.02 0.57 -0.20 -0.30 0.52 0.36 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.08 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.57 0.26 0.27 -0.03 0.70 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.02 -0.01 -0.01 -0.01 -0.09 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.01 0.01 0.00 -0.00 0.02 -0.13 0.06 0.07 0.01 -0.01 0.04 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.05 0.17 0.06 0.06 0.00 0.08 -0.02 -0.01 0.02 -0.22 -0.17 0.83 -0.14 0.26 0.17 0.14 -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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.06 -0.01 0.03 0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.13 0.40 0.35 0.33 0.36 -0.26 -0.09 -0.33 -0.28 0.01 0.01 0.00 -0.28 -0.28 0.21 -0.00 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 -0.07 -0.04 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.17 -0.08 -0.09 -0.01 0.01 -0.05 -0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 0.22 0.79 0.26 0.26 0.01 0.32 -0.07 0.00 -0.00 0.04 0.03 -0.16 0.03 -0.05 -0.03 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.07 0.04 0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.07 -0.06 0.05 0.05 -0.04 -0.10 -0.30 -0.24 0.70 -0.40 -0.17 0.23 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.05 -0.01 -0.04 -0.06 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.11 0.32 0.28 0.26 0.29 -0.21 0.11 0.41 0.34 0.00 -0.02 -0.00 0.34 0.35 -0.26 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.02 -0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 0.04 -0.23 0.04 -0.16 0.95 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -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 -0.01 0.02 -0.08 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 -0.04 0.00 0.01 -0.01 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 0.06 -0.16 0.95 0.01 -0.04 0.23 -0.02 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.01 0.01 -0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.07 -0.05 0.03 0.03 -0.01 -0.01 -0.01 -0.00 0.02 -0.00 -0.09 -0.08 0.98 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.04 0.03 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.77 -0.39 -0.42 0.14 0.08 0.07 -0.01 -0.18 0.04 -0.01 -0.01 0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 8 8 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 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 49 8 8 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 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 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 1.00783 1.00783 266.22458 0.99999 0.00141 0.00296 -0.0014 0.99999 -0.0031 -0.00296 0.0031 0.99999 asymmetric 1 0.02089 0.00503 0.00435 0.43520 0.10488 0.09070 1150043.4 18.67 31.10 33.25 63.19 77.87 85.04 98.44 123.11 134.18 146.61 173.91 184.87 195.49 205.13 275.65 301.61 333.64 347.57 350.56 359.10 367.91 390.70 407.28 422.90 469.44 490.18 557.92 584.01 598.96 611.52 646.95 671.58 694.57 736.97 805.26 906.03 1078.54 1081.78 1115.03 1145.67 1190.42 1197.16 1209.45 1223.21 1259.97 1288.68 1297.91 1323.27 1347.02 1359.67 1372.86 1392.73 1412.65 1428.50 1442.70 1479.79 1485.54 1502.47 1517.08 1522.84 1530.18 1546.08 1588.91 1631.15 1642.16 1655.41 1672.07 1686.17 1690.32 1710.68 1740.79 1792.45 1817.17 1841.86 1861.87 1872.95 1879.90 1913.42 1923.71 1934.40 1940.40 1962.49 1962.72 1981.50 1991.12 1999.14 2008.73 2012.36 2021.04 2026.71 2035.52 2043.86 2056.08 2112.55 2115.80 2119.20 2120.01 2123.60 2128.59 2133.09 2135.54 2136.23 2139.93 2144.91 2148.80 2154.48 2157.87 2166.43 2344.08 2403.80 2440.55 4288.07 4292.86 4297.04 4302.00 4309.78 4314.35 4321.71 4329.75 4332.96 4344.05 4360.18 4360.21 4360.59 4378.29 4386.66 4404.80 4406.68 4413.02 4416.12 4419.75 4425.34 4437.35 4439.45 4445.38 4460.99 4473.59 4497.17 4518.30 4561.49 4564.03 0.438028 0.461785 0.462729 0.381121 -816.189340 -816.165584 -816.164640 -816.246248 289.774 85.859 171.759 0.000 0.000 0.000 0.889 2.981 42.637 0.889 2.981 35.605 287.997 79.897 93.517 1 0.593 1.987 7.493 2 0.593 1.985 6.480 3 0.593 1.985 6.348 4 0.595 1.980 5.074 5 0.596 1.976 4.661 6 0.596 1.974 4.487 7 0.598 1.969 4.198 8 0.601 1.959 3.759 9 0.602 1.954 3.590 10 0.604 1.948 3.418 11 0.609 1.932 3.086 12 0.611 1.925 2.969 13 0.614 1.918 2.861 14 0.616 1.911 2.769 15 0.634 1.852 2.212 16 0.642 1.826 2.047 17 0.653 1.792 1.864 18 0.658 1.777 1.791 19 0.659 1.773 1.776 20 0.662 1.763 1.733 21 0.666 1.753 1.691 22 0.675 1.726 1.586 23 0.682 1.705 1.515 24 0.689 1.685 1.451 25 0.710 1.623 1.278 26 0.720 1.594 1.209 27 0.756 1.496 1.009 28 0.771 1.457 0.941 29 0.780 1.435 0.905 30 0.787 1.416 0.875 31 0.809 1.362 0.797 32 0.824 1.324 0.747 33 0.839 1.288 0.703 34 0.867 1.223 0.628 35 0.915 1.119 0.524 0.149858e+27 26.175681 60.271733 0.650698e+11 10.813379 24.898726 0.100000e+01 0.000000 0.000000 0.170736e+09 8.232326 18.955631 0.134889e+08 7.129976 16.417375 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.4007 -1.1100 -1.6357 3.1098 -122.1296 -117.7270 -124.4611 -8.2445 12.0861 -2.7613 -0.6904 3.7122 -3.0219 -8.2445 12.0861 -2.7613 -127.9441 -2.0380 -7.1850 -32.8752 48.6195 -56.5457 13.5514 -5.2746 6.7886 9.6017 -12132.2921 -2965.7038 -755.6221 -436.6963 377.2682 -146.2584 -24.2965 40.5031 -14.1261 -2540.9274 -2413.0468 -611.1993 -38.7272 11.1294 9.4647 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -816.6273689 3.471E-9 1.43E-6 0.4380284 0.461785 -816.1655839 -816.1646397 -816.2462481 6.2044222,-5.8636196,-0.3408026,4.8267209,7.7596244,-2.9980214 C01 [X(C17H30O2)] -1.0305931 0.3597641 0.5525806 -2.5008168 0.059305 -0.8061681 -0.0165285 -0.4243378 -0.1535029 -0.9783111 -0.1198647 -1.2174798 -1.4217202 0.2211825 0.2424913 0.3192414 -0.6379747 -0.3466769 0.5938289 -0.4150009 -1.4756299 0.2631795 -0.0164395 -0.0033917 -0.1089319 0.1978371 0.0301417 0.2878113 -0.0154055 0.215433 0.0270063 -0.0289916 0.0057395 -0.0120454 0.0110272 0.0534863 -0.0587343 0.0581315 0.218862 0.1452646 -0.0440678 -0.0216027 -0.0117166 0.0042724 0.0892186 0.0086384 0.0753447 0.2147942 0.1213513 0.0086319 -0.0182632 -0.0202217 0.0513603 0.089233 -0.0316178 0.1053591 0.2035698 0.2191396 -0.0400456 -0.0111228 0.0010615 0.1568078 0.0128095 -0.0101585 0.0092049 0.2122989 -0.2977628 0.114494 0.0415521 0.11954 0.0754587 0.0451584 -0.137717 0.0467712 0.1523649 -0.0255423 0.0204126 0.0519408 0.1234599 0.0436831 0.0217872 -0.0464981 0.0324772 0.1372154 -0.040593 0.0412289 0.0464627 0.0312144 0.0615837 0.0166173 0.0321866 0.0275603 0.1413928 0.0247894 -0.0462651 0.0122992 -0.0618235 0.0237965 0.0301203 0.0221121 0.0492335 0.1544008 0.7868512 -0.196777 -0.0034631 -0.0899935 -0.180826 0.1082885 0.0559898 0.1459842 0.0947269 -0.8871505 0.1927303 0.0886234 0.1070823 -0.2505896 0.0764158 -0.0644703 0.0724298 0.0073614 1.6815203 -0.2413825 0.1181347 -0.1503959 0.086446 0.1347697 0.3176724 0.130426 0.4717204 -0.1352849 0.0096066 -0.0887328 0.0504836 0.0762369 -0.0865009 0.0261139 -0.1117136 -0.2057168 -2.2578298 0.2784211 -0.1512119 0.1977222 -0.3090156 0.0725528 -0.1970307 0.075572 -0.1362217 3.7663406 -0.3628267 0.4719499 -0.4389887 0.6332058 0.4720466 0.0561035 0.5456983 2.1224263 1.3701986 -0.0662074 0.226517 -0.1188289 0.4232995 -0.0296544 0.0452986 -0.0036017 0.4217365 -0.0480277 -0.0013964 -0.0822578 -0.0037468 0.1129606 -0.0224902 -0.0778432 -0.0237116 0.013438 0.0062705 -0.0130894 -0.0098543 -0.0112137 -0.0079179 -0.0633262 -0.0553095 -0.066745 -0.2481713 -0.2252071 0.0525839 0.0687665 0.0012267 0.0306734 -0.0057506 0.1197078 -0.0154509 0.0221555 0.0493492 -0.0026313 -0.0370263 -0.0155009 -0.0072484 -0.0495677 -0.0550881 -0.061129 -0.2332983 -0.1884755 0.0661751 0.0625307 0.0695996 0.0206925 -0.0153813 0.0858517 -0.0204071 0.0248312 0.0414925 -0.0242134 -0.0507888 -0.0352391 -0.0116541 -0.0743836 -0.0867895 -0.0647587 -0.2285551 0.0507567 -0.0287975 -0.0262994 -0.0347929 -0.0193949 -0.0926863 -0.0647012 -0.0797984 -0.2238602 -0.2227308 0.0762524 0.0673244 0.1018683 -0.0190797 -0.0117984 0.0948432 -0.0186414 0.0319315 -0.0096447 -0.0063133 -0.0345204 -0.0168865 -0.0351308 -0.113708 -0.0318011 -0.0894687 -0.2350148 -0.1591057 -0.101035 0.0092992 -0.0626522 -0.1290487 0.0276241 0.1353442 -0.0274645 0.0862748 0.0050702 0.0200335 -0.0739157 0.0378734 0.0413958 -0.0836892 0.0181056 -0.044102 -0.1800366 0.037112 -0.0163209 -0.0618529 0.0053152 0.0684999 -0.0828325 0.0307653 -0.0811571 -0.1913245 -0.0788736 0.1389689 -0.0421566 0.1574843 -0.0611779 0.0812073 -0.0444343 0.0914484 0.0134265 -0.0440303 -0.1227893 0.0256283 -0.1814197 -0.1406426 0.0048214 0.0234037 -0.0135357 0.0754305 0.0457764 -0.0044183 -0.053165 0.02006 0.0543327 -0.0780899 0.0167597 -0.1113693 -0.192556 -0.1264446 -0.1302222 0.0217718 -0.1563532 -0.0383725 -0.0192425 0.0115185 -0.0269743 0.0774728 0.0371639 0.0725571 -0.0217907 0.1076467 -0.1374742 0.1290178 -0.0481548 0.1502079 -0.01848 0.0561894 -0.0354441 -0.0085496 -0.0448241 0.0253511 -0.0693671 -0.0647145 -0.130595 -0.1773807 -0.1851757 0.0514833 0.0879726 0.1005157 0.0180069 -0.0490483 0.0946829 -0.0356312 0.0529918 0.0411146 0.0486209 -0.0604036 0.0123397 -0.1530772 0.1444172 -0.0369148 0.16498 -0.0277234 0.0591911 0.0155674 -0.0120416 -0.001872 0.1528086 -0.0699388 -0.0098004 -0.0875173 -0.0878894 0.0354631 0.0159168 -0.0122953 0.0229792 0.1447582 -0.0935399 0.0262716 -0.0963881 -0.0981945 0.0525233 0.0468021 0.1041433 0.0254748 0.0957713 -0.0329178 0.048192 -0.0257177 0.058186 0.0680746 0.0713523 -0.0472204 0.0806568 -0.0264954 0.0772871 -0.0969348 0.0440983 -0.0106197 0.0061746 -0.1110253 -0.0054352 -0.1430807 -0.0144128 -0.0423786 -0.0216276 0.0031436 0.0408669 0.0584951 0.0247783 0.0179742 0.0251508 0.1764864 -0.0881954 0.0097549 -0.0871161 -0.0501426 -0.1062597 0.0067998 -0.0434501 -0.0252273 -0.0039919 0.1177038 0.0630662 0.0945464 -0.0715863 -0.0954864 -0.0300114 -0.0616243 0.056137 -0.1302631 -0.0651926 0.0126629 -0.0678588 0.0471727 0.0692509 -0.0688445 0.0709413 -0.0626788 -0.0022237 0.1121563 0.003838 0.0873176 -0.0869501 -0.1657392 0.0393554 0.0041921 0.0436353 0.1008031 -0.0188409 0.0190703 -0.0205062 0.0532093 0.0967917 0.0462957 0.0023495 0.0071933 -0.1472059 -0.0881793 -0.0409426 -0.0483043 0.0311409 409.4995886|-23.1348004|253.4361854|21.8014416|2.9634706|265.5968456 0.000001497 0.000002686 0.000001564 -0.000000423 0.000001998 0.000000750 -0.000001865 -0.000002768 0.000001949 -0.000000166 0.000000641 -0.000001065 -0.000000005 -0.000000193 0.000000591 -0.000000468 0.000000187 -0.000001212 0.000000237 -0.000000026 -0.000000145 -0.000000316 0.000004220 -0.000003231 0.000001086 0.000000649 -0.000001443 0.000000324 -0.000001425 -0.000000263 -0.000000159 -0.000000372 -0.000000311 0.000002703 -0.000001567 0.000001416 -0.000002432 -0.000005796 0.000000648 0.000001617 0.000002994 -0.000003489 -0.000000675 -0.000003268 0.000003873 -0.000003602 0.000003625 0.000002185 0.000002739 -0.000002622 -0.000003556 0.000001692 -0.000002993 0.000001631 -0.000001180 0.000000306 0.000000128 -0.000000504 -0.000000042 -0.000000160 0.000000427 -0.000000430 -0.000000003 -0.000000142 0.000000038 0.000000521 -0.000001657 -0.000000206 -0.000000280 0.000000087 -0.000000143 -0.000000448 -0.000000478 -0.000000022 0.000000420 0.000000479 0.000000025 0.000000002 -0.000000662 -0.000000555 -0.000000344 0.000001200 -0.000002042 0.000001472 0.000000278 0.000000223 0.000000729 -0.000000247 -0.000000408 0.000000627 -0.000000716 0.000000794 -0.000000071 -0.000000505 -0.000000636 -0.000000038 -0.000000400 0.000000087 0.000000518 -0.000001025 -0.000001257 0.000000221 -0.000000681 0.000000107 -0.000000443 0.000000004 0.000000440 0.000000534 0.000000309 0.000000050 -0.000000140 -0.000000552 0.000000401 -0.000000365 -0.000000013 0.000001801 -0.000001446 -0.000000089 -0.000000197 0.000000529 0.000002320 0.000000390 -0.000000608 0.000001933 0.000000538 -0.000001495 -0.000002272 0.000000201 0.000000717 0.000001254 0.000000438 -0.000000264 -0.000000446 0.000001594 -0.000000489 -0.000000114 0.000000385 -0.000000745 0.000000347 0.000000073 0.000000295 0.000001027 0.000000824 -0.000000295 0.000000233 0.000001253 0.000001026 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C17H30O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Hydroprene CONF222 octanol 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 49 16 16 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 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 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 1.0078250 1.0078250 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 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 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 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 617 A 598 A 598 924 617 74 74 1363.6359415781 49 49 49 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 -0.0439961046 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.252807 0.000000 8.164455 7.841582 0.000000 7.782553 7.612132 1.538736 0.000000 8.953710 8.660232 2.590739 1.532863 0.000000 8.891047 8.733924 3.945150 2.548914 1.533033 0.000000 10.198567 9.924398 5.180156 3.947206 2.594685 1.539355 0.000000 7.162158 6.952281 1.549371 2.543892 3.939488 5.083198 6.461958 0.000000 9.478694 9.290326 1.533572 2.551631 3.146300 4.565897 5.618180 2.520816 0.000000 11.436666 11.253371 5.603402 4.566395 3.136992 2.554288 1.534546 7.005076 5.623221 0.000000 10.294831 10.133160 6.443015 5.063245 3.923745 2.523837 1.534124 7.578594 6.989318 2.518744 0.000000 5.977144 5.525092 2.548674 3.087614 4.451988 5.365575 6.750071 1.496476 3.870099 7.574374 7.704203 0.000000 4.680841 4.499986 3.620581 3.736729 5.144111 5.751562 7.202364 2.517481 4.924122 8.150559 7.937340 1.342998 0.000000 3.621926 3.061401 4.872608 4.848843 6.100653 6.514764 7.878350 3.893386 6.270746 9.001284 8.442641 2.498837 1.463783 0.000000 4.431929 3.036087 5.244523 5.358298 6.412060 6.901330 8.109189 4.461603 6.700731 9.293512 8.720317 2.967146 2.545533 1.503793 0.000000 2.308091 2.422947 5.937458 5.723580 6.977609 7.177492 8.556519 4.920956 7.281445 9.718910 8.931589 3.675690 2.408481 1.359027 2.537809 0.000000 1.355234 1.222700 7.303874 7.025411 8.175344 8.238096 9.526194 6.337668 8.692123 10.789265 9.746155 5.016722 3.821397 2.536779 3.116354 1.465108 0.000000 1.453253 2.673265 9.550949 9.133159 10.235944 10.082122 11.314462 8.575335 10.895750 12.613879 11.290588 7.338607 6.073495 4.904207 5.460102 3.668642 2.396862 0.000000 2.389226 4.151471 10.416114 9.926390 11.049769 10.808130 12.058468 9.415284 11.675028 13.303916 11.944395 8.312642 6.990540 6.007449 6.774158 4.675761 3.657961 1.512339 0.000000 8.464361 7.844939 1.098918 2.149506 2.781497 4.189307 5.241295 2.152778 2.147562 5.737842 6.557314 2.721933 3.944695 4.994991 5.042399 6.195455 7.470250 9.795182 10.784257 0.000000 6.861217 6.601133 2.158264 1.096193 2.148784 2.729183 4.161656 2.692235 3.484235 5.088715 5.066626 2.659418 3.075427 3.978779 4.461833 4.832945 6.061819 8.172152 9.026241 2.510664 0.000000 7.719887 7.867613 2.157938 1.099099 2.162822 2.799260 4.262056 2.801691 2.770120 4.738232 5.230610 3.508922 3.907472 5.112648 5.885280 5.789868 7.132597 9.098792 9.739537 3.053429 1.754184 0.000000 9.856199 9.645863 2.854771 2.163677 1.093628 2.161574 2.862574 4.305445 2.831979 2.824930 4.287349 5.107524 5.889027 6.972821 7.332178 7.855336 9.113001 11.173874 11.936353 3.141399 3.056508 2.500717 0.000000 9.222949 8.657734 2.798072 2.158570 1.098476 2.159308 2.797602 4.188961 3.468025 3.439051 4.180461 4.532843 5.361547 6.186969 6.236031 7.189496 8.318014 10.460892 11.394802 2.538221 2.517612 3.065981 1.755988 0.000000 8.869631 8.989888 4.258187 2.802601 2.161063 1.099169 2.159628 5.258438 4.719989 2.788002 2.773707 5.659846 5.905672 6.752063 7.353624 7.267919 8.364016 10.081875 10.666719 4.746117 3.081272 2.603930 2.492076 3.065007 0.000000 8.046319 7.819877 4.164946 2.727472 2.151918 1.097645 2.154792 5.084150 5.091708 3.485570 2.676058 5.056422 5.272183 5.830112 6.171259 6.428303 7.380293 9.176250 9.945073 4.331177 2.448338 3.068797 3.057500 2.525376 1.756238 0.000000 10.375788 9.860377 5.245096 4.187790 2.790114 2.145375 1.098968 6.567885 5.775142 2.145809 2.144353 6.747355 7.300428 7.883824 7.908882 8.669032 9.587432 11.458810 12.317788 5.074006 4.312936 4.746745 3.165143 2.543486 3.051602 2.492565 0.000000 7.799444 7.499759 2.157519 3.477200 4.736340 6.009871 7.313711 1.098237 2.654534 7.745772 8.515589 2.115922 3.202946 4.487845 4.902613 5.558997 6.942222 9.195315 10.057930 2.499940 3.721799 3.758636 4.959913 4.870103 6.219067 6.077793 7.353575 0.000000 6.990858 7.130591 2.174513 2.770974 4.246187 5.224904 6.680355 1.096177 2.795708 7.158173 7.703655 2.141172 2.647021 4.110662 4.990070 4.889774 6.352154 8.437500 9.119448 3.060667 2.987784 2.579893 4.526311 4.739249 5.169073 5.267603 6.956718 1.764127 0.000000 9.449986 9.522040 2.177508 2.806031 3.517629 4.731813 5.860808 2.801832 1.096304 5.776301 7.129966 4.234164 5.077173 6.498383 7.148312 7.356129 8.801111 10.889444 11.539294 3.067307 3.770141 2.574336 3.113978 4.111653 4.627649 5.305615 6.207965 3.026404 2.630830 0.000000 10.277866 10.015314 2.189696 2.830603 2.847888 4.276079 5.075553 3.488915 1.092858 4.878790 6.527257 4.709583 5.779889 7.059738 7.388359 8.090713 9.466721 11.673843 12.473455 2.495529 3.845785 3.149791 2.246656 3.079954 4.511913 4.968350 5.190547 3.663029 3.812844 1.768300 0.000000 9.891892 9.618248 2.180962 3.504792 4.141550 5.607240 6.615865 2.734611 1.094742 6.587980 8.020439 4.094803 5.247259 6.581322 6.918103 7.653140 9.060759 11.307973 12.122953 2.504655 4.316804 3.770595 3.832777 4.293165 5.808352 6.087887 6.681551 2.404489 3.119939 1.770218 1.764301 0.000000 11.451359 11.482651 5.820738 4.715540 3.486294 2.801130 2.177751 7.131052 5.728403 1.096714 2.809936 7.792316 8.274022 9.194425 9.653069 9.810574 10.914633 12.647992 13.224875 6.148428 5.298673 4.629253 3.067079 4.066920 2.585911 3.774649 3.065585 7.901671 7.116467 5.670898 5.058943 6.736695 0.000000 11.629755 11.366301 5.073168 4.294512 2.851905 2.847193 2.194854 6.556261 4.905551 1.093272 3.485146 7.257215 7.988669 8.933969 9.176402 9.764461 10.910046 12.863156 13.607060 5.148037 4.975098 4.561205 2.266391 3.044388 3.191762 3.853942 2.488051 7.179944 6.782003 5.150396 4.044217 5.792034 1.769535 0.000000 12.340415 12.093630 6.612064 5.612747 4.142288 3.505923 2.180261 8.042065 6.606414 1.094992 2.728668 8.573527 9.159556 9.950002 10.164806 10.668024 11.683612 13.472162 14.173200 6.657174 6.085879 5.827135 3.840555 4.279540 3.778730 4.314154 2.511803 8.759021 8.234560 6.800229 5.791910 7.526807 1.769346 1.764330 0.000000 10.295965 10.373189 6.700321 5.252676 4.263909 2.797060 2.178823 7.756897 7.157931 2.787891 1.096500 7.963175 8.095223 8.663250 9.115293 9.035250 9.875246 11.303247 11.827922 6.983371 5.312855 5.188356 4.523679 4.760319 2.596698 3.035378 3.065791 8.726640 7.726792 7.130038 6.750298 8.229950 2.633249 3.815459 3.082742 0.000000 9.566397 9.334984 6.536500 5.126316 4.179485 2.762388 2.186346 7.536067 7.301467 3.482663 1.095018 7.448657 7.563092 7.894106 8.113883 8.319820 9.015015 10.484926 11.173044 6.597429 4.893259 5.362444 4.778542 4.343183 3.122059 2.454955 2.497316 8.514460 7.697831 7.489345 6.959215 8.314998 3.817519 4.344053 3.741844 1.769708 0.000000 11.286554 11.046236 7.326608 6.018461 4.759427 3.486980 2.185120 8.536610 7.794910 2.759837 1.094989 8.675563 8.961009 9.435849 9.625214 9.948494 10.719313 12.237846 12.906236 7.358355 6.059739 6.236435 5.012233 4.879215 3.783929 3.689986 2.495599 9.434814 8.708774 7.980853 7.227454 8.797778 3.161176 3.752417 2.514446 1.768911 1.769681 0.000000 6.371590 5.524740 2.867543 3.518241 4.648552 5.621650 6.870064 2.194688 4.221257 7.745831 7.866598 1.087867 2.107368 2.750647 2.619345 4.083396 5.251487 7.640582 8.754275 2.597723 3.041775 4.189052 5.350696 4.466211 6.102259 5.266875 6.691313 2.523910 3.088043 4.811817 4.931263 4.337175 8.107344 7.383233 8.679060 8.265287 7.566661 8.768893 0.000000 4.595666 4.931692 3.871363 3.838589 5.312787 5.816897 7.331525 2.727517 4.993357 8.199341 8.000775 2.091978 1.088451 2.172276 3.510975 2.568113 4.028779 6.043727 6.747392 4.452523 3.309701 3.694476 5.969134 5.735569 5.765505 5.408722 7.587006 3.468720 2.395839 4.907071 5.894461 5.386305 8.177452 8.085441 9.244544 8.010537 7.683070 9.064885 3.062842 0.000000 4.067643 2.246792 6.305823 6.327773 7.315849 7.673166 8.821048 5.535691 7.775405 10.085118 9.303041 4.039357 3.472851 2.163742 1.085105 2.694894 2.714156 4.861686 6.279031 6.081730 5.372301 6.835444 8.278952 7.114301 8.130565 6.852685 8.592582 5.970398 6.016858 8.213074 8.443238 8.001635 10.459810 10.034844 10.916536 9.710380 8.601164 10.179503 3.690322 4.326845 0.000000 5.148503 3.737451 4.803643 4.800518 5.665679 6.124823 7.231494 4.338967 6.307483 8.448833 7.858751 2.928723 2.822038 2.140424 1.094847 3.239987 3.858506 6.161969 7.471360 4.469856 3.873681 5.469044 6.628894 5.379793 6.692698 5.377909 6.949380 4.873559 4.989331 6.849465 6.864138 6.608188 8.888143 8.342105 9.271828 8.339524 7.249524 8.717048 2.395848 3.828797 1.771911 0.000000 5.163665 3.771867 5.222162 5.642228 6.738293 7.434208 8.643346 4.326966 6.577820 9.728350 9.397271 2.911980 2.811847 2.140813 1.094621 3.251111 3.880454 6.182574 7.484547 4.935193 4.890159 6.214078 7.570146 6.499382 7.915476 6.814720 8.397098 4.522960 4.961304 7.090876 7.309986 6.621506 10.114752 9.493536 10.611866 9.820652 8.867044 10.288915 2.378828 3.823552 1.772406 1.758620 0.000000 2.379259 3.301219 5.968151 5.680388 6.997534 7.145996 8.584807 4.907376 7.193217 9.665066 8.928712 3.906896 2.564008 2.103007 3.501082 1.084623 2.146579 3.832451 4.512947 6.409375 4.890894 5.539382 7.800424 7.368596 7.072659 6.473474 8.830710 5.589074 4.634952 7.105552 8.038508 7.610254 9.635487 9.736911 10.649438 8.903095 8.384845 9.983075 4.555207 2.243794 3.770261 4.122593 4.129632 0.000000 2.078275 2.635742 9.699986 9.173987 10.151297 9.888158 11.021410 8.863644 11.103933 12.386434 10.898876 7.578538 6.368045 5.127432 5.507968 4.002646 2.664460 1.092826 2.171369 9.875419 8.158421 9.208419 11.137653 10.320477 9.946703 8.919079 11.119406 9.547472 8.801486 11.155459 11.807244 11.574313 12.470178 12.694084 13.186053 10.958403 10.027062 11.794680 7.793855 6.434524 4.818296 6.060898 6.337289 4.306269 0.000000 2.078565 2.629341 9.927459 9.656710 10.802679 10.765480 12.011853 8.869538 11.276840 13.311973 12.072240 7.577467 6.367883 5.121003 5.491961 4.002280 2.661475 1.092805 2.171148 10.104351 8.699628 9.688829 11.740724 10.958293 10.827806 9.866479 12.090594 9.383775 8.801293 11.325667 12.089572 11.597543 13.394771 13.498146 14.179828 12.143476 11.266088 13.015925 7.789139 6.441594 4.791151 6.299121 6.072330 4.314068 1.772577 0.000000 2.652303 4.572810 10.435219 10.054382 11.274009 11.135910 12.459905 9.322855 11.617268 13.636175 12.437843 8.297188 6.969614 6.103236 6.980906 4.769795 3.938541 2.160246 1.093268 10.861131 9.221020 9.807187 12.105427 11.662504 10.946685 10.339357 12.753956 9.890880 8.956137 11.425819 12.476631 12.003341 13.514853 13.881831 14.551885 12.285835 11.729905 13.436721 8.807371 6.636777 6.575587 7.772104 7.577674 4.469773 3.079526 2.516202 0.000000 3.343592 4.780401 11.446975 10.942339 12.027706 11.740152 12.943263 10.459482 12.730187 14.224320 12.761676 9.316633 8.008401 6.953438 7.595601 5.651679 4.505295 2.140450 1.093719 11.778234 10.016422 10.781175 12.936853 12.341668 11.618564 10.843138 13.178202 11.093220 10.192707 12.614542 13.516744 13.176264 14.161380 14.558502 15.064067 12.657157 11.947109 13.691731 9.703633 7.812324 6.995108 8.284522 8.300837 5.571085 2.507661 2.507689 1.772993 0.000000 2.651919 4.576675 10.218275 9.590210 10.649590 10.287669 11.505279 9.317020 11.448812 12.731524 11.299152 8.298024 6.969586 6.108568 6.993597 4.769970 3.940564 2.160311 1.093264 10.647776 8.710681 9.331281 11.519644 11.063591 10.073292 9.436855 11.834671 10.046532 8.956039 11.256372 12.202297 11.980615 12.596285 13.098994 13.582499 11.112441 10.542050 12.254034 8.811487 6.629617 6.595584 7.579860 7.792234 4.461936 2.516768 3.079408 1.777309 1.772894 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0298,.8387,-.6266;-4.6742,.3647,1.5469;2.5106,-2.2598,-.1796;2.5875,-.7465,-.4475;3.8507,-.058,.0816;3.8259,1.4594,-.1355;5.0139,2.2286,.47;1.125,-2.8236,-.5833;3.6161,-3.0363,-.9054;6.3551,1.8167,-.1517;4.8015,3.741,.3252;-.0041,-2.2801,.2347;-1.0472,-1.5932,-.259;-2.1543,-1.0399,.5226;-2.1465,-1.2517,2.0114;-3.116,-.364,-.1595;-4.3119,.2868,.3817;-6.2551,1.5318,-.2656;-6.8737,2.0491,-1.545;2.6313,-2.42,.9008;1.7131,-.2626,.003;2.5052,-.5768,-1.5303;4.7347,-.4838,-.4014;3.9515,-.2671,1.1553;3.7812,1.6708,-1.2132;2.8982,1.86,.2931;5.0507,1.9936,1.543;1.1521,-3.9136,-.4522;.9514,-2.6329,-1.6487;3.5479,-2.8854,-1.9891;4.6124,-2.7195,-.5869;3.5345,-4.1106,-.7115;6.3474,1.9883,-1.2348;6.5818,.7607,.0179;7.1782,2.4016,.2716;4.7593,4.0277,-.7323;3.865,4.0602,.7945;5.6178,4.3041,.7894;.0656,-2.4635,1.3047;-1.0874,-1.4152,-1.3321;-3.0139,-.815,2.4955;-1.2427,-.8122,2.4457;-2.1188,-2.3226,2.2362;-3.0182,-.2761,-1.2361;-6.0068,2.3422,.4242;-6.9142,.8294,.2507;-7.1095,1.2272,-2.2262;-7.8014,2.5791,-1.3113;-6.1995,2.744,-2.0528; 0.4351989 0.1048795 0.0906998 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= 598 RedAO= T EigKep= 1.45D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.49D-07 NBFU= 597 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= 592 589 590 592 592 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.627368879773 -816.627368880 1 8.127448730308e+02 -4.625036635007e+03 1.632073997141e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414803940 LenY= 1414422634 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. PT585.400S 2024-09-20T17:36:11.000 -19.16525 -19.11119 -10.30455 -10.22194 -10.20739 -10.17979 -10.17619 -10.17191 -10.16869 -10.16496 -10.16331 -10.15934 -10.15929 -10.15230 -10.15189 -10.15152 -10.14923 -10.14712 -10.14682 -1.10458 -1.01738 -0.83933 -0.81719 -0.80098 -0.78048 -0.76207 -0.73546 -0.71112 -0.68235 -0.67493 -0.66673 -0.64845 -0.60477 -0.59062 -0.56174 -0.55521 -0.54705 -0.53217 -0.50321 -0.49122 -0.48093 -0.47203 -0.46691 -0.45087 -0.43694 -0.43122 -0.43006 -0.42775 -0.41912 -0.41427 -0.41303 -0.39951 -0.39121 -0.38823 -0.37686 -0.37589 -0.37497 -0.37273 -0.36105 -0.35671 -0.35341 -0.35193 -0.34834 -0.34307 -0.33210 -0.32100 -0.31650 -0.31161 -0.31058 -0.30768 -0.30633 -0.29492 -0.28212 -0.23670 -0.06813 0.00658 0.01191 0.01697 0.02021 0.02180 0.02766 0.03276 0.03360 0.03548 0.03919 0.04471 0.04670 0.04953 0.05225 0.05606 0.05955 0.06411 0.06658 0.06808 0.06944 0.07396 0.07496 0.07928 0.08042 0.08712 0.08991 0.09161 0.09426 0.09900 0.10035 0.10501 0.10662 0.10804 0.11607 0.11918 0.11984 0.12362 0.12522 0.12792 0.12850 0.13478 0.14065 0.14191 0.14621 0.15119 0.15184 0.15611 0.15861 0.16459 0.16808 0.17293 0.17428 0.17540 0.17757 0.18433 0.18853 0.19018 0.19430 0.19741 0.19849 0.20135 0.20263 0.20547 0.20740 0.20854 0.21103 0.21194 0.21394 0.21802 0.22019 0.22100 0.22470 0.22882 0.22997 0.23430 0.23781 0.23938 0.24152 0.24384 0.24571 0.25047 0.25348 0.25477 0.25673 0.26018 0.26266 0.26579 0.26862 0.27488 0.27768 0.27845 0.28002 0.28419 0.28650 0.28883 0.29234 0.29784 0.29900 0.30036 0.30276 0.30511 0.31211 0.31495 0.31713 0.32383 0.32833 0.32860 0.33572 0.33901 0.34755 0.35405 0.35833 0.36741 0.37650 0.38111 0.38123 0.38345 0.39292 0.40368 0.40475 0.41463 0.42006 0.42480 0.42567 0.43254 0.44098 0.44398 0.45850 0.46378 0.46568 0.47395 0.48651 0.49368 0.49937 0.50234 0.50886 0.51046 0.51726 0.52135 0.52645 0.53026 0.53502 0.54424 0.55898 0.56068 0.56588 0.56935 0.58129 0.58529 0.58620 0.59854 0.60828 0.61218 0.61524 0.62288 0.62813 0.63135 0.63423 0.64037 0.64796 0.65108 0.65496 0.65593 0.66075 0.66543 0.66690 0.67015 0.67678 0.67992 0.68702 0.69019 0.69403 0.69647 0.70047 0.70514 0.71044 0.71574 0.72058 0.72282 0.72828 0.72948 0.73695 0.74438 0.74495 0.74981 0.75336 0.75483 0.76151 0.76394 0.76882 0.77522 0.77815 0.79081 0.79294 0.79978 0.80402 0.81061 0.81888 0.83016 0.83503 0.83958 0.85333 0.86974 0.88073 0.88970 0.89707 0.91756 0.92831 0.93677 0.95052 0.96224 0.96982 0.98013 0.98170 0.99052 0.99621 1.00128 1.02383 1.02703 1.03478 1.03672 1.06671 1.06989 1.08193 1.08981 1.09629 1.10681 1.11504 1.12574 1.13571 1.15546 1.16027 1.17455 1.18172 1.19229 1.19410 1.20477 1.20950 1.22720 1.25075 1.25419 1.26166 1.27246 1.27838 1.28182 1.32185 1.33536 1.34768 1.39944 1.40233 1.41475 1.42677 1.44039 1.45147 1.46288 1.46477 1.46955 1.47410 1.47602 1.47752 1.48723 1.49158 1.50075 1.50486 1.51608 1.52053 1.53074 1.53927 1.54649 1.55166 1.55555 1.56400 1.56979 1.57237 1.57774 1.58473 1.58717 1.59148 1.59770 1.60228 1.61554 1.61732 1.62076 1.62364 1.63198 1.63415 1.64301 1.64466 1.65555 1.66260 1.66569 1.66627 1.67922 1.68356 1.69175 1.69657 1.70496 1.71046 1.71791 1.72904 1.73789 1.73880 1.74652 1.75470 1.76596 1.76749 1.77157 1.77665 1.78528 1.78932 1.80349 1.80606 1.81142 1.81918 1.82126 1.83063 1.84359 1.85022 1.86887 1.87109 1.87763 1.88876 1.91862 1.92386 1.93290 1.95698 1.96861 1.97539 1.98415 1.99342 2.00002 2.01318 2.02443 2.03562 2.04830 2.06692 2.07658 2.08089 2.09380 2.10026 2.10493 2.12134 2.12282 2.13293 2.13768 2.14864 2.14906 2.16921 2.18072 2.20071 2.20154 2.21548 2.23138 2.24065 2.24806 2.25548 2.28296 2.29807 2.29838 2.30996 2.32675 2.33450 2.35168 2.35882 2.36918 2.37224 2.39257 2.40202 2.41611 2.43812 2.44869 2.45203 2.45827 2.46531 2.46705 2.47879 2.48593 2.50143 2.50292 2.50738 2.51937 2.52408 2.52767 2.53522 2.53635 2.54273 2.55008 2.55238 2.55471 2.56606 2.57687 2.58456 2.58771 2.58938 2.60191 2.60870 2.61014 2.61497 2.62605 2.63152 2.63472 2.63844 2.65344 2.65464 2.66795 2.67433 2.68115 2.70211 2.70576 2.71723 2.72190 2.72950 2.74369 2.75451 2.76677 2.77397 2.77795 2.78815 2.79831 2.80160 2.81670 2.82417 2.83138 2.83558 2.84248 2.85537 2.86106 2.89001 2.90033 2.91191 2.91862 2.93888 2.94792 2.95859 2.97385 2.98299 2.98642 2.99991 3.00806 3.01071 3.01583 3.03723 3.04700 3.05347 3.06235 3.07006 3.10026 3.14650 3.16149 3.16318 3.17992 3.21320 3.22081 3.25076 3.29196 3.33125 3.34458 3.36130 3.39001 3.42368 3.51253 3.54138 3.57860 3.61881 3.65966 3.68006 3.78598 3.79364 3.80464 3.80583 3.80679 3.81073 3.81936 3.82034 3.82112 3.83431 3.84365 3.86093 3.87007 3.87592 3.89372 3.93034 4.00397 4.01427 4.05128 4.07833 4.11765 4.12198 4.21133 4.24632 4.27628 4.31079 4.31299 4.34010 4.41451 4.42970 4.52458 4.98941 5.05716 5.24538 5.36106 5.66485 5.86600 23.67755 23.81377 23.84052 23.84943 23.85409 23.87297 23.90765 23.91568 23.93523 23.95357 23.97733 23.97915 23.98470 23.98633 23.98810 24.16814 24.23989 49.90215 50.02244 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 49 O O 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 H H -0.136187 -0.403280 0.429683 -0.247120 -0.401981 -0.388479 0.280269 -0.667562 -0.724108 -0.600384 -0.655135 0.042251 0.088557 0.710701 -0.893247 -0.392648 -0.126746 0.030316 -0.558935 0.143435 0.159059 0.149579 0.143333 0.142985 0.149377 0.143257 0.132547 0.167982 0.161425 0.154028 0.153895 0.143364 0.144142 0.146849 0.140287 0.143908 0.143007 0.142964 0.160603 0.139923 0.176157 0.175030 0.176650 0.159191 0.173994 0.174050 0.154083 0.164988 0.153945 -0.00000 2.4007 -1.1100 -1.6356 3.1098 -122.1296 -117.7270 -124.4611 -8.2445 12.0861 -2.7613 -0.6904 3.7122 -3.0219 -8.2445 12.0861 -2.7613 -127.9441 -2.0380 -7.1850 -32.8752 48.6195 -56.5457 13.5514 -5.2746 6.7886 9.6017 -12132.2923 -2965.7037 -755.6220 -436.6963 377.2682 -146.2584 -24.2965 40.5031 -14.1261 -2540.9276 -2413.0468 -611.1993 -38.7272 11.1294 9.4647 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 ALCAMI 2024-09-20T00:00:00.000 0 Wavefunction Hydroprene CONF222 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.6273689 RMSD=3.945e-09 Dipole=-1.0305942,0.3597638,0.5525798 Quadrupole=6.2044263,-5.8636228,-0.3408034,4.826726,7.7596249,-2.9980197 PG=C01 [X(C17H30O2)] 0 4.3727421506 -2.1778737398 1.2252410179 0 3.8631229297 -2.771802372 -0.8872638848 0 -3.4545342379 -0.1380718756 0.1156110315 0 -2.5880789013 1.1330228982 0.1514297184 0 -3.1404683984 2.3167478576 -0.6506483822 0 -2.1901544439 3.519699215 -0.6500648046 0 -2.6313720333 4.7052012212 -1.5272911221 0 -2.7253480966 -1.3242244518 0.7952284178 0 -4.8239062197 0.0722286374 0.7732101209 0 -3.9577763708 5.3178638191 -1.0581139929 0 -1.5345149892 5.7769723808 -1.5690904034 0 -1.4786324368 -1.74759054 0.0839611515 0 -0.2487867108 -1.7423916429 0.6234939913 0 0.9855615132 -2.1376027985 -0.0568395921 0 0.891521366 -2.5986601912 -1.485116349 0 2.1392294327 -2.0539382725 0.6566063932 0 3.4966828897 -2.3781803548 0.2108161508 0 5.7742030531 -2.4506076045 0.9541905491 0 6.5430484184 -2.1623256762 2.2242061192 0 -3.6172371434 -0.4085826882 -0.9369918443 0 -1.589020179 0.8910063963 -0.2292913508 0 -2.4498030348 1.4344477316 1.1993045694 0 -4.1121325116 2.6160575616 -0.2477776349 0 -3.3179418529 1.9978443049 -1.6867241144 0 -2.0554659274 3.8749244272 0.3813646107 0 -1.2012234497 3.1857466392 -0.9896480543 0 -2.7744320814 4.3279719642 -2.5495247134 0 -3.4160509672 -2.1777730098 0.8177707254 0 -2.5018318486 -1.0649550643 1.8365850428 0 -4.7083009833 0.3677220035 1.8225915495 0 -5.4021096868 0.8508833643 0.2695074387 0 -5.4176177383 -0.8471927907 0.7481044963 0 -3.8770092539 5.6657029384 -0.0211630502 0 -4.7832686011 4.602763448 -1.1074904153 0 -4.2312786987 6.1787756875 -1.6770114904 0 -1.3547496954 6.1878431162 -0.5685001375 0 -0.587832999 5.3664908467 -1.9356451584 0 -1.8149523576 6.608619645 -2.2238573193 0 -1.6158365013 -2.0646158002 -0.9476030005 0 -0.138167495 -1.411309431 1.654451222 0 1.8569277518 -2.8798019627 -1.89304247 0 0.4650799362 -1.8041391426 -2.1060625091 0 0.2148183326 -3.4560327155 -1.5570995389 0 2.085623613 -1.708838865 1.6834658835 0 6.0994868314 -1.8144590291 0.1272835537 0 5.873318821 -3.4943223726 0.6458745289 0 6.2011613815 -2.8016180885 3.0425294669 0 7.6062800294 -2.3567614253 2.0570104664 0 6.4277026298 -1.1170638503 2.5231211854 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C17H30O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 Hydroprene CONF222 octanol 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 49 16 16 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 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 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 1.0078250 1.0078250 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 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 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 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 617 A 598 A 598 924 617 74 74 1363.6359415781 49 49 49 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 -0.0439961046 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.252807 0.000000 8.164455 7.841582 0.000000 7.782553 7.612132 1.538736 0.000000 8.953710 8.660232 2.590739 1.532863 0.000000 8.891047 8.733924 3.945150 2.548914 1.533033 0.000000 10.198567 9.924398 5.180156 3.947206 2.594685 1.539355 0.000000 7.162158 6.952281 1.549371 2.543892 3.939488 5.083198 6.461958 0.000000 9.478694 9.290326 1.533572 2.551631 3.146300 4.565897 5.618180 2.520816 0.000000 11.436666 11.253371 5.603402 4.566395 3.136992 2.554288 1.534546 7.005076 5.623221 0.000000 10.294831 10.133160 6.443015 5.063245 3.923745 2.523837 1.534124 7.578594 6.989318 2.518744 0.000000 5.977144 5.525092 2.548674 3.087614 4.451988 5.365575 6.750071 1.496476 3.870099 7.574374 7.704203 0.000000 4.680841 4.499986 3.620581 3.736729 5.144111 5.751562 7.202364 2.517481 4.924122 8.150559 7.937340 1.342998 0.000000 3.621926 3.061401 4.872608 4.848843 6.100653 6.514764 7.878350 3.893386 6.270746 9.001284 8.442641 2.498837 1.463783 0.000000 4.431929 3.036087 5.244523 5.358298 6.412060 6.901330 8.109189 4.461603 6.700731 9.293512 8.720317 2.967146 2.545533 1.503793 0.000000 2.308091 2.422947 5.937458 5.723580 6.977609 7.177492 8.556519 4.920956 7.281445 9.718910 8.931589 3.675690 2.408481 1.359027 2.537809 0.000000 1.355234 1.222700 7.303874 7.025411 8.175344 8.238096 9.526194 6.337668 8.692123 10.789265 9.746155 5.016722 3.821397 2.536779 3.116354 1.465108 0.000000 1.453253 2.673265 9.550949 9.133159 10.235944 10.082122 11.314462 8.575335 10.895750 12.613879 11.290588 7.338607 6.073495 4.904207 5.460102 3.668642 2.396862 0.000000 2.389226 4.151471 10.416114 9.926390 11.049769 10.808130 12.058468 9.415284 11.675028 13.303916 11.944395 8.312642 6.990540 6.007449 6.774158 4.675761 3.657961 1.512339 0.000000 8.464361 7.844939 1.098918 2.149506 2.781497 4.189307 5.241295 2.152778 2.147562 5.737842 6.557314 2.721933 3.944695 4.994991 5.042399 6.195455 7.470250 9.795182 10.784257 0.000000 6.861217 6.601133 2.158264 1.096193 2.148784 2.729183 4.161656 2.692235 3.484235 5.088715 5.066626 2.659418 3.075427 3.978779 4.461833 4.832945 6.061819 8.172152 9.026241 2.510664 0.000000 7.719887 7.867613 2.157938 1.099099 2.162822 2.799260 4.262056 2.801691 2.770120 4.738232 5.230610 3.508922 3.907472 5.112648 5.885280 5.789868 7.132597 9.098792 9.739537 3.053429 1.754184 0.000000 9.856199 9.645863 2.854771 2.163677 1.093628 2.161574 2.862574 4.305445 2.831979 2.824930 4.287349 5.107524 5.889027 6.972821 7.332178 7.855336 9.113001 11.173874 11.936353 3.141399 3.056508 2.500717 0.000000 9.222949 8.657734 2.798072 2.158570 1.098476 2.159308 2.797602 4.188961 3.468025 3.439051 4.180461 4.532843 5.361547 6.186969 6.236031 7.189496 8.318014 10.460892 11.394802 2.538221 2.517612 3.065981 1.755988 0.000000 8.869631 8.989888 4.258187 2.802601 2.161063 1.099169 2.159628 5.258438 4.719989 2.788002 2.773707 5.659846 5.905672 6.752063 7.353624 7.267919 8.364016 10.081875 10.666719 4.746117 3.081272 2.603930 2.492076 3.065007 0.000000 8.046319 7.819877 4.164946 2.727472 2.151918 1.097645 2.154792 5.084150 5.091708 3.485570 2.676058 5.056422 5.272183 5.830112 6.171259 6.428303 7.380293 9.176250 9.945073 4.331177 2.448338 3.068797 3.057500 2.525376 1.756238 0.000000 10.375788 9.860377 5.245096 4.187790 2.790114 2.145375 1.098968 6.567885 5.775142 2.145809 2.144353 6.747355 7.300428 7.883824 7.908882 8.669032 9.587432 11.458810 12.317788 5.074006 4.312936 4.746745 3.165143 2.543486 3.051602 2.492565 0.000000 7.799444 7.499759 2.157519 3.477200 4.736340 6.009871 7.313711 1.098237 2.654534 7.745772 8.515589 2.115922 3.202946 4.487845 4.902613 5.558997 6.942222 9.195315 10.057930 2.499940 3.721799 3.758636 4.959913 4.870103 6.219067 6.077793 7.353575 0.000000 6.990858 7.130591 2.174513 2.770974 4.246187 5.224904 6.680355 1.096177 2.795708 7.158173 7.703655 2.141172 2.647021 4.110662 4.990070 4.889774 6.352154 8.437500 9.119448 3.060667 2.987784 2.579893 4.526311 4.739249 5.169073 5.267603 6.956718 1.764127 0.000000 9.449986 9.522040 2.177508 2.806031 3.517629 4.731813 5.860808 2.801832 1.096304 5.776301 7.129966 4.234164 5.077173 6.498383 7.148312 7.356129 8.801111 10.889444 11.539294 3.067307 3.770141 2.574336 3.113978 4.111653 4.627649 5.305615 6.207965 3.026404 2.630830 0.000000 10.277866 10.015314 2.189696 2.830603 2.847888 4.276079 5.075553 3.488915 1.092858 4.878790 6.527257 4.709583 5.779889 7.059738 7.388359 8.090713 9.466721 11.673843 12.473455 2.495529 3.845785 3.149791 2.246656 3.079954 4.511913 4.968350 5.190547 3.663029 3.812844 1.768300 0.000000 9.891892 9.618248 2.180962 3.504792 4.141550 5.607240 6.615865 2.734611 1.094742 6.587980 8.020439 4.094803 5.247259 6.581322 6.918103 7.653140 9.060759 11.307973 12.122953 2.504655 4.316804 3.770595 3.832777 4.293165 5.808352 6.087887 6.681551 2.404489 3.119939 1.770218 1.764301 0.000000 11.451359 11.482651 5.820738 4.715540 3.486294 2.801130 2.177751 7.131052 5.728403 1.096714 2.809936 7.792316 8.274022 9.194425 9.653069 9.810574 10.914633 12.647992 13.224875 6.148428 5.298673 4.629253 3.067079 4.066920 2.585911 3.774649 3.065585 7.901671 7.116467 5.670898 5.058943 6.736695 0.000000 11.629755 11.366301 5.073168 4.294512 2.851905 2.847193 2.194854 6.556261 4.905551 1.093272 3.485146 7.257215 7.988669 8.933969 9.176402 9.764461 10.910046 12.863156 13.607060 5.148037 4.975098 4.561205 2.266391 3.044388 3.191762 3.853942 2.488051 7.179944 6.782003 5.150396 4.044217 5.792034 1.769535 0.000000 12.340415 12.093630 6.612064 5.612747 4.142288 3.505923 2.180261 8.042065 6.606414 1.094992 2.728668 8.573527 9.159556 9.950002 10.164806 10.668024 11.683612 13.472162 14.173200 6.657174 6.085879 5.827135 3.840555 4.279540 3.778730 4.314154 2.511803 8.759021 8.234560 6.800229 5.791910 7.526807 1.769346 1.764330 0.000000 10.295965 10.373189 6.700321 5.252676 4.263909 2.797060 2.178823 7.756897 7.157931 2.787891 1.096500 7.963175 8.095223 8.663250 9.115293 9.035250 9.875246 11.303247 11.827922 6.983371 5.312855 5.188356 4.523679 4.760319 2.596698 3.035378 3.065791 8.726640 7.726792 7.130038 6.750298 8.229950 2.633249 3.815459 3.082742 0.000000 9.566397 9.334984 6.536500 5.126316 4.179485 2.762388 2.186346 7.536067 7.301467 3.482663 1.095018 7.448657 7.563092 7.894106 8.113883 8.319820 9.015015 10.484926 11.173044 6.597429 4.893259 5.362444 4.778542 4.343183 3.122059 2.454955 2.497316 8.514460 7.697831 7.489345 6.959215 8.314998 3.817519 4.344053 3.741844 1.769708 0.000000 11.286554 11.046236 7.326608 6.018461 4.759427 3.486980 2.185120 8.536610 7.794910 2.759837 1.094989 8.675563 8.961009 9.435849 9.625214 9.948494 10.719313 12.237846 12.906236 7.358355 6.059739 6.236435 5.012233 4.879215 3.783929 3.689986 2.495599 9.434814 8.708774 7.980853 7.227454 8.797778 3.161176 3.752417 2.514446 1.768911 1.769681 0.000000 6.371590 5.524740 2.867543 3.518241 4.648552 5.621650 6.870064 2.194688 4.221257 7.745831 7.866598 1.087867 2.107368 2.750647 2.619345 4.083396 5.251487 7.640582 8.754275 2.597723 3.041775 4.189052 5.350696 4.466211 6.102259 5.266875 6.691313 2.523910 3.088043 4.811817 4.931263 4.337175 8.107344 7.383233 8.679060 8.265287 7.566661 8.768893 0.000000 4.595666 4.931692 3.871363 3.838589 5.312787 5.816897 7.331525 2.727517 4.993357 8.199341 8.000775 2.091978 1.088451 2.172276 3.510975 2.568113 4.028779 6.043727 6.747392 4.452523 3.309701 3.694476 5.969134 5.735569 5.765505 5.408722 7.587006 3.468720 2.395839 4.907071 5.894461 5.386305 8.177452 8.085441 9.244544 8.010537 7.683070 9.064885 3.062842 0.000000 4.067643 2.246792 6.305823 6.327773 7.315849 7.673166 8.821048 5.535691 7.775405 10.085118 9.303041 4.039357 3.472851 2.163742 1.085105 2.694894 2.714156 4.861686 6.279031 6.081730 5.372301 6.835444 8.278952 7.114301 8.130565 6.852685 8.592582 5.970398 6.016858 8.213074 8.443238 8.001635 10.459810 10.034844 10.916536 9.710380 8.601164 10.179503 3.690322 4.326845 0.000000 5.148503 3.737451 4.803643 4.800518 5.665679 6.124823 7.231494 4.338967 6.307483 8.448833 7.858751 2.928723 2.822038 2.140424 1.094847 3.239987 3.858506 6.161969 7.471360 4.469856 3.873681 5.469044 6.628894 5.379793 6.692698 5.377909 6.949380 4.873559 4.989331 6.849465 6.864138 6.608188 8.888143 8.342105 9.271828 8.339524 7.249524 8.717048 2.395848 3.828797 1.771911 0.000000 5.163665 3.771867 5.222162 5.642228 6.738293 7.434208 8.643346 4.326966 6.577820 9.728350 9.397271 2.911980 2.811847 2.140813 1.094621 3.251111 3.880454 6.182574 7.484547 4.935193 4.890159 6.214078 7.570146 6.499382 7.915476 6.814720 8.397098 4.522960 4.961304 7.090876 7.309986 6.621506 10.114752 9.493536 10.611866 9.820652 8.867044 10.288915 2.378828 3.823552 1.772406 1.758620 0.000000 2.379259 3.301219 5.968151 5.680388 6.997534 7.145996 8.584807 4.907376 7.193217 9.665066 8.928712 3.906896 2.564008 2.103007 3.501082 1.084623 2.146579 3.832451 4.512947 6.409375 4.890894 5.539382 7.800424 7.368596 7.072659 6.473474 8.830710 5.589074 4.634952 7.105552 8.038508 7.610254 9.635487 9.736911 10.649438 8.903095 8.384845 9.983075 4.555207 2.243794 3.770261 4.122593 4.129632 0.000000 2.078275 2.635742 9.699986 9.173987 10.151297 9.888158 11.021410 8.863644 11.103933 12.386434 10.898876 7.578538 6.368045 5.127432 5.507968 4.002646 2.664460 1.092826 2.171369 9.875419 8.158421 9.208419 11.137653 10.320477 9.946703 8.919079 11.119406 9.547472 8.801486 11.155459 11.807244 11.574313 12.470178 12.694084 13.186053 10.958403 10.027062 11.794680 7.793855 6.434524 4.818296 6.060898 6.337289 4.306269 0.000000 2.078565 2.629341 9.927459 9.656710 10.802679 10.765480 12.011853 8.869538 11.276840 13.311973 12.072240 7.577467 6.367883 5.121003 5.491961 4.002280 2.661475 1.092805 2.171148 10.104351 8.699628 9.688829 11.740724 10.958293 10.827806 9.866479 12.090594 9.383775 8.801293 11.325667 12.089572 11.597543 13.394771 13.498146 14.179828 12.143476 11.266088 13.015925 7.789139 6.441594 4.791151 6.299121 6.072330 4.314068 1.772577 0.000000 2.652303 4.572810 10.435219 10.054382 11.274009 11.135910 12.459905 9.322855 11.617268 13.636175 12.437843 8.297188 6.969614 6.103236 6.980906 4.769795 3.938541 2.160246 1.093268 10.861131 9.221020 9.807187 12.105427 11.662504 10.946685 10.339357 12.753956 9.890880 8.956137 11.425819 12.476631 12.003341 13.514853 13.881831 14.551885 12.285835 11.729905 13.436721 8.807371 6.636777 6.575587 7.772104 7.577674 4.469773 3.079526 2.516202 0.000000 3.343592 4.780401 11.446975 10.942339 12.027706 11.740152 12.943263 10.459482 12.730187 14.224320 12.761676 9.316633 8.008401 6.953438 7.595601 5.651679 4.505295 2.140450 1.093719 11.778234 10.016422 10.781175 12.936853 12.341668 11.618564 10.843138 13.178202 11.093220 10.192707 12.614542 13.516744 13.176264 14.161380 14.558502 15.064067 12.657157 11.947109 13.691731 9.703633 7.812324 6.995108 8.284522 8.300837 5.571085 2.507661 2.507689 1.772993 0.000000 2.651919 4.576675 10.218275 9.590210 10.649590 10.287669 11.505279 9.317020 11.448812 12.731524 11.299152 8.298024 6.969586 6.108568 6.993597 4.769970 3.940564 2.160311 1.093264 10.647776 8.710681 9.331281 11.519644 11.063591 10.073292 9.436855 11.834671 10.046532 8.956039 11.256372 12.202297 11.980615 12.596285 13.098994 13.582499 11.112441 10.542050 12.254034 8.811487 6.629617 6.595584 7.579860 7.792234 4.461936 2.516768 3.079408 1.777309 1.772894 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0298,.8387,-.6266;-4.6742,.3647,1.5469;2.5106,-2.2598,-.1796;2.5875,-.7465,-.4475;3.8507,-.058,.0816;3.8259,1.4594,-.1355;5.0139,2.2286,.47;1.125,-2.8236,-.5833;3.6161,-3.0363,-.9054;6.3551,1.8167,-.1517;4.8015,3.741,.3252;-.0041,-2.2801,.2347;-1.0472,-1.5932,-.259;-2.1543,-1.0399,.5226;-2.1465,-1.2517,2.0114;-3.116,-.364,-.1595;-4.3119,.2868,.3817;-6.2551,1.5318,-.2656;-6.8737,2.0491,-1.545;2.6313,-2.42,.9008;1.7131,-.2626,.003;2.5052,-.5768,-1.5303;4.7347,-.4838,-.4014;3.9515,-.2671,1.1553;3.7812,1.6708,-1.2132;2.8982,1.86,.2931;5.0507,1.9936,1.543;1.1521,-3.9136,-.4522;.9514,-2.6329,-1.6487;3.5479,-2.8854,-1.9891;4.6124,-2.7195,-.5869;3.5345,-4.1106,-.7115;6.3474,1.9883,-1.2348;6.5818,.7607,.0179;7.1782,2.4016,.2716;4.7593,4.0277,-.7323;3.865,4.0602,.7945;5.6178,4.3041,.7894;.0656,-2.4635,1.3047;-1.0874,-1.4152,-1.3321;-3.0139,-.815,2.4955;-1.2427,-.8122,2.4457;-2.1188,-2.3226,2.2362;-3.0182,-.2761,-1.2361;-6.0068,2.3422,.4242;-6.9142,.8294,.2507;-7.1095,1.2272,-2.2262;-7.8014,2.5791,-1.3113;-6.1995,2.744,-2.0528; 0.4351989 0.1048795 0.0906998 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= 598 RedAO= T EigKep= 1.45D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.49D-07 NBFU= 597 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= 592 589 590 592 592 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.627368879773 -816.627368880 1 8.127448730308e+02 -4.625036635007e+03 1.632073997141e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414803940 LenY= 1414422634 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 4.3095 287.70 1.0296 0.000 74 75 0.70055 -816.468999234 2 Singlet-A 4.5871 270.29 0.0004 0.000 73 75 0.69711 3 Singlet-A 5.6727 218.56 0.0648 0.000 72 75 0.69040 4 Singlet-A 5.8798 210.86 0.0012 0.000 74 76 0.65921 74 77 0.17317 74 80 -0.12775 5 Singlet-A 5.9103 209.78 0.0065 0.000 66 75 0.21412 69 75 0.11613 70 75 0.25224 71 75 0.59104 6 Singlet-A 5.9398 208.74 0.0726 0.000 68 75 0.10593 70 75 0.61266 71 75 -0.26617 74 81 0.10773 7 Singlet-A 6.0126 206.21 0.0037 0.000 68 75 0.37243 69 75 0.52404 70 75 -0.18590 74 81 0.15184 8 Singlet-A 6.1142 202.78 0.0014 0.000 65 75 -0.12207 67 75 0.52754 68 75 0.36713 69 75 -0.23317 9 Singlet-A 6.2068 199.76 0.0017 0.000 68 75 0.11213 69 75 -0.15007 74 76 -0.10988 74 77 0.48154 74 78 -0.32363 74 79 -0.26543 10 Singlet-A 6.2306 198.99 0.0003 0.000 63 75 -0.11714 64 75 0.10424 65 75 0.23351 66 75 0.12384 67 75 -0.34004 68 75 0.39272 69 75 -0.28253 74 77 -0.15099 PT22196.100S 2024-09-20T18:22:38.000 -19.16525 -19.11119 -10.30455 -10.22194 -10.20739 -10.17979 -10.17619 -10.17191 -10.16869 -10.16496 -10.16331 -10.15934 -10.15929 -10.15230 -10.15189 -10.15152 -10.14923 -10.14712 -10.14682 -1.10458 -1.01738 -0.83933 -0.81719 -0.80098 -0.78048 -0.76207 -0.73546 -0.71112 -0.68235 -0.67493 -0.66673 -0.64845 -0.60477 -0.59062 -0.56174 -0.55521 -0.54705 -0.53217 -0.50321 -0.49122 -0.48093 -0.47203 -0.46691 -0.45087 -0.43694 -0.43122 -0.43006 -0.42775 -0.41912 -0.41427 -0.41303 -0.39951 -0.39121 -0.38823 -0.37686 -0.37589 -0.37497 -0.37273 -0.36105 -0.35671 -0.35341 -0.35193 -0.34834 -0.34307 -0.33210 -0.32100 -0.31650 -0.31161 -0.31058 -0.30768 -0.30633 -0.29492 -0.28212 -0.23670 -0.06813 0.00658 0.01191 0.01697 0.02021 0.02180 0.02766 0.03276 0.03360 0.03548 0.03919 0.04471 0.04670 0.04953 0.05225 0.05606 0.05955 0.06411 0.06658 0.06808 0.06944 0.07396 0.07496 0.07928 0.08042 0.08712 0.08991 0.09161 0.09426 0.09900 0.10035 0.10501 0.10662 0.10804 0.11607 0.11918 0.11984 0.12362 0.12522 0.12792 0.12850 0.13478 0.14065 0.14191 0.14621 0.15119 0.15184 0.15611 0.15861 0.16459 0.16808 0.17293 0.17428 0.17540 0.17757 0.18433 0.18853 0.19018 0.19430 0.19741 0.19849 0.20135 0.20263 0.20547 0.20740 0.20854 0.21103 0.21194 0.21394 0.21802 0.22019 0.22100 0.22470 0.22882 0.22997 0.23430 0.23781 0.23938 0.24152 0.24384 0.24571 0.25047 0.25348 0.25477 0.25673 0.26018 0.26266 0.26579 0.26862 0.27488 0.27768 0.27845 0.28002 0.28419 0.28650 0.28883 0.29234 0.29784 0.29900 0.30036 0.30276 0.30511 0.31211 0.31495 0.31713 0.32383 0.32833 0.32860 0.33572 0.33901 0.34755 0.35405 0.35833 0.36741 0.37650 0.38111 0.38123 0.38345 0.39292 0.40368 0.40475 0.41463 0.42006 0.42480 0.42567 0.43254 0.44098 0.44398 0.45850 0.46378 0.46568 0.47395 0.48651 0.49368 0.49937 0.50234 0.50886 0.51046 0.51726 0.52135 0.52645 0.53026 0.53502 0.54424 0.55898 0.56068 0.56588 0.56935 0.58129 0.58529 0.58620 0.59854 0.60828 0.61218 0.61524 0.62288 0.62813 0.63135 0.63423 0.64037 0.64796 0.65108 0.65496 0.65593 0.66075 0.66543 0.66690 0.67015 0.67678 0.67992 0.68702 0.69019 0.69403 0.69647 0.70047 0.70514 0.71044 0.71574 0.72058 0.72282 0.72828 0.72948 0.73695 0.74438 0.74495 0.74981 0.75336 0.75483 0.76151 0.76394 0.76882 0.77522 0.77815 0.79081 0.79294 0.79978 0.80402 0.81061 0.81888 0.83016 0.83503 0.83958 0.85333 0.86974 0.88073 0.88970 0.89707 0.91756 0.92831 0.93677 0.95052 0.96224 0.96982 0.98013 0.98170 0.99052 0.99621 1.00128 1.02383 1.02703 1.03478 1.03672 1.06671 1.06989 1.08193 1.08981 1.09629 1.10681 1.11504 1.12574 1.13571 1.15546 1.16027 1.17455 1.18172 1.19229 1.19410 1.20477 1.20950 1.22720 1.25075 1.25419 1.26166 1.27246 1.27838 1.28182 1.32185 1.33536 1.34768 1.39944 1.40233 1.41475 1.42677 1.44039 1.45147 1.46288 1.46477 1.46955 1.47410 1.47602 1.47752 1.48723 1.49158 1.50075 1.50486 1.51608 1.52053 1.53074 1.53927 1.54649 1.55166 1.55555 1.56400 1.56979 1.57237 1.57774 1.58473 1.58717 1.59148 1.59770 1.60228 1.61554 1.61732 1.62076 1.62364 1.63198 1.63415 1.64301 1.64466 1.65555 1.66260 1.66569 1.66627 1.67922 1.68356 1.69175 1.69657 1.70496 1.71046 1.71791 1.72904 1.73789 1.73880 1.74652 1.75470 1.76596 1.76749 1.77157 1.77665 1.78528 1.78932 1.80349 1.80606 1.81142 1.81918 1.82126 1.83063 1.84359 1.85022 1.86887 1.87109 1.87763 1.88876 1.91862 1.92386 1.93290 1.95698 1.96861 1.97539 1.98415 1.99342 2.00002 2.01318 2.02443 2.03562 2.04830 2.06692 2.07658 2.08089 2.09380 2.10026 2.10493 2.12134 2.12282 2.13293 2.13768 2.14864 2.14906 2.16921 2.18072 2.20071 2.20154 2.21548 2.23138 2.24065 2.24806 2.25548 2.28296 2.29807 2.29838 2.30996 2.32675 2.33450 2.35168 2.35882 2.36918 2.37224 2.39257 2.40202 2.41611 2.43812 2.44869 2.45203 2.45827 2.46531 2.46705 2.47879 2.48593 2.50143 2.50292 2.50738 2.51937 2.52408 2.52767 2.53522 2.53635 2.54273 2.55008 2.55238 2.55471 2.56606 2.57687 2.58456 2.58771 2.58938 2.60191 2.60870 2.61014 2.61497 2.62605 2.63152 2.63472 2.63844 2.65344 2.65464 2.66795 2.67433 2.68115 2.70211 2.70576 2.71723 2.72190 2.72950 2.74369 2.75451 2.76677 2.77397 2.77795 2.78815 2.79831 2.80160 2.81670 2.82417 2.83138 2.83558 2.84248 2.85537 2.86106 2.89001 2.90033 2.91191 2.91862 2.93888 2.94792 2.95859 2.97385 2.98299 2.98642 2.99991 3.00806 3.01071 3.01583 3.03723 3.04700 3.05347 3.06235 3.07006 3.10026 3.14650 3.16149 3.16318 3.17992 3.21320 3.22081 3.25076 3.29196 3.33125 3.34458 3.36130 3.39001 3.42368 3.51253 3.54138 3.57860 3.61881 3.65966 3.68006 3.78598 3.79364 3.80464 3.80583 3.80679 3.81073 3.81936 3.82034 3.82112 3.83431 3.84365 3.86093 3.87007 3.87592 3.89372 3.93034 4.00397 4.01427 4.05128 4.07833 4.11765 4.12198 4.21133 4.24632 4.27628 4.31079 4.31299 4.34010 4.41451 4.42970 4.52458 4.98941 5.05716 5.24538 5.36106 5.66485 5.86600 23.67755 23.81377 23.84052 23.84943 23.85409 23.87297 23.90765 23.91568 23.93523 23.95357 23.97733 23.97915 23.98470 23.98633 23.98810 24.16814 24.23989 49.90215 50.02244 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 49 O O 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 H H -0.136187 -0.403280 0.429683 -0.247120 -0.401982 -0.388479 0.280269 -0.667562 -0.724108 -0.600384 -0.655135 0.042251 0.088557 0.710701 -0.893247 -0.392648 -0.126746 0.030316 -0.558935 0.143435 0.159059 0.149579 0.143333 0.142985 0.149377 0.143257 0.132547 0.167982 0.161425 0.154028 0.153895 0.143364 0.144142 0.146849 0.140287 0.143908 0.143007 0.142964 0.160603 0.139923 0.176157 0.175030 0.176650 0.159191 0.173994 0.174050 0.154083 0.164988 0.153945 -0.00000 2.4007 -1.1100 -1.6356 3.1098 -122.1296 -117.7270 -124.4611 -8.2445 12.0861 -2.7613 -0.6904 3.7122 -3.0219 -8.2445 12.0861 -2.7613 -127.9441 -2.0380 -7.1850 -32.8752 48.6195 -56.5457 13.5514 -5.2746 6.7886 9.6017 -12132.2923 -2965.7037 -755.6220 -436.6963 377.2682 -146.2584 -24.2965 40.5031 -14.1261 -2540.9276 -2413.0468 -611.1993 -38.7272 11.1294 9.4647 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 ALCAMI 2024-09-20T00:00:00.000 0 Electronic spectrum Hydroprene CONF222 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.6273689 RMSD=3.963e-09 PG=C01 [X(C17H30O2)] 0 4.3727421506 -2.1778737398 1.2252410179 0 3.8631229297 -2.771802372 -0.8872638848 0 -3.4545342379 -0.1380718756 0.1156110315 0 -2.5880789013 1.1330228982 0.1514297184 0 -3.1404683984 2.3167478576 -0.6506483822 0 -2.1901544439 3.519699215 -0.6500648046 0 -2.6313720333 4.7052012212 -1.5272911221 0 -2.7253480966 -1.3242244518 0.7952284178 0 -4.8239062197 0.0722286374 0.7732101209 0 -3.9577763708 5.3178638191 -1.0581139929 0 -1.5345149892 5.7769723808 -1.5690904034 0 -1.4786324368 -1.74759054 0.0839611515 0 -0.2487867108 -1.7423916429 0.6234939913 0 0.9855615132 -2.1376027985 -0.0568395921 0 0.891521366 -2.5986601912 -1.485116349 0 2.1392294327 -2.0539382725 0.6566063932 0 3.4966828897 -2.3781803548 0.2108161508 0 5.7742030531 -2.4506076045 0.9541905491 0 6.5430484184 -2.1623256762 2.2242061192 0 -3.6172371434 -0.4085826882 -0.9369918443 0 -1.589020179 0.8910063963 -0.2292913508 0 -2.4498030348 1.4344477316 1.1993045694 0 -4.1121325116 2.6160575616 -0.2477776349 0 -3.3179418529 1.9978443049 -1.6867241144 0 -2.0554659274 3.8749244272 0.3813646107 0 -1.2012234497 3.1857466392 -0.9896480543 0 -2.7744320814 4.3279719642 -2.5495247134 0 -3.4160509672 -2.1777730098 0.8177707254 0 -2.5018318486 -1.0649550643 1.8365850428 0 -4.7083009833 0.3677220035 1.8225915495 0 -5.4021096868 0.8508833643 0.2695074387 0 -5.4176177383 -0.8471927907 0.7481044963 0 -3.8770092539 5.6657029384 -0.0211630502 0 -4.7832686011 4.602763448 -1.1074904153 0 -4.2312786987 6.1787756875 -1.6770114904 0 -1.3547496954 6.1878431162 -0.5685001375 0 -0.587832999 5.3664908467 -1.9356451584 0 -1.8149523576 6.608619645 -2.2238573193 0 -1.6158365013 -2.0646158002 -0.9476030005 0 -0.138167495 -1.411309431 1.654451222 0 1.8569277518 -2.8798019627 -1.89304247 0 0.4650799362 -1.8041391426 -2.1060625091 0 0.2148183326 -3.4560327155 -1.5570995389 0 2.085623613 -1.708838865 1.6834658835 0 6.0994868314 -1.8144590291 0.1272835537 0 5.873318821 -3.4943223726 0.6458745289 0 6.2011613815 -2.8016180885 3.0425294669 0 7.6062800294 -2.3567614253 2.0570104664 0 6.4277026298 -1.1170638503 2.5231211854 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C17H30O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.3727,-2.1779,1.2252;3.8631,-2.7718,-.8873;-3.4545,-.1381,.1156;-2.5881,1.133,.1514;-3.1405,2.3167,-.6506;-2.1902,3.5197,-.6501;-2.6314,4.7052,-1.5273;-2.7253,-1.3242,.7952;-4.8239,.0722,.7732;-3.9578,5.3179,-1.0581;-1.5345,5.777,-1.5691;-1.4786,-1.7476,.084;-.2488,-1.7424,.6235;.9856,-2.1376,-.0568;.8915,-2.5987,-1.4851;2.1392,-2.0539,.6566;3.4967,-2.3782,.2108;5.7742,-2.4506,.9542;6.543,-2.1623,2.2242;-3.6172,-.4086,-.937;-1.589,.891,-.2293;-2.4498,1.4344,1.1993;-4.1121,2.6161,-.2478;-3.3179,1.9978,-1.6867;-2.0555,3.8749,.3814;-1.2012,3.1857,-.9896;-2.7744,4.328,-2.5495;-3.4161,-2.1778,.8178;-2.5018,-1.065,1.8366;-4.7083,.3677,1.8226;-5.4021,.8509,.2695;-5.4176,-.8472,.7481;-3.877,5.6657,-.0212;-4.7833,4.6028,-1.1075;-4.2313,6.1788,-1.677;-1.3547,6.1878,-.5685;-.5878,5.3665,-1.9356;-1.815,6.6086,-2.2239;-1.6158,-2.0646,-.9476;-.1382,-1.4113,1.6545;1.8569,-2.8798,-1.893;.4651,-1.8041,-2.1061;.2148,-3.456,-1.5571;2.0856,-1.7088,1.6835;6.0995,-1.8145,.1273;5.8733,-3.4943,.6459;6.2012,-2.8016,3.0425;7.6063,-2.3568,2.057;6.4277,-1.1171,2.5231; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Hydroprene CONF222 octanol 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 49 16 16 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 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 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 1.0078250 1.0078250 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 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 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 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 1125 A 1011 A 1011 1432 1125 74 74 1363.6359415781 49 49 49 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 -0.0439961046 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.252807 0.000000 8.164455 7.841582 0.000000 7.782553 7.612132 1.538736 0.000000 8.953710 8.660232 2.590739 1.532863 0.000000 8.891047 8.733924 3.945150 2.548914 1.533033 0.000000 10.198567 9.924398 5.180156 3.947206 2.594685 1.539355 0.000000 7.162158 6.952281 1.549371 2.543892 3.939488 5.083198 6.461958 0.000000 9.478694 9.290326 1.533572 2.551631 3.146300 4.565897 5.618180 2.520816 0.000000 11.436666 11.253371 5.603402 4.566395 3.136992 2.554288 1.534546 7.005076 5.623221 0.000000 10.294831 10.133160 6.443015 5.063245 3.923745 2.523837 1.534124 7.578594 6.989318 2.518744 0.000000 5.977144 5.525092 2.548674 3.087614 4.451988 5.365575 6.750071 1.496476 3.870099 7.574374 7.704203 0.000000 4.680841 4.499986 3.620581 3.736729 5.144111 5.751562 7.202364 2.517481 4.924122 8.150559 7.937340 1.342998 0.000000 3.621926 3.061401 4.872608 4.848843 6.100653 6.514764 7.878350 3.893386 6.270746 9.001284 8.442641 2.498837 1.463783 0.000000 4.431929 3.036087 5.244523 5.358298 6.412060 6.901330 8.109189 4.461603 6.700731 9.293512 8.720317 2.967146 2.545533 1.503793 0.000000 2.308091 2.422947 5.937458 5.723580 6.977609 7.177492 8.556519 4.920956 7.281445 9.718910 8.931589 3.675690 2.408481 1.359027 2.537809 0.000000 1.355234 1.222700 7.303874 7.025411 8.175344 8.238096 9.526194 6.337668 8.692123 10.789265 9.746155 5.016722 3.821397 2.536779 3.116354 1.465108 0.000000 1.453253 2.673265 9.550949 9.133159 10.235944 10.082122 11.314462 8.575335 10.895750 12.613879 11.290588 7.338607 6.073495 4.904207 5.460102 3.668642 2.396862 0.000000 2.389226 4.151471 10.416114 9.926390 11.049769 10.808130 12.058468 9.415284 11.675028 13.303916 11.944395 8.312642 6.990540 6.007449 6.774158 4.675761 3.657961 1.512339 0.000000 8.464361 7.844939 1.098918 2.149506 2.781497 4.189307 5.241295 2.152778 2.147562 5.737842 6.557314 2.721933 3.944695 4.994991 5.042399 6.195455 7.470250 9.795182 10.784257 0.000000 6.861217 6.601133 2.158264 1.096193 2.148784 2.729183 4.161656 2.692235 3.484235 5.088715 5.066626 2.659418 3.075427 3.978779 4.461833 4.832945 6.061819 8.172152 9.026241 2.510664 0.000000 7.719887 7.867613 2.157938 1.099099 2.162822 2.799260 4.262056 2.801691 2.770120 4.738232 5.230610 3.508922 3.907472 5.112648 5.885280 5.789868 7.132597 9.098792 9.739537 3.053429 1.754184 0.000000 9.856199 9.645863 2.854771 2.163677 1.093628 2.161574 2.862574 4.305445 2.831979 2.824930 4.287349 5.107524 5.889027 6.972821 7.332178 7.855336 9.113001 11.173874 11.936353 3.141399 3.056508 2.500717 0.000000 9.222949 8.657734 2.798072 2.158570 1.098476 2.159308 2.797602 4.188961 3.468025 3.439051 4.180461 4.532843 5.361547 6.186969 6.236031 7.189496 8.318014 10.460892 11.394802 2.538221 2.517612 3.065981 1.755988 0.000000 8.869631 8.989888 4.258187 2.802601 2.161063 1.099169 2.159628 5.258438 4.719989 2.788002 2.773707 5.659846 5.905672 6.752063 7.353624 7.267919 8.364016 10.081875 10.666719 4.746117 3.081272 2.603930 2.492076 3.065007 0.000000 8.046319 7.819877 4.164946 2.727472 2.151918 1.097645 2.154792 5.084150 5.091708 3.485570 2.676058 5.056422 5.272183 5.830112 6.171259 6.428303 7.380293 9.176250 9.945073 4.331177 2.448338 3.068797 3.057500 2.525376 1.756238 0.000000 10.375788 9.860377 5.245096 4.187790 2.790114 2.145375 1.098968 6.567885 5.775142 2.145809 2.144353 6.747355 7.300428 7.883824 7.908882 8.669032 9.587432 11.458810 12.317788 5.074006 4.312936 4.746745 3.165143 2.543486 3.051602 2.492565 0.000000 7.799444 7.499759 2.157519 3.477200 4.736340 6.009871 7.313711 1.098237 2.654534 7.745772 8.515589 2.115922 3.202946 4.487845 4.902613 5.558997 6.942222 9.195315 10.057930 2.499940 3.721799 3.758636 4.959913 4.870103 6.219067 6.077793 7.353575 0.000000 6.990858 7.130591 2.174513 2.770974 4.246187 5.224904 6.680355 1.096177 2.795708 7.158173 7.703655 2.141172 2.647021 4.110662 4.990070 4.889774 6.352154 8.437500 9.119448 3.060667 2.987784 2.579893 4.526311 4.739249 5.169073 5.267603 6.956718 1.764127 0.000000 9.449986 9.522040 2.177508 2.806031 3.517629 4.731813 5.860808 2.801832 1.096304 5.776301 7.129966 4.234164 5.077173 6.498383 7.148312 7.356129 8.801111 10.889444 11.539294 3.067307 3.770141 2.574336 3.113978 4.111653 4.627649 5.305615 6.207965 3.026404 2.630830 0.000000 10.277866 10.015314 2.189696 2.830603 2.847888 4.276079 5.075553 3.488915 1.092858 4.878790 6.527257 4.709583 5.779889 7.059738 7.388359 8.090713 9.466721 11.673843 12.473455 2.495529 3.845785 3.149791 2.246656 3.079954 4.511913 4.968350 5.190547 3.663029 3.812844 1.768300 0.000000 9.891892 9.618248 2.180962 3.504792 4.141550 5.607240 6.615865 2.734611 1.094742 6.587980 8.020439 4.094803 5.247259 6.581322 6.918103 7.653140 9.060759 11.307973 12.122953 2.504655 4.316804 3.770595 3.832777 4.293165 5.808352 6.087887 6.681551 2.404489 3.119939 1.770218 1.764301 0.000000 11.451359 11.482651 5.820738 4.715540 3.486294 2.801130 2.177751 7.131052 5.728403 1.096714 2.809936 7.792316 8.274022 9.194425 9.653069 9.810574 10.914633 12.647992 13.224875 6.148428 5.298673 4.629253 3.067079 4.066920 2.585911 3.774649 3.065585 7.901671 7.116467 5.670898 5.058943 6.736695 0.000000 11.629755 11.366301 5.073168 4.294512 2.851905 2.847193 2.194854 6.556261 4.905551 1.093272 3.485146 7.257215 7.988669 8.933969 9.176402 9.764461 10.910046 12.863156 13.607060 5.148037 4.975098 4.561205 2.266391 3.044388 3.191762 3.853942 2.488051 7.179944 6.782003 5.150396 4.044217 5.792034 1.769535 0.000000 12.340415 12.093630 6.612064 5.612747 4.142288 3.505923 2.180261 8.042065 6.606414 1.094992 2.728668 8.573527 9.159556 9.950002 10.164806 10.668024 11.683612 13.472162 14.173200 6.657174 6.085879 5.827135 3.840555 4.279540 3.778730 4.314154 2.511803 8.759021 8.234560 6.800229 5.791910 7.526807 1.769346 1.764330 0.000000 10.295965 10.373189 6.700321 5.252676 4.263909 2.797060 2.178823 7.756897 7.157931 2.787891 1.096500 7.963175 8.095223 8.663250 9.115293 9.035250 9.875246 11.303247 11.827922 6.983371 5.312855 5.188356 4.523679 4.760319 2.596698 3.035378 3.065791 8.726640 7.726792 7.130038 6.750298 8.229950 2.633249 3.815459 3.082742 0.000000 9.566397 9.334984 6.536500 5.126316 4.179485 2.762388 2.186346 7.536067 7.301467 3.482663 1.095018 7.448657 7.563092 7.894106 8.113883 8.319820 9.015015 10.484926 11.173044 6.597429 4.893259 5.362444 4.778542 4.343183 3.122059 2.454955 2.497316 8.514460 7.697831 7.489345 6.959215 8.314998 3.817519 4.344053 3.741844 1.769708 0.000000 11.286554 11.046236 7.326608 6.018461 4.759427 3.486980 2.185120 8.536610 7.794910 2.759837 1.094989 8.675563 8.961009 9.435849 9.625214 9.948494 10.719313 12.237846 12.906236 7.358355 6.059739 6.236435 5.012233 4.879215 3.783929 3.689986 2.495599 9.434814 8.708774 7.980853 7.227454 8.797778 3.161176 3.752417 2.514446 1.768911 1.769681 0.000000 6.371590 5.524740 2.867543 3.518241 4.648552 5.621650 6.870064 2.194688 4.221257 7.745831 7.866598 1.087867 2.107368 2.750647 2.619345 4.083396 5.251487 7.640582 8.754275 2.597723 3.041775 4.189052 5.350696 4.466211 6.102259 5.266875 6.691313 2.523910 3.088043 4.811817 4.931263 4.337175 8.107344 7.383233 8.679060 8.265287 7.566661 8.768893 0.000000 4.595666 4.931692 3.871363 3.838589 5.312787 5.816897 7.331525 2.727517 4.993357 8.199341 8.000775 2.091978 1.088451 2.172276 3.510975 2.568113 4.028779 6.043727 6.747392 4.452523 3.309701 3.694476 5.969134 5.735569 5.765505 5.408722 7.587006 3.468720 2.395839 4.907071 5.894461 5.386305 8.177452 8.085441 9.244544 8.010537 7.683070 9.064885 3.062842 0.000000 4.067643 2.246792 6.305823 6.327773 7.315849 7.673166 8.821048 5.535691 7.775405 10.085118 9.303041 4.039357 3.472851 2.163742 1.085105 2.694894 2.714156 4.861686 6.279031 6.081730 5.372301 6.835444 8.278952 7.114301 8.130565 6.852685 8.592582 5.970398 6.016858 8.213074 8.443238 8.001635 10.459810 10.034844 10.916536 9.710380 8.601164 10.179503 3.690322 4.326845 0.000000 5.148503 3.737451 4.803643 4.800518 5.665679 6.124823 7.231494 4.338967 6.307483 8.448833 7.858751 2.928723 2.822038 2.140424 1.094847 3.239987 3.858506 6.161969 7.471360 4.469856 3.873681 5.469044 6.628894 5.379793 6.692698 5.377909 6.949380 4.873559 4.989331 6.849465 6.864138 6.608188 8.888143 8.342105 9.271828 8.339524 7.249524 8.717048 2.395848 3.828797 1.771911 0.000000 5.163665 3.771867 5.222162 5.642228 6.738293 7.434208 8.643346 4.326966 6.577820 9.728350 9.397271 2.911980 2.811847 2.140813 1.094621 3.251111 3.880454 6.182574 7.484547 4.935193 4.890159 6.214078 7.570146 6.499382 7.915476 6.814720 8.397098 4.522960 4.961304 7.090876 7.309986 6.621506 10.114752 9.493536 10.611866 9.820652 8.867044 10.288915 2.378828 3.823552 1.772406 1.758620 0.000000 2.379259 3.301219 5.968151 5.680388 6.997534 7.145996 8.584807 4.907376 7.193217 9.665066 8.928712 3.906896 2.564008 2.103007 3.501082 1.084623 2.146579 3.832451 4.512947 6.409375 4.890894 5.539382 7.800424 7.368596 7.072659 6.473474 8.830710 5.589074 4.634952 7.105552 8.038508 7.610254 9.635487 9.736911 10.649438 8.903095 8.384845 9.983075 4.555207 2.243794 3.770261 4.122593 4.129632 0.000000 2.078275 2.635742 9.699986 9.173987 10.151297 9.888158 11.021410 8.863644 11.103933 12.386434 10.898876 7.578538 6.368045 5.127432 5.507968 4.002646 2.664460 1.092826 2.171369 9.875419 8.158421 9.208419 11.137653 10.320477 9.946703 8.919079 11.119406 9.547472 8.801486 11.155459 11.807244 11.574313 12.470178 12.694084 13.186053 10.958403 10.027062 11.794680 7.793855 6.434524 4.818296 6.060898 6.337289 4.306269 0.000000 2.078565 2.629341 9.927459 9.656710 10.802679 10.765480 12.011853 8.869538 11.276840 13.311973 12.072240 7.577467 6.367883 5.121003 5.491961 4.002280 2.661475 1.092805 2.171148 10.104351 8.699628 9.688829 11.740724 10.958293 10.827806 9.866479 12.090594 9.383775 8.801293 11.325667 12.089572 11.597543 13.394771 13.498146 14.179828 12.143476 11.266088 13.015925 7.789139 6.441594 4.791151 6.299121 6.072330 4.314068 1.772577 0.000000 2.652303 4.572810 10.435219 10.054382 11.274009 11.135910 12.459905 9.322855 11.617268 13.636175 12.437843 8.297188 6.969614 6.103236 6.980906 4.769795 3.938541 2.160246 1.093268 10.861131 9.221020 9.807187 12.105427 11.662504 10.946685 10.339357 12.753956 9.890880 8.956137 11.425819 12.476631 12.003341 13.514853 13.881831 14.551885 12.285835 11.729905 13.436721 8.807371 6.636777 6.575587 7.772104 7.577674 4.469773 3.079526 2.516202 0.000000 3.343592 4.780401 11.446975 10.942339 12.027706 11.740152 12.943263 10.459482 12.730187 14.224320 12.761676 9.316633 8.008401 6.953438 7.595601 5.651679 4.505295 2.140450 1.093719 11.778234 10.016422 10.781175 12.936853 12.341668 11.618564 10.843138 13.178202 11.093220 10.192707 12.614542 13.516744 13.176264 14.161380 14.558502 15.064067 12.657157 11.947109 13.691731 9.703633 7.812324 6.995108 8.284522 8.300837 5.571085 2.507661 2.507689 1.772993 0.000000 2.651919 4.576675 10.218275 9.590210 10.649590 10.287669 11.505279 9.317020 11.448812 12.731524 11.299152 8.298024 6.969586 6.108568 6.993597 4.769970 3.940564 2.160311 1.093264 10.647776 8.710681 9.331281 11.519644 11.063591 10.073292 9.436855 11.834671 10.046532 8.956039 11.256372 12.202297 11.980615 12.596285 13.098994 13.582499 11.112441 10.542050 12.254034 8.811487 6.629617 6.595584 7.579860 7.792234 4.461936 2.516768 3.079408 1.777309 1.772894 0.000000 C17H30O2 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 0 236.1806999999999 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;1;2;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/rA:49nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.0298,.8387,-.6266;-4.6742,.3647,1.5469;2.5106,-2.2598,-.1796;2.5875,-.7465,-.4475;3.8507,-.058,.0816;3.8259,1.4594,-.1355;5.0139,2.2286,.47;1.125,-2.8236,-.5833;3.6161,-3.0363,-.9054;6.3551,1.8167,-.1517;4.8015,3.741,.3252;-.0041,-2.2801,.2347;-1.0472,-1.5932,-.259;-2.1543,-1.0399,.5226;-2.1465,-1.2517,2.0114;-3.116,-.364,-.1595;-4.3119,.2868,.3817;-6.2551,1.5318,-.2656;-6.8737,2.0491,-1.545;2.6313,-2.42,.9008;1.7131,-.2626,.003;2.5052,-.5768,-1.5303;4.7347,-.4838,-.4014;3.9515,-.2671,1.1553;3.7812,1.6708,-1.2132;2.8982,1.86,.2931;5.0507,1.9936,1.543;1.1521,-3.9136,-.4522;.9514,-2.6329,-1.6487;3.5479,-2.8854,-1.9891;4.6124,-2.7195,-.5869;3.5345,-4.1106,-.7115;6.3474,1.9883,-1.2348;6.5818,.7607,.0179;7.1782,2.4016,.2716;4.7593,4.0277,-.7323;3.865,4.0602,.7945;5.6178,4.3041,.7894;.0656,-2.4635,1.3047;-1.0874,-1.4152,-1.3321;-3.0139,-.815,2.4955;-1.2427,-.8122,2.4457;-2.1188,-2.3226,2.2362;-3.0182,-.2761,-1.2361;-6.0068,2.3422,.4242;-6.9142,.8294,.2507;-7.1095,1.2272,-2.2262;-7.8014,2.5791,-1.3113;-6.1995,2.744,-2.0528; 0.4351989 0.1048795 0.0906998 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= 1011 RedAO= T EigKep= 1.48D-06 NBF= 1011 NBsUse= 1009 1.00D-06 EigRej= 9.62D-07 NBFU= 1009 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= 1044 1044 1044 1044 1044 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.634911106093 -816.679030304074 -0.044119197981 -816.679068615574 -0.000038311500 -816.679190506712 -0.000121891138 -816.679198341873 -0.000007835161 -816.679201103782 -0.000002761908 -816.679201226217 -0.000000122435 -816.679201245095 -0.000000018878 -816.679201245930 -0.000000000835 -816.679201245922 0.000000000008 -816.679201246212 -0.000000000290 -816.679201246 11 8.125697270125e+02 -4.625106195799e+03 1.632266871584e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1413026456 LenY= 1411759706 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. PT18072.200S 2024-09-20T19:00:27.000 -19.16474 -19.10948 -10.30116 -10.22003 -10.20629 -10.17871 -10.17468 -10.17071 -10.16788 -10.16389 -10.16251 -10.15799 -10.15782 -10.15143 -10.15103 -10.15069 -10.14813 -10.14607 -10.14574 -1.10067 -1.01367 -0.83782 -0.81631 -0.80020 -0.77894 -0.76096 -0.73465 -0.70997 -0.68140 -0.67450 -0.66617 -0.64690 -0.60389 -0.58978 -0.56045 -0.55466 -0.54660 -0.53099 -0.50183 -0.49036 -0.47956 -0.47147 -0.46565 -0.45030 -0.43648 -0.43060 -0.42935 -0.42714 -0.41855 -0.41365 -0.41247 -0.39860 -0.39079 -0.38751 -0.37619 -0.37570 -0.37435 -0.37223 -0.36057 -0.35615 -0.35288 -0.35143 -0.34782 -0.34261 -0.33178 -0.32061 -0.31638 -0.31153 -0.31024 -0.30718 -0.30604 -0.29448 -0.28099 -0.23648 -0.06771 0.00515 0.01063 0.01563 0.01887 0.02053 0.02733 0.03136 0.03245 0.03399 0.03801 0.04354 0.04531 0.04848 0.05070 0.05465 0.05833 0.06252 0.06529 0.06741 0.06789 0.07217 0.07373 0.07802 0.07898 0.08571 0.08885 0.08974 0.09276 0.09686 0.09834 0.10311 0.10449 0.10608 0.11378 0.11732 0.11757 0.12169 0.12311 0.12548 0.12684 0.13262 0.13802 0.13881 0.14353 0.14829 0.15031 0.15360 0.15514 0.16150 0.16488 0.16798 0.16997 0.17221 0.17292 0.17925 0.18312 0.18392 0.18848 0.19348 0.19480 0.19544 0.19853 0.19955 0.20140 0.20409 0.20573 0.20649 0.21172 0.21317 0.21522 0.21813 0.22011 0.22277 0.22335 0.22757 0.23112 0.23329 0.23502 0.23786 0.24047 0.24251 0.24681 0.24828 0.24939 0.25180 0.25541 0.25988 0.26147 0.26426 0.26925 0.27081 0.27313 0.27512 0.27599 0.27997 0.28221 0.28755 0.28985 0.29099 0.29324 0.29520 0.29945 0.30072 0.30647 0.31094 0.31316 0.31654 0.31765 0.32950 0.33340 0.33420 0.33919 0.34234 0.34461 0.34680 0.34828 0.35624 0.35775 0.35969 0.36450 0.36717 0.37219 0.37339 0.37899 0.38553 0.38884 0.39433 0.39658 0.39807 0.40035 0.40480 0.40691 0.41173 0.41410 0.41695 0.41981 0.42651 0.42918 0.43013 0.43308 0.43773 0.44259 0.44454 0.44656 0.45406 0.45713 0.45813 0.46003 0.46819 0.47221 0.47401 0.48360 0.48805 0.49009 0.49574 0.50054 0.50587 0.50899 0.51412 0.51807 0.52384 0.52638 0.53135 0.53685 0.54084 0.54240 0.54748 0.55303 0.55564 0.56302 0.56719 0.57016 0.57332 0.57604 0.57860 0.58151 0.58507 0.58879 0.58938 0.59613 0.59779 0.60022 0.60231 0.60782 0.61038 0.61264 0.61981 0.62333 0.62629 0.63178 0.63631 0.63926 0.64363 0.64629 0.64777 0.64980 0.65291 0.65836 0.66422 0.66713 0.66803 0.67003 0.67193 0.67641 0.68107 0.68414 0.68811 0.69107 0.69351 0.69660 0.69975 0.70491 0.70935 0.71331 0.71780 0.72227 0.72472 0.72955 0.73165 0.73667 0.74213 0.74406 0.75035 0.75172 0.75503 0.76170 0.76523 0.76990 0.77654 0.78018 0.78543 0.79139 0.79787 0.80314 0.80803 0.81523 0.81843 0.82320 0.83044 0.83884 0.84237 0.84728 0.85903 0.86314 0.86560 0.86806 0.87614 0.87889 0.88269 0.88588 0.89717 0.90270 0.91126 0.91705 0.92579 0.92970 0.93528 0.93819 0.96115 0.96815 0.97189 0.97433 0.98036 0.99236 0.99554 0.99988 1.00167 1.00840 1.01066 1.01534 1.02484 1.03066 1.04026 1.04167 1.04340 1.04966 1.05072 1.06332 1.06484 1.06686 1.07213 1.07604 1.07765 1.08297 1.08442 1.09083 1.09792 1.10519 1.10791 1.11209 1.11492 1.11920 1.12416 1.12721 1.13087 1.13432 1.13888 1.14425 1.14726 1.15416 1.15792 1.16149 1.16353 1.16991 1.17325 1.17473 1.17723 1.18838 1.19487 1.19669 1.19904 1.20299 1.20426 1.20876 1.21168 1.21494 1.22226 1.22689 1.22992 1.23499 1.24429 1.24944 1.25431 1.25644 1.25831 1.26124 1.26793 1.27385 1.27831 1.28286 1.28515 1.28671 1.29032 1.29905 1.30419 1.30681 1.30948 1.32082 1.32652 1.33094 1.33176 1.33745 1.34241 1.34497 1.35575 1.35673 1.36702 1.37024 1.37322 1.38046 1.38412 1.39183 1.39568 1.40087 1.40642 1.41100 1.41235 1.41778 1.42050 1.42180 1.42760 1.42975 1.43810 1.44487 1.44597 1.45210 1.45772 1.46808 1.47355 1.47545 1.48483 1.49015 1.49740 1.50269 1.50411 1.51049 1.51476 1.51853 1.52203 1.53318 1.53829 1.54125 1.54387 1.54814 1.55735 1.56115 1.56691 1.57675 1.58361 1.58576 1.58862 1.59799 1.60629 1.60695 1.61756 1.61982 1.63291 1.63629 1.64607 1.65204 1.65665 1.66230 1.66817 1.67070 1.67609 1.68644 1.69065 1.69756 1.70538 1.71823 1.72632 1.72676 1.73712 1.74790 1.75107 1.75787 1.76559 1.77288 1.78158 1.79209 1.80148 1.81456 1.81985 1.83666 1.84760 1.85590 1.86321 1.87422 1.88638 1.89291 1.90387 1.91764 1.92359 1.93654 1.94080 1.95280 1.95753 1.96473 1.97506 1.97848 1.98051 1.99366 2.00170 2.01195 2.01282 2.02251 2.03137 2.04062 2.05005 2.05663 2.06410 2.06538 2.07675 2.08673 2.09630 2.10554 2.11721 2.11814 2.12726 2.13471 2.14029 2.15043 2.15799 2.16245 2.16589 2.17184 2.18454 2.19275 2.20961 2.21246 2.21888 2.22698 2.22921 2.24169 2.26269 2.27280 2.28402 2.29691 2.29904 2.30924 2.31665 2.33418 2.35479 2.36129 2.37761 2.39267 2.40638 2.41564 2.43028 2.44808 2.46175 2.47976 2.49822 2.50358 2.53097 2.53948 2.56457 2.59976 2.61671 2.63917 2.69521 2.70708 2.71430 2.72590 2.72806 2.74359 2.75811 2.76537 2.77314 2.78508 2.78933 2.79776 2.80784 2.81386 2.81797 2.82709 2.83187 2.83803 2.84694 2.85278 2.85865 2.87836 2.88096 2.88737 2.88990 2.89867 2.90829 2.91538 2.91726 2.92149 2.92542 2.93198 2.94010 2.94393 2.95769 2.96445 2.96916 2.97605 2.98043 2.99212 2.99879 3.00677 3.01093 3.01690 3.02936 3.03345 3.05269 3.06170 3.07509 3.08025 3.08661 3.09119 3.09950 3.09997 3.10468 3.10854 3.11882 3.12414 3.12656 3.12779 3.14500 3.15035 3.16460 3.17103 3.17256 3.17808 3.18351 3.18776 3.19732 3.20282 3.20921 3.21276 3.22041 3.22734 3.23097 3.23392 3.24571 3.25381 3.26210 3.26292 3.26871 3.27440 3.27881 3.28568 3.29261 3.30373 3.30479 3.30821 3.31092 3.32528 3.33863 3.34512 3.34855 3.35157 3.35900 3.36627 3.37022 3.37691 3.38752 3.39117 3.39588 3.41156 3.41417 3.42358 3.43363 3.43605 3.44880 3.45899 3.47441 3.48422 3.49932 3.50612 3.51823 3.53110 3.53349 3.54975 3.55657 3.56115 3.56466 3.57588 3.59139 3.60291 3.62200 3.63289 3.63737 3.64167 3.65662 3.66364 3.67929 3.68762 3.69440 3.69844 3.70426 3.70949 3.72650 3.73280 3.74646 3.77495 3.78088 3.79112 3.79939 3.80394 3.80997 3.82964 3.84761 3.84942 3.86160 3.87358 3.88197 3.89143 3.89729 3.90267 3.91236 3.92087 3.94019 3.94715 3.95026 3.95897 3.96169 3.97849 3.98113 3.98689 4.00519 4.02428 4.04457 4.08362 4.08613 4.09323 4.10203 4.11031 4.11967 4.14296 4.15840 4.18099 4.20317 4.20614 4.22319 4.24666 4.25080 4.26207 4.27316 4.27964 4.28483 4.28907 4.29583 4.31234 4.31464 4.32148 4.32409 4.33052 4.33443 4.34742 4.35257 4.35469 4.35538 4.36385 4.36576 4.36800 4.37201 4.38544 4.39106 4.39507 4.40146 4.40879 4.41163 4.42297 4.42800 4.43875 4.44206 4.45214 4.45934 4.48963 4.49868 4.50323 4.51097 4.51648 4.52585 4.53819 4.54194 4.54417 4.55691 4.57163 4.57378 4.58184 4.58821 4.59665 4.60038 4.60557 4.61270 4.61918 4.62202 4.62755 4.63861 4.64118 4.64553 4.64990 4.65545 4.67182 4.67824 4.69646 4.70376 4.71733 4.72217 4.73443 4.74491 4.76604 4.77997 4.78650 4.79345 4.80067 4.80095 4.81151 4.84169 4.84576 4.85255 4.86505 4.88805 4.92692 4.94362 4.96221 4.96438 4.99362 5.01768 5.07584 5.10400 5.14729 5.16192 5.20644 5.20953 5.23922 5.26580 5.34115 5.34589 5.37274 5.39820 5.41172 5.45918 5.47495 5.48097 5.50586 5.52281 5.54518 5.54945 5.55244 5.58542 5.59311 5.61476 5.62081 5.63885 5.68487 5.68993 5.71374 5.71910 5.74235 5.77276 5.78377 5.78749 5.78826 5.80666 5.81053 5.82429 5.83028 5.83960 5.84297 5.85007 5.86895 5.86924 5.89444 5.90301 5.90871 5.96340 5.97349 6.02851 6.09837 6.19096 6.32370 6.36264 6.54512 6.98622 7.05129 7.09803 7.14411 7.16478 7.16718 7.18275 7.18610 7.19355 7.20846 7.22169 7.23035 7.23651 7.26904 7.28718 7.30208 7.30885 7.31228 7.33378 7.33839 7.34325 7.37191 7.37496 7.38193 7.38954 7.40163 7.42223 7.43223 7.45634 7.46418 7.50736 7.51464 7.52326 7.53774 7.57503 7.59667 7.63557 7.64565 7.66260 7.68664 7.69052 7.75006 7.76225 7.77198 7.77325 7.78780 7.78931 7.82565 7.83482 7.87704 7.89091 7.89374 7.92318 7.96002 7.96782 7.98687 7.99378 8.00619 8.03150 8.05150 8.06986 8.08565 8.10573 8.12354 8.15235 8.16396 8.20399 8.22819 8.25740 8.28575 8.29440 8.29907 8.31594 8.34644 8.37286 8.39910 8.42616 8.44132 8.47646 8.51364 8.54742 8.64800 8.69106 8.71569 8.77164 8.81709 8.87611 14.38281 14.41607 14.45548 14.51149 14.51684 14.67566 14.78799 14.95766 15.06878 15.22518 24.22719 24.24896 24.27638 24.33098 24.37298 24.40571 24.44299 24.47673 24.51292 24.52110 24.53980 24.54819 24.55273 24.63074 25.08283 25.62786 25.73722 50.22215 50.46678 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 49 O O 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 H H -0.576228 -0.817493 -0.199038 -0.428392 -0.257348 -0.415684 0.053331 0.052991 -0.515584 -0.556685 -0.467967 -0.212978 -0.258229 0.707820 -0.719948 -0.393889 0.641237 0.230906 -0.501402 0.137954 0.177879 0.155114 0.151030 0.143006 0.158300 0.141836 0.124304 0.149993 0.144615 0.155653 0.156991 0.148641 0.154548 0.159021 0.148216 0.155513 0.148374 0.145231 0.148578 0.140012 0.185868 0.184991 0.183367 0.142145 0.162475 0.163018 0.155051 0.157973 0.154884 -0.00000 2.3997 -1.1095 -1.6941 3.1400 -122.2586 -117.6578 -124.1665 -8.1108 12.4402 -2.7950 -0.8976 3.7032 -2.8056 -8.1108 12.4402 -2.7950 -126.4399 -2.5372 -7.0300 -33.3344 47.1857 -57.6859 13.0407 -4.9909 6.6380 9.6967 -12151.7540 -2966.0312 -754.9630 -427.1595 385.9420 -146.1521 -24.7949 40.3949 -13.8282 -2542.6388 -2404.9189 -610.5526 -40.2986 11.9905 9.0255 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON26 ALCAMI 2024-09-20T00:00:00.000 0 Single Point Hydroprene CONF222octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.6792012 RMSD=2.494e-09 Dipole=-1.030824,0.3643506,0.5751229 Quadrupole=5.9975205,-5.8805045,-0.117016,4.9208132,7.9565072,-3.1001238 PG=C01 [X(C17H30O2)] 0 4.3727421506 -2.1778737398 1.2252410179 0 3.8631229297 -2.771802372 -0.8872638848 0 -3.4545342379 -0.1380718756 0.1156110315 0 -2.5880789013 1.1330228982 0.1514297184 0 -3.1404683984 2.3167478576 -0.6506483822 0 -2.1901544439 3.519699215 -0.6500648046 0 -2.6313720333 4.7052012212 -1.5272911221 0 -2.7253480966 -1.3242244518 0.7952284178 0 -4.8239062197 0.0722286374 0.7732101209 0 -3.9577763708 5.3178638191 -1.0581139929 0 -1.5345149892 5.7769723808 -1.5690904034 0 -1.4786324368 -1.74759054 0.0839611515 0 -0.2487867108 -1.7423916429 0.6234939913 0 0.9855615132 -2.1376027985 -0.0568395921 0 0.891521366 -2.5986601912 -1.485116349 0 2.1392294327 -2.0539382725 0.6566063932 0 3.4966828897 -2.3781803548 0.2108161508 0 5.7742030531 -2.4506076045 0.9541905491 0 6.5430484184 -2.1623256762 2.2242061192 0 -3.6172371434 -0.4085826882 -0.9369918443 0 -1.589020179 0.8910063963 -0.2292913508 0 -2.4498030348 1.4344477316 1.1993045694 0 -4.1121325116 2.6160575616 -0.2477776349 0 -3.3179418529 1.9978443049 -1.6867241144 0 -2.0554659274 3.8749244272 0.3813646107 0 -1.2012234497 3.1857466392 -0.9896480543 0 -2.7744320814 4.3279719642 -2.5495247134 0 -3.4160509672 -2.1777730098 0.8177707254 0 -2.5018318486 -1.0649550643 1.8365850428 0 -4.7083009833 0.3677220035 1.8225915495 0 -5.4021096868 0.8508833643 0.2695074387 0 -5.4176177383 -0.8471927907 0.7481044963 0 -3.8770092539 5.6657029384 -0.0211630502 0 -4.7832686011 4.602763448 -1.1074904153 0 -4.2312786987 6.1787756875 -1.6770114904 0 -1.3547496954 6.1878431162 -0.5685001375 0 -0.587832999 5.3664908467 -1.9356451584 0 -1.8149523576 6.608619645 -2.2238573193 0 -1.6158365013 -2.0646158002 -0.9476030005 0 -0.138167495 -1.411309431 1.654451222 0 1.8569277518 -2.8798019627 -1.89304247 0 0.4650799362 -1.8041391426 -2.1060625091 0 0.2148183326 -3.4560327155 -1.5570995389 0 2.085623613 -1.708838865 1.6834658835 0 6.0994868314 -1.8144590291 0.1272835537 0 5.873318821 -3.4943223726 0.6458745289 0 6.2011613815 -2.8016180885 3.0425294669 0 7.6062800294 -2.3567614253 2.0570104664 0 6.4277026298 -1.1170638503 2.5231211854