Gaussian 16 GINC-HAMILTON27 ALCAMI Optimization Hydroprene CONF286 water 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=Water) 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:3.9617,-1.0206,.7132;3.3826,-2.5446,-.8107;-4.0726,-.4828,-.0813;-3.3493,.554,-.9458;-2.7125,1.716,-.1913;-1.9593,2.6577,-1.1235;-1.311,3.8612,-.437;-3.1456,-1.1414,.9538;-5.2989,.0964,.6128;-.2247,3.4447,.5492;-.7395,4.8189,-1.4763;-1.9237,-1.7308,.3399;-.6758,-1.3638,.6513;.5384,-1.9001,.0436;.3746,-2.9483,-1.0092;1.711,-1.393,.4844;3.0613,-1.7392,.04;5.3498,-1.2191,.4076;6.1555,-.3291,1.3196;-4.4156,-1.2742,-.7576;-4.0605,.948,-1.6798;-2.572,.0496,-1.5301;-2.029,1.3293,.5694;-3.4787,2.2817,.3485;-1.184,2.095,-1.6581;-2.651,3.0203,-1.8921;-2.092,4.3924,.1206;-3.7099,-1.9361,1.454;-2.8677,-.4222,1.7286;-5.8543,-.6793,1.1434;-5.0265,.8598,1.3437;-5.98,.555,-.1065;.5606,2.874,.0462;-.6133,2.8249,1.3583;.2461,4.3158,1.0089;-1.5083,5.1619,-2.1711;-.3008,5.7021,-1.0084;.0446,4.3358,-2.0649;-2.0937,-2.4902,-.4182;-.5332,-.5978,1.4089;-.1752,-3.8013,-.608;1.3141,-3.3082,-1.4077;-.2192,-2.5561,-1.8369;1.6693,-.6335,1.2567;5.5356,-.9712,-.6397;5.6159,-2.2675,.5574;5.918,.7242,1.1708;5.9975,-.5782,2.3689;7.2148,-.4645,1.1023; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6491497/Gau-2166982.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6491497/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 CONF286 water 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 1.3343 1.4352 1.2148 1.5316 1.5377 1.5235 1.096 1.5248 1.0953 1.0954 1.5242 1.0933 1.0947 1.5297 1.0971 1.0958 1.5251 1.5245 1.0968 1.4891 1.0955 1.0931 1.0916 1.0915 1.0916 1.0934 1.0907 1.0917 1.0916 1.0915 1.0929 1.3375 1.0864 1.4599 1.0867 1.4947 1.3515 1.0913 1.0821 1.0915 1.4631 1.0839 1.5076 1.0922 1.092 1.0899 1.09 1.0898 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 49 118.0829 112.658 112.3299 106.7565 109.9626 107.146 107.6778 115.7063 108.3678 108.9322 109.1872 108.572 105.6054 111.9942 109.625 110.2147 109.5751 109.1567 106.1007 114.902 109.295 108.7563 108.8241 108.7779 105.9056 112.1607 110.3178 107.9021 110.2035 108.0987 108.0164 112.7459 107.9039 110.4013 108.8935 110.1272 106.5404 111.1494 111.7214 111.2086 107.3667 107.5391 107.6486 110.8896 112.4 111.1974 107.4913 107.483 107.1429 111.5452 111.5162 111.0039 107.5597 107.5401 107.4693 124.1228 115.8443 120.022 125.326 118.5651 116.1057 117.3684 116.6143 126.0162 110.145 113.4178 109.9877 108.2256 106.5977 108.2146 127.7994 117.5123 114.6876 122.1395 110.004 127.856 107.847 109.7125 109.8336 110.8029 110.7097 107.9355 111.8042 111.7101 109.0013 108.7042 107.7408 107.7202 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 0.0368 -179.7037 -178.4553 60.7678 -57.7203 -59.2115 177.82 63.3918 65.6374 -57.3311 -171.7593 -176.5547 60.4768 -53.9513 -53.9146 -174.2082 69.7288 179.9522 59.6586 -56.4043 63.1978 -57.0958 -173.1587 174.4157 -65.6754 54.6327 -59.2657 60.6432 -179.0487 57.1554 177.0643 -62.6276 177.1938 55.3472 -61.0796 -60.2707 177.8826 61.4559 54.4 -67.4466 176.1266 179.1119 -58.243 56.9414 -59.0128 63.6322 178.8166 56.7802 179.4253 -65.3903 63.7861 -172.9531 -55.1654 -59.1116 64.1491 -178.0631 -174.055 -50.7943 66.9935 58.8772 -61.472 178.4091 -64.4478 175.203 55.0841 177.7129 57.3637 -62.7552 57.8261 178.1119 -62.0856 -177.7814 -57.4955 62.307 -59.8913 60.3945 -179.8029 120.2646 -58.5318 -120.0117 61.1919 -3.5305 177.6732 -178.4335 0.8989 0.3154 179.6478 -0.219 179.4298 -179.566 0.0827 -57.893 -179.3544 59.3133 122.4952 1.0338 -120.2985 -179.3155 0.3578 0.2989 179.9722 179.9279 0.2063 0.2468 -179.4748 -60.9412 61.135 -179.9448 59.1506 -178.7732 -59.853 178.874 -59.0498 59.8704 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1434.4695111910 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= 1.37D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.14D-07 NBFU= 597 Berny optimization. local minimum Step number 49 out of a maximum of 260 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00058 0.00133 0.00188 0.00313 0.00396 0.00415 0.00422 0.00442 0.00486 0.00664 0.00834 0.00979 0.01141 0.01222 0.01649 0.01858 0.02021 0.02156 0.02491 0.02556 0.02848 0.03444 0.03503 0.03685 0.03760 0.03930 0.04584 0.04789 0.04837 0.04886 0.04898 0.04963 0.05123 0.05279 0.05420 0.05454 0.05503 0.05507 0.05558 0.05581 0.05603 0.05607 0.05643 0.05935 0.06237 0.06507 0.07007 0.07475 0.08456 0.08675 0.08932 0.09237 0.11297 0.12105 0.12504 0.12702 0.13029 0.13595 0.14103 0.15509 0.15678 0.15857 0.15903 0.15930 0.15943 0.15984 0.15997 0.16000 0.16004 0.16006 0.16018 0.16041 0.16091 0.16147 0.16183 0.16252 0.16677 0.17445 0.17652 0.19240 0.19873 0.21635 0.21910 0.22348 0.22811 0.22996 0.23183 0.24144 0.25210 0.25961 0.26637 0.28131 0.29484 0.29563 0.29697 0.30018 0.30345 0.30897 0.31627 0.31897 0.31992 0.32612 0.33813 0.34027 0.34055 0.34088 0.34136 0.34188 0.34222 0.34262 0.34296 0.34364 0.34380 0.34503 0.34551 0.34561 0.34589 0.34607 0.34626 0.34632 0.34643 0.34672 0.34718 0.34791 0.34797 0.34819 0.34885 0.35038 0.35070 0.35234 0.35304 0.35665 0.35839 0.37158 0.40185 0.40592 0.45041 0.48472 0.58802 0.62366 0.86106 -3.71823705e-10 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 2.56547 2.75053 2.31742 2.91485 2.93585 2.89636 2.07370 2.89900 2.07292 2.07159 2.89622 2.06253 2.07120 2.90859 2.07671 2.07363 2.90246 2.89829 2.07598 2.82727 2.07291 2.06774 2.06845 2.06801 2.06827 2.07130 2.06522 2.06850 2.06853 2.06862 2.07168 2.53921 2.05495 2.76095 2.05530 2.84133 2.57054 2.06398 2.05161 2.07025 2.75975 2.04839 2.85727 2.06392 2.06396 2.06510 2.06514 2.06572 2.04578 1.96659 1.96293 1.86103 1.91691 1.86842 1.88274 2.02191 1.89477 1.88954 1.90995 1.88852 1.85170 1.95982 1.90745 1.92469 1.90460 1.90878 1.85548 2.00541 1.90381 1.90216 1.88756 1.90458 1.85441 1.95151 1.92803 1.88487 1.92263 1.88880 1.88600 1.96866 1.87874 1.91428 1.91224 1.91880 1.86803 1.93810 1.94134 1.93623 1.87890 1.88426 1.88255 1.92714 1.95950 1.93557 1.87912 1.88165 1.87794 1.94372 1.94336 1.92943 1.88428 1.88094 1.87953 2.16078 2.02442 2.09582 2.19998 2.06424 2.01692 2.06940 2.03647 2.17684 1.92692 1.95919 1.91552 1.90349 1.86803 1.88803 2.22462 2.06568 1.99266 2.12280 1.92199 2.23826 1.87355 1.89376 1.89422 1.95257 1.95277 1.89528 1.93671 1.93739 1.90700 1.89972 1.89115 1.89073 0.00608 -3.11887 3.12341 1.01028 -1.04614 -1.00397 3.12290 1.12002 1.17414 -0.98217 -2.98505 -3.04881 1.07806 -0.92482 -0.86170 -2.97330 1.28331 -3.06476 1.10682 -0.91975 1.17875 -0.93285 -2.95942 3.07300 -1.11803 0.97748 -1.00505 1.08710 -3.10057 1.02563 3.11778 -1.06989 2.96705 0.85102 -1.18264 -1.16777 2.99939 0.96573 0.84251 -1.27351 2.97602 -3.01065 -0.88837 1.12928 -0.89300 1.22929 -3.03625 1.13003 -3.03087 -1.01323 1.16595 -2.96935 -0.91020 -0.96515 1.18275 -3.04130 -2.97529 -0.82739 1.23175 1.03894 -1.05817 3.12356 -1.11201 3.07406 0.97260 3.11277 1.01565 -1.08581 1.02066 3.12482 -1.06986 -3.09792 -0.99377 1.09474 -1.03779 1.06637 -3.12831 1.98446 -1.08648 -2.20632 1.00593 -0.15804 3.05421 -3.02509 0.04450 0.04310 3.11269 -0.10947 3.00045 3.10241 -0.07085 -0.75642 -2.88430 1.29866 2.41960 0.29172 -1.80850 -3.07052 0.04697 0.03723 -3.12846 -3.05251 0.10713 0.11233 -3.01121 -1.05734 1.05757 -3.14153 1.01832 3.13324 -1.06587 -3.13369 -1.01878 1.06530 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -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 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 -0.00001 0.00003 0.00003 0.00003 -0.00001 -0.00001 -0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00006 0.00005 0.00006 0.00006 0.00006 0.00006 0.00006 0.00005 0.00006 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00001 -0.00014 -0.00013 -0.00013 -0.00014 -0.00013 -0.00014 -0.00014 -0.00013 -0.00014 -0.00011 -0.00011 -0.00012 -0.00011 -0.00011 -0.00011 -0.00011 -0.00011 -0.00012 -0.00003 -0.00004 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00004 -0.00003 -0.00004 -0.00003 -0.00004 -0.00003 0.00001 0.00002 0.00000 0.00001 0.00002 0.00003 0.00002 0.00002 0.00010 0.00010 0.00011 0.00010 0.00010 0.00010 0.00001 0.00002 0.00002 0.00002 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -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 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 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 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 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 -0.00002 -0.00001 0.00003 0.00003 0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00004 0.00005 0.00005 0.00004 0.00005 0.00005 0.00005 0.00006 0.00006 0.00004 0.00004 0.00005 0.00005 0.00005 0.00005 0.00004 0.00005 0.00005 -0.00002 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00003 0.00001 -0.00003 -0.00002 -0.00002 -0.00002 0.00002 0.00003 0.00002 0.00004 0.00002 -0.00001 -0.00002 -0.00004 -0.00003 -0.00002 -0.00002 0.00000 0.00001 0.00000 0.00001 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 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -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 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00003 -0.00002 0.00006 0.00007 0.00006 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00002 0.00002 0.00002 -0.00013 -0.00012 -0.00013 -0.00012 -0.00012 -0.00012 -0.00013 -0.00012 -0.00013 -0.00014 -0.00013 -0.00014 -0.00013 -0.00013 -0.00014 -0.00013 -0.00013 -0.00014 -0.00003 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 0.00003 0.00004 0.00004 0.00004 0.00005 0.00005 0.00005 0.00006 0.00005 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 0.00002 0.00002 0.00002 -0.00006 -0.00005 -0.00006 -0.00005 -0.00006 -0.00005 0.00001 0.00000 0.00000 0.00000 0.00003 -0.00001 0.00003 -0.00001 0.00008 0.00008 0.00009 0.00012 0.00012 0.00013 0.00005 0.00004 0.00001 -0.00000 -0.00003 -0.00003 -0.00002 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 2.56547 2.75053 2.31741 2.91485 2.93585 2.89636 2.07370 2.89901 2.07292 2.07159 2.89622 2.06252 2.07120 2.90858 2.07671 2.07363 2.90246 2.89829 2.07598 2.82727 2.07291 2.06774 2.06845 2.06801 2.06827 2.07130 2.06522 2.06850 2.06853 2.06862 2.07168 2.53920 2.05495 2.76095 2.05530 2.84133 2.57053 2.06398 2.05161 2.07025 2.75975 2.04839 2.85727 2.06392 2.06396 2.06510 2.06514 2.06573 2.04577 1.96659 1.96293 1.86102 1.91691 1.86842 1.88275 2.02192 1.89477 1.88954 1.90995 1.88853 1.85169 1.95981 1.90746 1.92469 1.90459 1.90878 1.85548 2.00543 1.90380 1.90216 1.88756 1.90458 1.85440 1.95151 1.92802 1.88488 1.92262 1.88880 1.88600 1.96865 1.87874 1.91429 1.91225 1.91880 1.86803 1.93811 1.94134 1.93623 1.87890 1.88426 1.88255 1.92715 1.95951 1.93556 1.87911 1.88165 1.87793 1.94372 1.94337 1.92943 1.88428 1.88094 1.87953 2.16079 2.02442 2.09582 2.19998 2.06424 2.01692 2.06941 2.03647 2.17683 1.92693 1.95919 1.91552 1.90349 1.86803 1.88803 2.22461 2.06569 1.99266 2.12281 1.92198 2.23826 1.87354 1.89376 1.89422 1.95257 1.95277 1.89528 1.93671 1.93739 1.90700 1.89973 1.89115 1.89072 0.00605 -3.11889 3.12348 1.01035 -1.04608 -1.00400 3.12287 1.12000 1.17412 -0.98219 -2.98507 -3.04883 1.07804 -0.92483 -0.86165 -2.97325 1.28336 -3.06472 1.10687 -0.91970 1.17880 -0.93280 -2.95937 3.07302 -1.11801 0.97750 -1.00502 1.08713 -3.10054 1.02565 3.11780 -1.06987 2.96692 0.85090 -1.18276 -1.16790 2.99927 0.96561 0.84238 -1.27363 2.97589 -3.01079 -0.88850 1.12913 -0.89313 1.22916 -3.03639 1.12990 -3.03100 -1.01337 1.16591 -2.96939 -0.91025 -0.96518 1.18271 -3.04134 -2.97531 -0.82743 1.23171 1.03898 -1.05813 3.12360 -1.11197 3.07411 0.97265 3.11281 1.01571 -1.08575 1.02069 3.12484 -1.06983 -3.09790 -0.99374 1.09477 -1.03777 1.06639 -3.12828 1.98440 -1.08653 -2.20638 1.00587 -0.15809 3.05416 -3.02508 0.04450 0.04311 3.11269 -0.10944 3.00044 3.10245 -0.07085 -0.75634 -2.88422 1.29875 2.41972 0.29184 -1.80837 -3.07047 0.04701 0.03724 -3.12846 -3.05254 0.10711 0.11231 -3.01123 -1.05734 1.05758 -3.14153 1.01832 3.13325 -1.06586 -3.13369 -1.01877 1.06531 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.001113 0.000214 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.029025e-10 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 1.3576 1.4555 1.2263 1.5425 1.5536 1.5327 1.0974 1.5341 1.0969 1.0962 1.5326 1.0914 1.096 1.5392 1.0989 1.0973 1.5359 1.5337 1.0986 1.4961 1.0969 1.0942 1.0946 1.0943 1.0945 1.0961 1.0929 1.0946 1.0946 1.0947 1.0963 1.3437 1.0874 1.461 1.0876 1.5036 1.3603 1.0922 1.0857 1.0955 1.4604 1.084 1.512 1.0922 1.0922 1.0928 1.0928 1.0931 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 49 117.2143 112.6772 112.4674 106.6289 109.8308 107.0528 107.8733 115.8469 108.5625 108.2627 109.432 108.2044 106.0945 112.2895 109.2887 110.2765 109.1254 109.3649 106.3113 114.9018 109.08 108.9856 108.1494 109.1247 106.2496 111.8131 110.4679 107.9952 110.1583 108.2205 108.0601 112.7957 107.6439 109.6804 109.5634 109.9389 107.0303 111.0451 111.2305 110.9378 107.6528 107.9603 107.8622 110.4173 112.2714 110.8997 107.6655 107.8107 107.5978 111.3671 111.3466 110.5482 107.9614 107.7699 107.689 123.8038 115.9909 120.0818 126.0496 118.2722 115.5609 118.568 116.681 124.7236 110.4047 112.2536 109.7511 109.0621 107.0301 108.1763 127.4612 118.355 114.1711 121.6276 110.1217 128.2426 107.3463 108.5042 108.5309 111.874 111.8855 108.5913 110.9654 111.004 109.2629 108.8462 108.355 108.3306 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.3482 -178.698 178.9584 57.8851 -59.9393 -57.523 178.9292 64.1727 67.2735 -56.2742 -171.0308 -174.6838 61.7685 -52.9881 -49.3719 -170.3575 73.5283 -175.598 63.4164 -52.6978 67.5374 -53.4482 -169.5624 176.07 -64.0586 56.0055 -57.5852 62.2863 -177.6496 58.7641 178.6356 -61.3003 169.9993 48.7601 -67.76 -66.9083 171.8524 55.3323 48.2725 -72.9667 170.5132 -172.4977 -50.8997 64.7029 -51.1649 70.4331 -173.9643 64.7459 -173.6561 -58.0535 66.8038 -170.131 -52.1509 -55.2988 67.7664 -174.2535 -170.4714 -47.4061 70.574 59.5272 -60.6287 178.9667 -63.7135 176.1307 55.7261 178.3483 58.1925 -62.2121 58.4795 179.0388 -61.2984 -177.4978 -56.9385 62.7242 -59.4608 61.0985 -179.2387 113.7011 -62.2505 -126.413 57.6354 -9.0548 174.9936 -173.3249 2.5495 2.4695 178.3439 -6.2722 171.9132 177.7553 -4.0593 -43.3398 -165.2583 74.408 138.6329 16.7144 -103.6193 -175.9279 2.6914 2.1332 -179.2476 -174.8957 6.1383 6.4361 -172.5298 -60.5813 60.5946 -179.9966 58.3454 179.5213 -61.0698 -179.5474 -58.3715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0467809850 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:3.9617,-1.0206,.7132;3.3826,-2.5446,-.8107;-4.0726,-.4828,-.0813;-3.3493,.554,-.9458;-2.7125,1.716,-.1913;-1.9593,2.6577,-1.1234;-1.311,3.8612,-.437;-3.1456,-1.1414,.9538;-5.2989,.0964,.6128;-.2247,3.4447,.5492;-.7395,4.8189,-1.4763;-1.9237,-1.7308,.3399;-.6758,-1.3638,.6513;.5384,-1.9001,.0436;.3746,-2.9483,-1.0093;1.711,-1.393,.4844;3.0613,-1.7392,.04;5.3498,-1.2191,.4076;6.1555,-.3291,1.3196;-4.4156,-1.2742,-.7576;-4.0605,.948,-1.6798;-2.572,.0496,-1.5301;-2.0289,1.3293,.5694;-3.4787,2.2817,.3485;-1.184,2.095,-1.6581;-2.651,3.0203,-1.8921;-2.092,4.3924,.1206;-3.7099,-1.9361,1.454;-2.8677,-.4222,1.7286;-5.8543,-.6793,1.1433;-5.0265,.8598,1.3437;-5.98,.5549,-.1065;.5606,2.874,.0462;-.6133,2.8249,1.3583;.2461,4.3158,1.0089;-1.5083,5.1619,-2.1711;-.3008,5.7021,-1.0084;.0446,4.3358,-2.0649;-2.0937,-2.4902,-.4182;-.5332,-.5978,1.4089;-.1752,-3.8013,-.608;1.3141,-3.3082,-1.4077;-.2192,-2.5561,-1.8369;1.6693,-.6335,1.2567;5.5356,-.9712,-.6397;5.6159,-2.2675,.5574;5.918,.7242,1.1708;5.9975,-.5782,2.3689;7.2148,-.4645,1.1024; 0.000000 2.231675 0.000000 8.091341 7.769333 0.000000 7.660412 7.411994 1.531570 0.000000 7.269914 7.462339 2.587801 1.524812 0.000000 7.208385 7.463044 3.926166 2.527623 1.524157 0.000000 7.277054 7.950041 5.159774 3.918004 2.574186 1.529690 0.000000 7.112349 6.906484 1.537716 2.554369 3.108617 4.489466 5.506893 0.000000 9.328252 9.185289 1.523510 2.537688 3.155814 4.552775 5.583845 2.507049 0.000000 6.123038 7.122770 5.534360 4.511557 3.118631 2.534968 1.525146 5.452290 6.079711 0.000000 7.809850 8.464917 6.415932 5.028094 3.895168 2.506685 1.524485 6.871693 6.888785 2.501215 0.000000 5.939799 5.490228 2.520439 2.984266 3.575574 4.626146 5.678826 1.489084 3.847759 5.451252 6.899228 0.000000 4.650537 4.472375 3.584847 3.657388 3.787234 4.579207 5.374746 2.498183 4.848402 4.830659 6.538805 1.337531 0.000000 3.597334 3.038851 4.825514 4.702768 4.868266 5.326744 6.069926 3.869866 6.195505 5.422676 7.006311 2.485615 1.459859 0.000000 4.421593 3.041489 5.168824 5.112459 5.652852 6.073452 7.038289 4.417006 6.639976 6.607465 7.860557 2.929905 2.524164 1.494669 0.000000 2.292717 2.407849 5.882048 5.607426 5.448859 5.697770 6.130914 4.885700 7.167556 5.211035 6.959669 3.653213 2.392783 1.351483 2.536954 0.000000 1.334261 1.214759 7.244708 6.879429 6.732675 6.774414 7.121009 6.302219 8.578516 6.158751 7.730030 4.994017 3.805319 2.528050 3.127559 1.463108 0.000000 1.435157 2.666694 9.463747 8.980527 8.600833 8.414071 8.419550 8.513268 10.731624 7.269562 8.779827 7.291770 6.032226 4.872974 5.454427 3.643752 2.375453 0.000000 2.378821 4.139531 10.324751 9.810884 9.225358 8.985527 8.740309 9.343672 11.484125 7.452704 9.047610 8.258222 6.941453 5.970625 6.760420 4.645765 3.633143 1.507612 0.000000 8.509209 7.901186 1.096036 2.124837 3.487482 4.650474 6.009451 2.135321 2.129908 6.445107 7.152386 2.760914 3.997432 5.057276 5.080526 6.252385 7.533724 9.834845 10.814665 0.000000 8.599775 8.267535 2.145347 1.095265 2.149980 2.765374 4.194115 3.484027 2.741311 5.090658 5.104351 3.977519 4.715315 5.677267 5.941377 6.593473 7.803731 9.879594 10.723492 2.432017 0.000000 6.990426 6.534824 2.152760 1.095438 2.142201 2.709731 4.160872 2.813792 3.468476 4.621657 5.109505 2.662116 3.217394 3.994046 4.235644 4.948059 6.115459 8.253401 9.188742 2.397568 1.745023 0.000000 6.436619 6.796784 2.807790 2.154123 1.093323 2.152913 2.817548 2.738445 3.494969 2.780382 4.245561 3.070500 3.015028 4.158959 5.154292 4.626604 5.967126 7.808091 8.384431 3.772963 3.054676 2.517969 0.000000 8.148440 8.468416 2.860099 2.162649 1.094723 2.148613 2.794742 3.492151 2.856370 3.461369 4.155802 4.303300 4.608421 5.806707 6.636571 6.360430 7.683392 9.497438 10.028832 3.840027 2.496236 3.055089 1.748608 0.000000 6.465868 6.564850 4.180384 2.751448 2.152118 1.097057 2.150917 4.598295 5.107261 2.759336 2.765889 4.379013 4.189819 4.671565 5.318361 5.013736 5.967162 7.611870 8.283163 4.754582 3.096822 2.475191 2.502342 3.054002 0.000000 8.175809 8.278995 4.191895 2.732326 2.144255 1.095778 2.149377 5.065949 4.672825 3.467966 2.657390 5.299416 5.439723 6.174967 6.749662 6.644740 7.682225 9.342067 9.954307 4.779538 2.515203 2.993740 3.050440 2.500163 1.750188 0.000000 8.142346 8.885915 5.266032 4.177436 2.765011 2.138792 1.096815 5.694465 5.383524 2.137382 2.135736 6.129399 5.951497 6.820589 7.825964 6.932947 8.009927 9.324752 9.578686 6.187118 4.356592 4.670612 3.096403 2.535693 3.043996 2.499151 0.000000 7.761486 7.470141 2.144892 3.477068 4.127899 5.550736 6.552808 1.095541 2.713569 6.474458 7.939806 2.115201 3.190307 4.476468 4.875966 5.533684 6.920117 9.148104 9.996410 2.413919 4.273311 3.760671 3.777735 4.366422 5.684652 6.073195 6.666739 0.000000 6.930346 7.072431 2.175144 2.887516 2.877811 4.294761 5.045821 1.093080 2.724851 4.830017 6.501525 2.128941 2.617607 4.077413 4.938595 4.843065 6.303921 8.361077 9.032993 3.050121 3.862274 3.305949 2.261655 3.096609 4.543225 5.000724 5.134904 1.754103 0.000000 9.831292 9.623784 2.170880 3.487234 4.170040 5.607536 6.614735 2.754358 1.091593 7.003727 7.953249 4.147380 5.246664 6.600461 6.969957 7.627387 9.045909 11.241167 12.016203 2.457049 3.719648 4.295588 4.358568 3.878503 6.111989 5.758641 6.397082 2.504842 3.054217 0.000000 9.204381 9.324381 2.177879 2.854584 2.905822 4.327472 5.097482 2.773913 1.091451 5.510914 6.481206 4.164885 4.934820 6.346300 7.014934 7.155944 8.594600 10.623824 11.245090 3.056531 3.175282 3.865206 3.131370 2.325529 5.030063 4.558649 4.752544 3.092332 2.540065 1.759002 0.000000 10.099099 9.887448 2.171629 2.761398 3.468698 4.649921 5.730634 3.469316 1.091608 6.473347 6.893566 4.677384 5.691309 6.967064 7.312213 7.955875 9.329019 11.479402 12.251009 2.493398 2.512832 3.727845 4.082596 3.073355 5.270793 4.510953 5.467565 3.714012 3.742878 1.761072 1.762188 0.000000 5.213441 6.169191 5.722843 4.653331 3.480028 2.786522 2.170444 5.539226 6.509243 1.093402 2.791161 5.240424 4.455717 4.774189 5.920107 4.441054 5.247394 6.310355 6.571507 6.528113 5.295509 4.502732 3.060314 4.093656 2.560210 3.753993 3.057309 6.584577 5.044671 7.414869 6.079183 6.941261 0.000000 6.011190 7.035863 4.998011 4.236920 2.835036 2.828195 2.187153 4.723089 5.473178 1.090742 3.467958 4.848580 4.248380 5.037948 6.317526 4.894593 6.005982 7.267497 7.467706 5.978052 4.963401 4.458840 2.205274 3.086267 3.155428 3.841238 2.485001 5.680292 3.970260 6.308198 4.830969 6.008332 1.761294 0.000000 6.509173 7.759696 6.547232 5.558648 4.117361 3.487120 2.172972 6.425523 6.979094 1.091657 2.720391 6.458838 5.764967 6.297197 7.540297 5.917028 6.747340 7.552738 7.522804 7.489987 6.092393 5.708586 3.779952 4.295068 3.753587 4.299634 2.502318 7.411795 5.715070 7.885658 6.313211 7.358859 1.761938 1.755954 0.000000 8.744294 9.228271 6.542583 5.111027 4.152579 2.751723 2.176660 7.223370 6.912157 3.463586 1.091585 7.347542 7.158421 7.678932 8.406542 7.770617 8.567101 9.715989 10.053360 7.202320 4.950915 5.260932 4.740227 4.304193 3.126341 2.443305 2.486896 8.268595 6.945308 7.999505 6.575678 6.744058 3.798816 4.326540 3.729093 0.000000 8.144116 9.034047 7.303410 5.983332 4.730060 3.468819 2.176270 7.666621 7.683379 2.743688 1.091545 7.726570 7.267862 7.720435 8.676731 7.524398 8.232593 9.046380 9.136652 8.103333 6.098180 6.114027 4.959578 4.862057 3.770053 3.673756 2.489690 8.719426 7.182435 8.728919 7.163339 7.717569 3.138824 3.738599 2.508055 1.761246 0.000000 7.193908 7.749515 6.641178 5.203133 4.239772 2.778153 2.170947 7.020677 7.327759 2.774945 1.092947 6.816219 6.354675 6.601274 7.367602 6.488111 7.101897 8.069431 8.399973 7.285250 5.336393 5.050139 4.503115 4.738928 2.587675 3.004427 3.056890 8.112715 6.746173 8.380982 7.029765 7.377416 2.619115 3.799200 3.080444 1.762157 1.761327 0.000000 6.333082 5.490645 2.838807 3.334968 4.257501 5.197676 6.399438 2.192732 4.245743 6.296992 7.508415 1.086401 2.103169 2.736713 2.579087 4.061361 5.229589 7.596311 8.702908 2.642902 4.156990 2.813457 3.945629 5.027621 4.836217 5.731374 6.903608 2.534577 3.079719 4.456379 4.788283 4.947046 6.002966 5.796365 7.337065 7.872058 8.406954 7.340188 0.000000 4.567976 4.904066 3.842059 3.847367 3.558645 4.364076 4.888283 2.706877 4.881406 4.144451 6.140694 2.088052 1.086715 2.169864 3.492309 2.554085 4.012105 5.999827 6.694704 4.497173 4.936732 3.635054 2.579937 4.253513 4.132969 5.336005 5.384410 3.447442 2.362866 5.328343 4.724291 5.770077 3.886795 3.424072 4.991091 6.851409 6.751808 6.061545 3.058547 0.000000 5.156726 3.778644 5.145857 5.399846 6.087100 6.720686 7.748130 4.282289 6.552502 7.338048 8.682207 2.871052 2.788959 2.132694 1.091269 3.248254 3.891950 6.182620 7.473271 4.938650 6.228985 4.628677 5.580880 6.987973 6.073490 7.369790 8.446412 4.497268 4.912087 6.713166 7.005047 7.274973 6.747552 6.925719 8.287301 9.195633 9.512713 8.269468 2.331540 3.802450 0.000000 4.091621 2.284353 6.225597 6.072629 6.552521 6.810823 7.696306 5.491832 7.707456 7.197167 8.382790 4.003144 3.461177 2.165779 1.082106 2.721333 2.758725 4.893562 6.304979 6.114661 6.861093 5.137220 6.049038 7.569799 5.957983 7.483761 8.557773 5.942413 5.971014 8.050086 8.071245 8.355882 6.395386 6.998608 8.068782 8.960507 9.162574 7.776528 3.641614 4.323386 1.760817 0.000000 5.132310 3.745112 4.714825 4.501624 5.213056 5.542633 6.658352 4.284108 6.232215 6.457848 7.402139 2.885292 2.796687 2.130880 1.091479 3.235292 3.866768 6.151352 7.453848 4.518682 5.201826 3.524150 4.915489 6.229388 4.753522 6.083897 7.457937 4.837324 4.927648 6.645202 6.700386 6.772041 5.800026 6.270589 7.452385 7.832056 8.300102 6.900756 2.351826 3.803809 1.750049 1.760866 0.000000 2.387467 3.295698 5.897685 5.607866 5.178571 5.446500 5.652752 4.851085 7.035913 4.551946 6.557490 3.867083 2.529675 2.086834 3.488435 1.083950 2.154165 3.822251 4.496955 6.441624 6.629834 5.120699 4.242933 5.985460 4.907375 6.475415 6.379505 5.538254 4.566421 7.524603 6.860897 7.860269 3.872679 4.145091 5.155847 7.445421 7.010887 6.194152 4.518098 2.208055 4.112707 3.791975 4.102847 0.000000 2.076045 2.672085 9.636755 9.020015 8.686376 8.341227 8.382643 8.827831 10.958770 7.354938 8.579108 7.561542 6.356218 5.128499 5.539085 4.008598 2.678374 1.092189 2.152989 9.956499 9.841178 8.219909 7.998505 9.634055 7.455942 9.193525 9.355516 9.528585 8.747893 11.532257 10.901556 11.628524 6.325071 7.497429 7.658229 9.464483 8.873105 7.768312 7.782201 6.416071 6.373624 4.885937 6.087883 4.319513 0.000000 2.077414 2.633634 9.872155 9.518141 9.262354 9.190563 9.302246 8.842420 11.167988 8.169625 9.733636 7.561764 6.356919 5.116607 5.512636 4.002263 2.659434 1.092014 2.151694 10.165960 10.439152 8.761700 8.448713 10.171065 8.377236 10.114486 10.195902 9.374675 8.760625 11.594402 11.120197 11.952923 7.228612 8.085640 8.507552 10.648718 10.048570 9.028847 7.774281 6.428366 6.103014 4.842521 6.313769 4.328305 1.766335 0.000000 2.660945 4.586869 10.140815 9.507435 8.793431 8.429336 8.042638 9.256111 11.248315 6.746900 8.251976 8.258875 6.935916 6.090766 6.997801 4.759433 3.937931 2.163678 1.089924 10.700256 10.380028 8.934700 7.992593 9.560312 7.766551 9.385144 8.872325 9.992717 8.877714 11.855657 10.946702 11.967582 5.881173 6.863398 6.715354 9.274233 8.258413 7.616455 8.777511 6.589534 7.795569 6.641132 7.580984 4.461145 2.509669 3.068874 0.000000 2.661137 4.562290 10.364361 9.981610 9.363911 9.272478 8.999778 9.269095 11.452035 7.629666 9.449930 8.257789 6.935432 6.079189 6.974745 4.752829 3.923374 2.162581 1.090004 10.894636 10.949162 9.435701 8.444011 10.102477 8.656589 10.290896 9.757147 9.844606 8.889714 11.915440 11.164610 12.283080 6.846405 7.503739 7.673313 10.483227 9.514044 8.901899 8.768825 6.600924 7.573162 6.606836 7.761984 4.469154 3.069109 2.506208 1.771440 0.000000 3.323179 4.761572 11.349303 10.808908 10.245961 9.943165 9.683515 10.383536 12.535857 8.422268 9.891092 9.257261 7.954454 6.910601 7.577416 5.615672 4.472680 2.128453 1.089759 11.806009 11.699010 10.147652 9.431261 11.066201 9.203826 10.883233 10.543685 11.029030 10.102042 13.070911 12.315104 13.289263 7.519285 8.495015 8.451178 10.884139 9.948161 9.191652 9.646998 7.755195 8.286836 7.014683 8.263069 5.550196 2.472118 2.470757 1.760498 1.760331 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:-4.1821,.3349,-.4364;-4.0489,-1.1732,1.2031;3.5855,-1.8966,-.0439;3.3274,-.6096,.7453;3.0732,.6395,-.0914;2.7595,1.8532,.7756;2.5138,3.1504,.0031;2.4149,-2.2691,-.9688;4.881,-1.8355,-.8433;1.2806,3.0633,-.8901;2.3837,4.3241,.9672;1.1141,-2.3475,-.2482;.0481,-1.5944,-.5403;-1.2278,-1.6263,.1685;-1.3553,-2.5817,1.311;-2.1849,-.7785,-.2691;-3.5352,-.5979,.2646;-5.5275,.6559,-.0536;-6.0448,1.6976,-1.0128;3.6858,-2.7033,.6913;4.1829,-.4324,1.4059;2.4699,-.7655,1.4089;2.2441,.4575,-.7805;3.9446,.86,-.7164;1.8803,1.6384,1.3955;3.5886,2.0106,1.4746;3.3859,3.3321,-.6369;2.6341,-3.2465,-1.4125;2.3436,-1.5601,-1.7977;5.096,-2.7943,-1.3187;4.8332,-1.0837,-1.6331;5.7293,-1.5886,-.2022;.3869,2.842,-.3004;1.3722,2.2867,-1.6506;1.104,4.0056,-1.4122;3.2728,4.4306,1.5914;2.2407,5.266,.4343;1.5275,4.1908,1.6333;1.0695,-3.0578,.5725;.1208,-.8874,-1.3624;-1.1625,-3.6008,.9719;-2.329,-2.5604,1.7827;-.6036,-2.3581,2.07;-1.943,-.1428,-1.1131;-5.5389,1.0327,.9715;-6.147,-.2427,-.0884;-5.4505,2.6105,-.9782;-6.06,1.3291,-2.0385;-7.0672,1.9563,-.7382; 0.3888943 0.1584387 0.1217255 -19.16992 -19.11335 -10.30587 -10.22168 -10.20489 -10.17598 -10.17389 -10.16780 -10.16404 -10.15978 -10.15973 -10.15771 -10.15669 -10.14895 -10.14811 -10.14694 -10.14544 -10.14424 -10.14383 -1.11803 -1.02659 -0.84184 -0.81987 -0.80275 -0.78470 -0.76181 -0.73639 -0.71334 -0.68261 -0.67542 -0.66666 -0.65217 -0.60578 -0.59610 -0.56716 -0.55045 -0.53781 -0.53437 -0.50667 -0.49732 -0.48311 -0.47352 -0.46835 -0.45711 -0.44394 -0.43389 -0.43297 -0.42674 -0.41585 -0.41542 -0.40719 -0.40050 -0.39640 -0.38816 -0.37599 -0.37550 -0.37476 -0.36781 -0.36240 -0.35714 -0.35440 -0.35287 -0.35083 -0.33732 -0.33159 -0.32406 -0.31417 -0.31265 -0.31010 -0.30844 -0.30106 -0.29246 -0.28653 -0.23644 -0.06623 0.00510 0.01370 0.01520 0.01999 0.02463 0.03040 0.03132 0.03476 0.03923 0.03991 0.04566 0.04848 0.05116 0.05375 0.05960 0.06399 0.06563 0.06759 0.06882 0.07170 0.07619 0.07923 0.08433 0.08800 0.09030 0.09325 0.09547 0.09590 0.10105 0.10364 0.10860 0.11021 0.11675 0.11823 0.11984 0.12508 0.12702 0.12819 0.13178 0.13750 0.14223 0.14461 0.15021 0.15052 0.15463 0.15589 0.16248 0.16806 0.16906 0.17143 0.17673 0.18045 0.18165 0.18712 0.18743 0.19237 0.19328 0.19740 0.19933 0.19998 0.20171 0.20553 0.20647 0.20934 0.21214 0.21462 0.21842 0.22122 0.22249 0.22381 0.22667 0.22876 0.23383 0.23528 0.23652 0.23884 0.24180 0.24655 0.24916 0.24965 0.25491 0.25743 0.26086 0.26202 0.26370 0.26724 0.26898 0.27271 0.27490 0.27757 0.28081 0.28281 0.28648 0.29030 0.29289 0.29637 0.30043 0.30168 0.30585 0.30798 0.31463 0.31754 0.31972 0.32578 0.32877 0.33518 0.33905 0.34378 0.34741 0.35545 0.35776 0.36977 0.37722 0.38105 0.38869 0.39259 0.39550 0.40383 0.41010 0.41603 0.41887 0.42493 0.42947 0.43041 0.44533 0.45068 0.45729 0.46235 0.46663 0.47285 0.48055 0.48471 0.49498 0.49945 0.50668 0.51137 0.51818 0.52117 0.52571 0.53454 0.54798 0.55082 0.55538 0.56278 0.56775 0.57501 0.58168 0.58459 0.59537 0.60132 0.61006 0.61513 0.61764 0.62906 0.62995 0.64086 0.64638 0.64731 0.65005 0.65313 0.65601 0.66281 0.66717 0.67215 0.67720 0.67885 0.68406 0.68612 0.68796 0.69112 0.69672 0.70490 0.70843 0.71069 0.71851 0.72129 0.72235 0.72718 0.72898 0.73413 0.73824 0.74219 0.74717 0.75109 0.75716 0.75864 0.76755 0.77186 0.77636 0.78145 0.78694 0.79151 0.79497 0.80083 0.80562 0.81096 0.82050 0.82552 0.83097 0.84227 0.84570 0.86373 0.87621 0.89786 0.90333 0.91387 0.91859 0.93205 0.94497 0.95549 0.96354 0.96981 0.98376 0.99046 1.00137 1.01543 1.01694 1.02824 1.03427 1.03907 1.04594 1.05636 1.07080 1.08105 1.09087 1.10266 1.10695 1.11328 1.12797 1.14949 1.16061 1.17123 1.17701 1.18398 1.18904 1.20263 1.20706 1.22071 1.24090 1.25387 1.25809 1.27074 1.27488 1.27985 1.32354 1.33949 1.33995 1.34777 1.40235 1.41538 1.42792 1.44292 1.44886 1.45894 1.46905 1.47311 1.47402 1.48160 1.48576 1.48968 1.49391 1.50080 1.50915 1.51859 1.53112 1.53480 1.54666 1.54729 1.55663 1.56204 1.56776 1.57003 1.57822 1.58093 1.58625 1.59022 1.59174 1.60278 1.60885 1.61595 1.61809 1.62070 1.62826 1.64095 1.64421 1.64667 1.65199 1.65983 1.66440 1.66651 1.67044 1.67254 1.68091 1.69208 1.70618 1.71149 1.72248 1.72892 1.73622 1.74259 1.74747 1.75303 1.76117 1.76884 1.77151 1.77469 1.78290 1.79461 1.79948 1.80372 1.80644 1.81648 1.82308 1.82690 1.83251 1.83871 1.85039 1.85879 1.86942 1.88433 1.88550 1.90443 1.92406 1.93479 1.95087 1.96028 1.97735 1.98069 1.99230 2.00223 2.00727 2.01412 2.03420 2.04265 2.06601 2.07091 2.07965 2.08477 2.09159 2.10995 2.11266 2.12843 2.13354 2.14761 2.15249 2.15603 2.16224 2.17263 2.19255 2.20996 2.21298 2.23075 2.24279 2.25011 2.25383 2.25972 2.27697 2.30538 2.31514 2.32358 2.33268 2.34588 2.35303 2.36138 2.37427 2.38384 2.40987 2.41821 2.42126 2.44455 2.45719 2.46415 2.46631 2.47247 2.47407 2.48475 2.49733 2.50940 2.51467 2.51692 2.52351 2.52973 2.53703 2.54121 2.54629 2.55131 2.55615 2.55989 2.56416 2.57222 2.58761 2.58955 2.59529 2.59891 2.61148 2.61315 2.61621 2.62566 2.63505 2.63791 2.65463 2.66061 2.66221 2.67000 2.67569 2.67832 2.69408 2.70970 2.72040 2.72964 2.73753 2.76145 2.76366 2.77538 2.78125 2.79074 2.79497 2.80540 2.81098 2.81572 2.82395 2.83111 2.84657 2.85272 2.86254 2.87524 2.88613 2.89608 2.91184 2.92257 2.93822 2.95277 2.96134 2.96844 2.98227 2.98635 2.99684 3.01327 3.02238 3.02997 3.05502 3.06589 3.06829 3.07801 3.08779 3.11759 3.14698 3.16246 3.18180 3.19283 3.19628 3.23217 3.25004 3.27815 3.30153 3.35285 3.37202 3.37642 3.41408 3.46489 3.52413 3.55093 3.60004 3.63749 3.67004 3.69762 3.79386 3.80485 3.81189 3.81297 3.81882 3.82542 3.82771 3.82844 3.83008 3.84362 3.86383 3.87222 3.87632 3.88258 3.90219 3.95745 4.02406 4.03719 4.06068 4.08943 4.13583 4.15181 4.23350 4.26711 4.28787 4.32828 4.33489 4.36527 4.43155 4.45510 4.53448 4.98991 5.05770 5.24344 5.37738 5.69320 5.88490 23.69620 23.83941 23.86321 23.86886 23.87091 23.89039 23.91992 23.94293 23.95083 23.97750 23.99163 23.99328 23.99745 24.00280 24.01021 24.19704 24.26777 49.90514 50.03064 1-A. 3.0274 0.2768 -1.7641 3.5148 -117.0507 -119.1056 -125.2202 -14.4729 7.3266 0.2852 3.4081 1.3532 -4.7614 -14.4729 7.3266 0.2852 -96.5423 -24.5600 -3.9242 1.1554 56.5557 -36.8924 3.7414 1.4699 0.7318 -15.7346 -7721.0966 -3425.6152 -675.1774 -324.9991 202.6430 -70.7970 -52.5649 14.0499 -10.7650 -1974.6457 -1582.5125 -700.5102 60.2704 -3.0801 -26.9200 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9474;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; 0.000000 2.256764 0.000000 7.982030 7.644630 0.000000 7.369849 7.080543 1.542472 0.000000 6.787546 6.960312 2.606893 1.534086 0.000000 6.373457 6.596979 3.948091 2.546735 1.532615 0.000000 6.046404 6.767337 5.176476 3.940174 2.589296 1.539160 0.000000 7.132935 6.910206 1.553586 2.576941 3.119792 4.457596 5.419295 0.000000 9.187118 9.056218 1.532686 2.556420 3.197584 4.639237 5.707385 2.525538 0.000000 4.761756 5.811848 5.480689 4.487712 3.161551 2.546548 1.535918 5.279667 6.157870 0.000000 6.393304 7.099382 6.454880 5.069117 3.916076 2.524326 1.533710 6.808594 7.029023 2.516923 0.000000 5.974147 5.504284 2.540308 2.968701 3.496879 4.452414 5.392620 1.496129 3.871201 5.031159 6.640433 0.000000 4.679263 4.481957 3.561057 3.565678 3.589243 4.238372 4.865120 2.506153 4.816724 4.180150 6.057151 1.343690 0.000000 3.622340 3.051014 4.789081 4.553056 4.581716 4.818808 5.337164 3.882595 6.154946 4.509963 6.258844 2.500144 1.461033 0.000000 4.423196 3.021474 5.226818 5.071325 5.483969 5.691022 6.440507 4.477048 6.706700 5.803311 7.229900 2.982875 2.548789 1.503568 0.000000 2.310822 2.419454 5.787366 5.356697 5.026598 4.985331 5.119908 4.891781 7.056518 4.019102 5.889098 3.669654 2.402024 1.360269 2.537928 0.000000 1.357587 1.226323 7.120699 6.568656 6.242420 5.938324 5.946588 6.300212 8.438972 4.832957 6.408179 5.003001 3.808335 2.529743 3.106240 1.460396 0.000000 1.455516 2.678027 9.346975 8.662411 8.093152 7.525846 7.126893 8.543385 10.584939 5.906271 7.227219 7.333433 6.071052 4.903769 5.448392 3.671996 2.401851 0.000000 2.391017 4.155860 10.213133 9.502921 8.726848 8.114290 7.441432 9.387995 11.330679 6.139415 7.461266 8.313615 6.994223 6.010223 6.763867 4.680895 3.662152 1.512002 0.000000 8.472630 7.849343 1.097353 2.133582 3.504247 4.668232 6.020244 2.148885 2.141425 6.356772 7.189823 2.815062 4.021758 5.083541 5.204986 6.226579 7.482186 9.789704 10.772348 0.000000 8.261962 7.898373 2.158648 1.096942 2.162499 2.842960 4.303720 3.510021 2.754889 5.146982 5.235476 3.982666 4.635401 5.536086 5.926355 6.325369 7.458988 9.499507 10.341586 2.453081 0.000000 6.746300 6.209925 2.154236 1.096236 2.146141 2.677814 4.107130 2.830798 3.480239 4.500448 5.080175 2.647485 3.151043 3.858114 4.186266 4.727443 5.829739 7.977370 8.936762 2.389895 1.752638 0.000000 6.086028 6.426545 2.773587 2.156582 1.091442 2.153200 2.765827 2.693942 3.454634 2.768993 4.230630 2.964493 2.818192 3.913609 5.009911 4.287340 5.596585 7.457304 8.052122 3.746985 3.057254 2.553780 0.000000 7.665673 7.994218 2.931393 2.172577 1.096031 2.159670 2.873854 3.580968 2.959617 3.624978 4.198064 4.294848 4.472054 5.574073 6.521947 5.976073 7.217034 8.979514 9.501263 3.900944 2.471920 3.056918 1.750565 0.000000 5.696275 5.672398 4.125818 2.711679 2.158176 1.098947 2.151851 4.505854 5.116564 2.727936 2.804518 4.146940 3.832389 4.128518 4.859315 4.307586 5.137502 6.793586 7.527748 4.678555 3.109575 2.378712 2.546498 3.060845 0.000000 7.325609 7.424239 4.299774 2.817962 2.155753 1.097316 2.163284 5.116329 4.833950 3.481661 2.655594 5.226180 5.184966 5.751035 6.469830 5.982873 6.863751 8.405211 9.001958 4.902618 2.673386 3.033917 3.052553 2.467102 1.756890 0.000000 6.892875 7.744617 5.318895 4.225379 2.758926 2.149557 1.098563 5.620746 5.552805 2.149660 2.145643 5.862708 5.441604 6.112492 7.277773 5.936555 6.856993 8.007185 8.208016 6.251839 4.507178 4.646427 2.970106 2.606643 3.047227 2.540643 0.000000 7.886752 7.578409 2.156380 3.493690 4.157387 5.535160 6.494590 1.096936 2.758899 6.320822 7.898381 2.130904 3.240746 4.546197 4.964964 5.628842 7.019459 9.291183 10.158264 2.400375 4.294652 3.751540 3.747618 4.495563 5.585347 6.146253 6.641057 0.000000 6.948136 7.076918 2.180801 2.930809 2.922164 4.306833 5.000681 1.094201 2.702476 4.745040 6.480169 2.133592 2.623771 4.084305 4.985053 4.845620 6.300903 8.393717 9.081170 3.053379 3.893564 3.363904 2.252395 3.208135 4.529497 5.062940 5.065327 1.761705 0.000000 9.776991 9.596940 2.179935 3.508147 4.202784 5.678772 6.711161 2.755913 1.094577 7.037349 8.072924 4.179809 5.240073 6.608673 7.080912 7.587106 8.995600 11.194175 11.960305 2.479301 3.746077 4.307836 4.298715 3.983220 6.100881 5.918793 6.542191 2.538157 2.993082 0.000000 8.993080 9.132837 2.182082 2.853545 2.928171 4.397034 5.216982 2.796751 1.094346 5.629801 6.605506 4.164722 4.865496 6.255279 7.028811 6.985206 8.390997 10.407198 11.019962 3.065143 3.159354 3.865466 3.071095 2.420729 5.043210 4.671193 4.900869 3.168076 2.523964 1.766969 0.000000 9.904029 9.700478 2.178518 2.786375 3.533629 4.792680 5.944139 3.488947 1.094483 6.635055 7.127363 4.702780 5.654777 6.911130 7.375599 7.809428 9.139190 11.265855 12.025876 2.494116 2.533380 3.741375 4.070421 3.176565 5.324301 4.735153 5.749562 3.746280 3.734383 1.770541 1.769251 0.000000 3.870840 4.783944 5.643617 4.609999 3.541312 2.794545 2.176012 5.369028 6.554025 1.096083 2.793769 4.817279 3.836813 3.830740 5.040901 3.217806 3.868349 4.985695 5.383832 6.393553 5.313030 4.357068 3.139040 4.250432 2.521894 3.744172 3.066365 6.412212 5.002139 7.413949 6.179116 7.048721 0.000000 4.864535 5.908546 4.910751 4.186570 2.871813 2.829797 2.196753 4.507828 5.526635 1.092867 3.484960 4.381370 3.552956 4.144618 5.536980 3.794681 4.854109 6.154912 6.424270 5.851757 4.988635 4.311021 2.161076 3.287337 3.097016 3.858770 2.501963 5.492125 3.846118 6.311579 4.944324 6.140983 1.767135 0.000000 4.895546 6.288776 6.497984 5.542062 4.152136 3.500170 2.180984 6.237154 7.072235 1.094602 2.736256 6.012227 5.077011 5.319950 6.659381 4.618212 5.254053 5.905800 5.865898 7.408939 6.166376 5.592892 3.741712 4.455635 3.734451 4.316617 2.508391 7.244072 5.603260 7.931274 6.445795 7.550807 1.770172 1.765176 0.000000 7.418682 7.965058 6.625752 5.183720 4.159914 2.772376 2.184901 7.208588 7.078088 3.480713 1.094617 7.166205 6.751998 7.034503 7.904091 6.800615 7.349109 8.234801 8.507184 7.305874 5.118882 5.282646 4.710772 4.290126 3.189078 2.448468 2.492984 8.281757 6.943452 8.157305 6.696212 7.008039 3.805586 4.344238 3.744237 0.000000 6.505750 7.507199 7.336928 6.022597 4.751380 3.487366 2.184682 7.574673 7.838228 2.751973 1.094668 7.413878 6.711742 6.872754 7.941375 6.322193 6.743010 7.240535 7.251215 8.134244 6.239720 6.071866 4.922598 4.929502 3.797873 3.684947 2.503286 8.653736 7.131035 8.858433 7.308118 7.982115 3.131859 3.753624 2.515814 1.770735 0.000000 5.817098 6.336963 6.640512 5.211314 4.263390 2.783308 2.175873 6.940814 7.421016 2.787081 1.096285 6.545848 5.896540 5.857029 6.694808 5.442644 5.774985 6.541752 6.894355 7.266149 5.415868 4.988196 4.533950 4.776500 2.618007 2.969516 3.064662 8.037127 6.736342 8.451614 7.123039 7.544502 2.616288 3.808222 3.101277 1.769889 1.769017 0.000000 6.375926 5.512262 2.886462 3.337656 4.197297 5.033138 6.123600 2.201558 4.310673 5.856659 7.251605 1.087433 2.110165 2.759405 2.647350 4.086467 5.247053 7.642082 8.760749 2.735139 4.194537 2.791153 3.858668 5.038909 4.579886 5.686194 6.673755 2.533305 3.085365 4.538234 4.825518 5.015864 5.518558 5.319357 6.869567 7.716130 8.094964 7.042930 0.000000 4.588380 4.908582 3.785793 3.729372 3.323532 4.002205 4.342850 2.706744 4.800237 3.496259 5.638616 2.091138 1.087620 2.165361 3.509220 2.553047 4.008732 6.036778 6.747918 4.486757 4.815181 3.567510 2.340268 4.067049 3.811796 5.033871 4.795767 3.504599 2.363317 5.270176 4.602505 5.681740 3.356563 2.697163 4.301438 6.395987 6.173451 5.626772 3.063274 0.000000 5.290017 3.951749 5.087951 5.248649 5.836957 6.288280 7.132232 4.221112 6.522897 6.523970 8.048788 2.790422 2.730531 2.144469 1.092210 3.329726 4.018576 6.337791 7.625687 4.942640 6.110538 4.452319 5.339249 6.810101 5.555542 7.048211 7.880135 4.476196 4.844959 6.734777 6.934812 7.240622 5.871178 6.114372 7.406772 8.684701 8.785996 7.594632 2.244417 3.759149 0.000000 4.079075 2.310430 6.307915 6.086560 6.417183 6.469800 7.092792 5.536575 7.787564 6.351501 7.742700 4.040529 3.461159 2.162351 1.085664 2.709506 2.744448 4.880280 6.286666 6.276074 6.916474 5.166279 5.923773 7.470840 5.568549 7.251045 7.990092 5.998745 5.990119 8.161207 8.085293 8.451414 5.478739 6.175230 7.109601 8.468007 8.385110 7.103738 3.708737 4.308208 1.773730 0.000000 4.970128 3.447605 4.942833 4.603590 5.180216 5.266062 6.187027 4.519567 6.469960 5.795248 6.869117 3.112549 2.935285 2.138737 1.095529 3.141839 3.651971 5.934186 7.272107 4.811054 5.320166 3.599852 4.920760 6.247736 4.359323 5.906055 7.065436 5.090889 5.144626 6.933066 6.881399 6.999042 5.025973 5.658380 6.726241 7.429008 7.679025 6.284515 2.610203 3.917355 1.758972 1.766602 0.000000 2.391752 3.299654 5.791275 5.346116 4.731931 4.713960 4.587524 4.865288 6.899619 3.300376 5.449945 3.895152 2.555949 2.103772 3.500842 1.083959 2.145715 3.845263 4.530250 6.401711 6.337815 4.909135 3.881974 5.564599 4.235247 5.776366 5.295931 5.651183 4.579134 7.458541 6.662521 7.683510 2.667089 2.975976 3.778541 6.421912 5.760164 5.162930 4.551529 2.225976 4.185769 3.777051 4.055898 0.000000 2.078564 2.624937 9.425401 8.606761 8.092077 7.363486 7.022213 8.777468 10.708138 5.972529 6.934339 7.539910 6.343587 5.123578 5.515818 3.991813 2.659267 1.092178 2.170139 9.814910 9.355315 7.856640 7.585747 9.013008 6.553421 8.146042 7.976791 9.581559 8.706438 11.381833 10.582327 11.303321 4.975102 6.377088 6.023134 7.877846 6.993145 6.128979 7.766741 6.398063 6.493950 4.926269 5.813601 4.285432 0.000000 2.078919 2.648224 9.778331 9.213619 8.769865 8.313780 8.031290 8.882602 11.063319 6.797888 8.211278 7.595521 6.377885 5.117136 5.455576 4.014232 2.674087 1.092200 2.170296 10.145466 10.083274 8.479273 8.095140 9.690180 7.537744 9.208894 8.915401 9.537333 8.800055 11.596931 10.947646 11.785041 5.869358 6.942830 6.863379 9.207394 8.278647 7.510646 7.809738 6.454128 6.246358 4.730031 6.044517 4.351218 1.773801 0.000000 2.653339 4.571804 9.965025 9.150236 8.250414 7.531114 6.713775 9.246597 11.011163 5.459852 6.626703 8.277051 6.961124 6.113366 7.002356 4.766598 3.938031 2.159349 1.092805 10.590762 9.938087 8.654067 7.632984 8.962019 7.026110 8.379380 7.443368 10.089875 8.876027 11.707394 10.636945 11.655336 4.779704 5.863429 5.065899 7.669343 6.319933 6.112241 8.800189 6.610664 7.914191 6.659892 7.409630 4.453289 2.513717 3.077917 0.000000 2.654029 4.585945 10.300531 9.724768 8.917767 8.464710 7.765211 9.346995 11.357865 6.353964 7.955852 8.328266 6.992845 6.108456 6.955535 4.785872 3.948644 2.159847 1.092827 10.898879 10.627977 9.224626 8.140661 9.644328 7.954317 9.418262 8.443497 10.048134 8.968295 11.917333 11.001397 12.124340 5.706614 6.475463 6.042564 9.032421 7.721046 7.499833 8.838748 6.665308 7.712516 6.516462 7.593195 4.517022 3.078160 2.514651 1.777651 0.000000 3.344072 4.782492 11.229730 10.482609 9.729300 9.042820 8.358456 10.427950 12.374469 7.115704 8.245884 9.313513 8.008692 6.953053 7.581227 5.654573 4.508000 2.138138 1.093135 11.756777 11.291531 9.876274 9.092060 10.514871 8.421030 9.885001 9.142587 11.195446 10.151155 13.014382 12.080985 13.049310 6.342309 7.464548 6.804610 9.261583 7.992923 7.622645 9.705666 7.810028 8.453238 7.003783 8.058560 5.585980 2.505307 2.505279 1.772435 1.772179 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:-3.8667,-.1085,-.4818;-3.5184,-1.524,1.241;4.025,-1.1818,.0493;3.3859,-.0109,.8237;2.7947,1.1149,-.0344;1.9714,2.1067,.7948;1.202,3.1565,-.0268;3.0323,-1.8634,-.9324;5.2944,-.7642,-.7014;.0866,2.5177,-.8675;.6181,4.2353,.8938;1.7245,-2.2043,-.2907;.5565,-1.6287,-.6223;-.7212,-1.8214,.0596;-.8041,-2.8485,1.1545;-1.7477,-1.0175,-.328;-3.0893,-.9512,.2453;-5.234,.0953,-.0263;-5.8817,1.0818,-.9716;4.3075,-1.935,.7957;4.1358,.4065,1.507;2.5876,-.4135,1.4579;2.1589,.6821,-.8088;3.5933,1.6534,-.5573;1.246,1.5501,1.4043;2.6363,2.6197,1.5011;1.913,3.6403,-.7103;3.5085,-2.7788,-1.3046;2.8655,-1.2144,-1.7975;5.7663,-1.6253,-1.1849;5.0705,-.0281,-1.4795;6.0242,-.319,-.018;-.6297,1.998,-.2209;.4739,1.7902,-1.5853;-.4622,3.2788,-1.4312;1.4028,4.7346,1.4709;.0816,4.9993,.322;-.0897,3.7928,1.6045;1.7679,-2.9154,.5309;.5519,-.9014,-1.4309;-.2843,-3.7627,.8593;-1.83,-3.0918,1.4133;-.3049,-2.4719,2.0541;-1.577,-.3198,-1.1398;-5.2055,.4723,.9984;-5.748,-.8683,-.0286;-5.3512,2.0372,-.9634;-5.8951,.6943,-1.9933;-6.9136,1.2583,-.6572; 0.4301220 0.1766774 0.1360267 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= 613 613 613 613 613 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= 1.62D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.54D-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= 612 608 612 612 612 MxSgAt= 49 MxSgA2= 49. 1 1.19106923e+00 1.08890798e-01 -6.94048249e-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 0.003552949 0.009513191 0.009812068 0.005670606 -0.012360471 -0.012999310 -0.002111784 -0.001607216 -0.001392008 0.000240812 0.000266236 -0.003727657 0.000694808 0.000162533 0.002826786 -0.000843553 -0.000416814 -0.002072577 -0.000734535 0.001205134 0.000165676 0.000742952 -0.001648612 0.003177584 -0.004052387 0.001184137 0.001497978 0.002422595 -0.001217508 0.003817797 0.000882899 0.003329845 -0.002217431 -0.002300334 -0.002382285 -0.000009874 0.002627162 0.000904348 0.001080408 -0.005067377 -0.000126102 0.000439443 0.001492184 -0.003274982 -0.003599197 0.004011051 0.002072121 0.001837112 -0.015151903 0.003475403 0.003908272 0.011122664 -0.001369392 -0.002016380 0.002455605 0.001730887 0.001700832 -0.000235941 -0.001051324 -0.000728209 -0.001107664 0.000834708 -0.000635414 0.001001072 -0.000634386 0.000040355 0.000242291 -0.000553465 -0.000322977 -0.000859967 0.000650040 0.000245662 0.001331623 -0.000643989 -0.000281271 -0.000951989 0.000579474 -0.000770110 -0.001066275 0.000499315 0.000591307 -0.001100558 -0.001165979 0.000508252 0.000082689 0.001040234 0.000315967 -0.000718652 -0.001719053 0.001059148 0.000843119 0.001231026 0.001135399 -0.001043538 0.001004251 -0.001573411 0.001131533 -0.001044494 -0.001513330 -0.000842915 -0.001029678 0.001023593 0.000715370 0.002019317 0.000497247 -0.001741015 0.000403288 -0.001350259 0.000961000 0.001652346 0.001209499 0.001515745 -0.001488658 -0.000882737 -0.000503140 -0.000101844 -0.000579715 0.000184137 0.000747403 0.000376404 -0.001209750 -0.001210763 0.001062052 0.002549580 0.000253052 0.000187812 -0.001323603 0.000952452 -0.001226364 0.001567400 0.000244720 0.000140582 -0.002271053 -0.000005402 -0.001076904 -0.002242476 -0.001231169 0.000050016 -0.001585048 0.001679654 -0.000710073 -0.001405912 -0.000895553 0.001667915 0.002429521 -0.000455975 -0.000689959 0.015151903 0.002933526 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -816.615226908129 -816.615228163660 -0.000001255531 -816.615228168773 -0.000000005113 -816.615228178113 -0.000000009340 -816.615228178838 -0.000000000725 -816.615228178993 -0.000000000155 -816.615228178939 0.000000000054 -816.615228178983 -0.000000000044 -816.615228179 8 8.127701265850e+02 -4.827648430560e+03 1.733416203002e+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) PT293701.200S 2024-09-21T00:31:12.000 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 -0.127864 -0.435270 0.248912 -0.407377 0.005665 -0.540166 0.367843 -0.597263 -0.738851 -0.622945 -0.659642 -0.186905 0.303997 0.671678 -0.814982 -0.496601 -0.045140 0.005322 -0.553923 0.147691 0.151297 0.145978 0.120305 0.140194 0.145609 0.142110 0.132050 0.172493 0.161740 0.146335 0.154995 0.153285 0.146949 0.146624 0.141362 0.142562 0.142952 0.145400 0.171083 0.144054 0.181326 0.171208 0.180637 0.164180 0.177837 0.176525 0.154818 0.154833 0.167081 -0.00000 -19.16766 -19.11514 -10.30781 -10.22233 -10.20834 -10.17918 -10.17576 -10.17038 -10.16737 -10.16247 -10.16190 -10.16021 -10.15864 -10.15082 -10.14976 -10.14807 -10.14766 -10.14615 -10.14499 -1.10588 -1.01958 -0.84002 -0.81633 -0.79935 -0.78033 -0.75958 -0.73470 -0.71209 -0.68210 -0.67377 -0.66533 -0.64812 -0.60515 -0.59644 -0.56382 -0.54962 -0.53632 -0.53365 -0.50580 -0.49236 -0.48075 -0.47188 -0.46621 -0.45531 -0.44263 -0.43274 -0.43130 -0.42495 -0.41447 -0.41311 -0.40710 -0.40036 -0.39316 -0.38820 -0.37766 -0.37575 -0.37316 -0.36724 -0.36161 -0.35797 -0.35486 -0.35293 -0.35159 -0.33753 -0.32968 -0.32531 -0.31435 -0.31166 -0.30970 -0.30883 -0.29943 -0.29216 -0.28695 -0.23591 -0.06961 0.00535 0.01360 0.01576 0.02011 0.02510 0.02794 0.03149 0.03669 0.03764 0.04081 0.04606 0.04855 0.05225 0.05497 0.06072 0.06288 0.06627 0.06884 0.06953 0.07358 0.07872 0.07899 0.08530 0.08843 0.09080 0.09567 0.09775 0.10020 0.10344 0.10605 0.10896 0.10984 0.11711 0.11972 0.12178 0.12402 0.12964 0.13049 0.13325 0.13906 0.14268 0.14474 0.14541 0.15278 0.15657 0.16004 0.16401 0.16699 0.16840 0.17515 0.17679 0.18372 0.18431 0.18690 0.19034 0.19497 0.19626 0.20044 0.20062 0.20244 0.20354 0.20558 0.20810 0.21086 0.21324 0.21657 0.21823 0.22098 0.22343 0.22480 0.22814 0.23149 0.23267 0.23550 0.23782 0.24051 0.24090 0.24217 0.25012 0.25311 0.25493 0.25912 0.26037 0.26367 0.26508 0.26770 0.27020 0.27228 0.27640 0.27803 0.27997 0.28276 0.28647 0.29079 0.29223 0.29540 0.30146 0.30475 0.30492 0.30846 0.31214 0.31598 0.31990 0.32464 0.33074 0.33218 0.33862 0.34356 0.34760 0.35574 0.35713 0.36561 0.37281 0.38135 0.38421 0.38730 0.39618 0.39875 0.40435 0.41486 0.41737 0.42352 0.42742 0.43303 0.44030 0.45157 0.45278 0.45790 0.46507 0.47718 0.48425 0.48683 0.48849 0.49761 0.50384 0.51362 0.51553 0.52339 0.53135 0.53538 0.54062 0.54281 0.55337 0.55950 0.56876 0.57332 0.57739 0.58806 0.59071 0.59984 0.60799 0.61761 0.62177 0.62985 0.63056 0.63408 0.64009 0.64265 0.65172 0.65369 0.65720 0.66260 0.66648 0.66934 0.67217 0.67793 0.68409 0.68496 0.68926 0.69477 0.69872 0.70590 0.71175 0.71587 0.72143 0.72275 0.72431 0.72826 0.73097 0.73625 0.73964 0.74128 0.74246 0.75589 0.75900 0.76236 0.76709 0.77675 0.78192 0.78484 0.78934 0.79220 0.79733 0.80164 0.81091 0.81629 0.81749 0.82351 0.83800 0.84090 0.86125 0.86237 0.87340 0.89435 0.90550 0.91002 0.91913 0.93103 0.94196 0.95637 0.96098 0.97534 0.98718 0.99972 1.00391 1.01198 1.02524 1.02923 1.03620 1.04428 1.06037 1.07059 1.07930 1.09062 1.09573 1.10631 1.11343 1.11940 1.12095 1.13734 1.16239 1.16872 1.18547 1.18959 1.19187 1.19667 1.21153 1.22949 1.23624 1.25650 1.25799 1.26929 1.27196 1.28123 1.32011 1.32997 1.34463 1.35073 1.40146 1.41607 1.42936 1.44837 1.44917 1.46370 1.46476 1.46818 1.47686 1.48277 1.48883 1.49561 1.49972 1.50351 1.51367 1.53096 1.53363 1.53767 1.54021 1.54234 1.55206 1.56417 1.56781 1.57067 1.57564 1.58607 1.58662 1.59252 1.59289 1.60009 1.60642 1.61385 1.61704 1.62398 1.62739 1.63358 1.64151 1.64693 1.65096 1.65638 1.66030 1.66539 1.66729 1.67296 1.68151 1.68898 1.69653 1.70660 1.71164 1.72169 1.73051 1.73858 1.74297 1.74962 1.75578 1.76014 1.76614 1.77112 1.77905 1.78323 1.79148 1.79992 1.80366 1.81251 1.81553 1.82221 1.83361 1.83625 1.85329 1.86199 1.87331 1.88203 1.88438 1.90514 1.92326 1.93154 1.94847 1.95299 1.96434 1.97951 1.99527 2.00343 2.00587 2.01342 2.03390 2.04767 2.05884 2.07113 2.08237 2.08559 2.08652 2.10183 2.11020 2.11457 2.12334 2.13549 2.14164 2.14943 2.15808 2.17391 2.18308 2.19774 2.20667 2.22284 2.22765 2.24087 2.25185 2.25594 2.27719 2.27984 2.31188 2.31478 2.32622 2.34032 2.35132 2.36197 2.37472 2.37857 2.40472 2.41042 2.42337 2.44206 2.45034 2.45649 2.46502 2.46883 2.47425 2.47590 2.48963 2.50504 2.50931 2.51547 2.52025 2.52699 2.53096 2.54440 2.54806 2.55390 2.56196 2.56530 2.56983 2.57484 2.58764 2.59127 2.59455 2.59885 2.60802 2.61691 2.62341 2.63051 2.63266 2.64814 2.65537 2.66160 2.66854 2.66973 2.67748 2.68529 2.68640 2.70508 2.71879 2.73185 2.73478 2.74256 2.75935 2.76663 2.77672 2.78354 2.79727 2.80331 2.81568 2.81824 2.82697 2.82886 2.84489 2.84674 2.86276 2.87501 2.88467 2.88991 2.90687 2.91815 2.92077 2.94351 2.95587 2.96790 2.97490 2.97903 2.98876 3.00384 3.01379 3.02575 3.04323 3.05244 3.06189 3.07468 3.07818 3.09930 3.13659 3.14615 3.16498 3.17502 3.19753 3.21450 3.23664 3.28063 3.29099 3.32564 3.35519 3.36013 3.40098 3.44034 3.49363 3.53682 3.58492 3.61235 3.65702 3.68888 3.78937 3.79967 3.80649 3.80889 3.81531 3.81793 3.82249 3.82461 3.82596 3.83853 3.85317 3.86728 3.87336 3.87762 3.89227 3.95794 4.00913 4.02251 4.05200 4.07709 4.12200 4.14026 4.21759 4.25569 4.27575 4.30159 4.31496 4.34592 4.41145 4.43592 4.51738 4.99807 5.06469 5.23301 5.36751 5.65681 5.86185 23.69474 23.83732 23.84528 23.85199 23.85552 23.87461 23.91041 23.92856 23.94421 23.96443 23.98017 23.98157 23.98317 23.98829 24.00355 24.16599 24.24319 49.90399 50.01557 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 -0.134058 -0.429391 0.260251 -0.422311 -0.006469 -0.479640 0.320139 -0.722100 -0.740436 -0.600963 -0.648383 -0.077637 0.192133 0.588048 -0.761265 -0.415269 -0.025409 0.017752 -0.556957 0.148716 0.151028 0.146356 0.111401 0.142828 0.142607 0.141083 0.130066 0.171389 0.166654 0.146266 0.157060 0.153762 0.150689 0.145809 0.142874 0.143425 0.144656 0.147351 0.169517 0.143370 0.173976 0.172764 0.192736 0.168597 0.177951 0.178317 0.155342 0.156531 0.168844 -0.00000 1.23944475e+00 2.36333953e-01 -6.76067810e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.1504 0.6007 -1.7184 3.6385 -112.5189 -121.4778 -126.1453 -12.9023 6.6507 0.8099 7.5284 -1.4305 -6.0979 -12.9023 6.6507 0.8099 -102.1262 -19.0726 -4.3027 13.9660 30.5865 -25.3926 6.2977 3.7336 -0.8744 -16.0095 -6881.0036 -3091.0626 -648.6452 -190.1936 131.6383 -41.0829 -47.5032 17.3672 -9.0733 -1784.2638 -1430.1717 -642.1512 69.1143 27.0631 -23.6010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -816.6152282 2.784E-9 1.082E-6 8.09106,-4.0162219,-4.0748381,8.5702678,4.4085238,-1.1622569 C01 [X(C17H30O2)] -1.2058054 0.4775285 0.6059247 0.000000335 0.000003706 0.000000354 -0.000001483 0.000002757 0.000002886 0.000000411 -0.000000816 0.000001109 0.000000299 0.000000373 -0.000000154 0.000000503 -0.000000445 0.000001027 0.000000801 0.000001066 0.000002145 -0.000001086 -0.000000639 -0.000000873 -0.000000793 -0.000000532 -0.000000972 -0.000000267 -0.000000737 0.000000989 -0.000000704 0.000002792 0.000000007 -0.000000873 -0.000001165 0.000001053 0.000001756 0.000001482 0.000000441 -0.000000732 0.000000259 -0.000001802 0.000001889 -0.000001675 0.000001063 -0.000000496 0.000001309 0.000000151 -0.000001763 0.000000898 0.000000610 -0.000000214 -0.000005047 -0.000006037 0.000000794 -0.000000012 0.000000345 -0.000000602 -0.000000234 -0.000000948 0.000000722 -0.000000332 0.000000975 -0.000000095 -0.000000017 0.000000416 -0.000000311 -0.000000253 -0.000000237 -0.000000481 0.000000918 -0.000001269 -0.000000157 -0.000000144 0.000000878 0.000000057 -0.000000063 0.000000165 -0.000000498 -0.000000365 -0.000000113 0.000000210 0.000000820 0.000000185 0.000000091 -0.000000602 0.000000688 -0.000000246 -0.000000822 0.000000542 -0.000000040 -0.000000404 0.000000913 0.000000260 -0.000000296 0.000000423 0.000000191 -0.000000471 0.000000569 0.000000628 -0.000001436 0.000000134 0.000000896 -0.000000813 -0.000000676 -0.000000494 0.000000026 0.000000422 -0.000000715 0.000000181 0.000000184 -0.000000150 -0.000000118 0.000000216 -0.000000759 0.000000040 -0.000000207 -0.000000079 -0.000000756 -0.000000067 0.000000546 0.000000011 0.000000024 0.000000119 0.000000412 -0.000000279 0.000000589 0.000000110 -0.000000241 -0.000000056 -0.000000138 -0.000000590 0.000000816 -0.000000800 0.000000013 0.000000387 0.000000719 -0.000000784 0.000000331 0.000000396 -0.000001099 -0.000000002 0.000000297 -0.000000699 0.000000263 0.000000184 -0.000000798 0.000000199 0.000000374 -0.000001078 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9473;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; Gaussian 16 GINC-HAMILTON27 ALCAMI Optimization Hydroprene CONF286 water 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9474;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; Optimization Hydroprene CONF286 water 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 1.3576 1.4555 1.2263 1.5425 1.5536 1.5327 1.0974 1.5341 1.0969 1.0962 1.5326 1.0914 1.096 1.5392 1.0989 1.0973 1.5359 1.5337 1.0986 1.4961 1.0969 1.0942 1.0946 1.0943 1.0945 1.0961 1.0929 1.0946 1.0946 1.0947 1.0963 1.3437 1.0874 1.461 1.0876 1.5036 1.3603 1.0922 1.0857 1.0955 1.4604 1.084 1.512 1.0922 1.0922 1.0928 1.0928 1.0931 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 49 117.2143 112.6772 112.4674 106.6289 109.8308 107.0528 107.8733 115.8469 108.5625 108.2627 109.432 108.2044 106.0945 112.2895 109.2887 110.2765 109.1254 109.3649 106.3113 114.9018 109.08 108.9856 108.1494 109.1247 106.2496 111.8131 110.4679 107.9952 110.1583 108.2205 108.0601 112.7957 107.6439 109.6804 109.5634 109.9389 107.0303 111.0451 111.2305 110.9378 107.6528 107.9603 107.8622 110.4173 112.2714 110.8997 107.6655 107.8107 107.5978 111.3671 111.3466 110.5482 107.9614 107.7699 107.689 123.8038 115.9909 120.0818 126.0496 118.2722 115.5609 118.568 116.681 124.7236 110.4047 112.2536 109.7511 109.0621 107.0301 108.1763 127.4612 118.355 114.1711 121.6276 110.1217 128.2426 107.3463 108.5042 108.5309 111.874 111.8855 108.5913 110.9654 111.004 109.2629 108.8462 108.355 108.3306 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 0.3482 -178.698 178.9584 57.8851 -59.9393 -57.523 178.9292 64.1727 67.2735 -56.2742 -171.0308 -174.6838 61.7685 -52.9881 -49.3719 -170.3575 73.5283 -175.598 63.4164 -52.6978 67.5374 -53.4482 -169.5624 176.07 -64.0586 56.0055 -57.5852 62.2863 -177.6496 58.7641 178.6356 -61.3003 169.9993 48.7601 -67.76 -66.9083 171.8524 55.3323 48.2725 -72.9667 170.5132 -172.4977 -50.8997 64.7029 -51.1649 70.4331 -173.9643 64.7459 -173.6561 -58.0535 66.8038 -170.131 -52.1509 -55.2988 67.7664 -174.2535 -170.4714 -47.4061 70.574 59.5272 -60.6287 178.9667 -63.7135 176.1307 55.7261 178.3483 58.1925 -62.2121 58.4795 179.0388 -61.2984 -177.4978 -56.9385 62.7242 -59.4608 61.0985 -179.2387 113.7011 -62.2505 -126.413 57.6354 -9.0548 174.9936 -173.3249 2.5495 2.4695 178.3439 -6.2722 171.9132 177.7553 -4.0593 -43.3398 -165.2583 74.408 138.6329 16.7144 -103.6193 -175.9279 2.6914 2.1332 -179.2476 -174.8957 6.1383 6.4361 -172.5298 -60.5813 60.5946 -179.9966 58.3454 179.5213 -61.0698 -179.5474 -58.3715 61.0373 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00053 0.00125 0.00160 0.00275 0.00277 0.00283 0.00316 0.00327 0.00385 0.00399 0.00439 0.00470 0.00791 0.01046 0.01528 0.01838 0.01947 0.02043 0.02269 0.02627 0.02834 0.03495 0.03605 0.03696 0.03750 0.03834 0.03839 0.03942 0.04146 0.04225 0.04264 0.04304 0.04339 0.04379 0.04433 0.04458 0.04506 0.04535 0.04566 0.04569 0.04637 0.04644 0.04767 0.05395 0.05681 0.06161 0.06268 0.07124 0.07138 0.07443 0.07504 0.07610 0.09480 0.09814 0.11068 0.11657 0.11765 0.11948 0.11967 0.12049 0.12077 0.12152 0.12350 0.12756 0.13082 0.13248 0.13335 0.13349 0.13497 0.13632 0.13937 0.14141 0.14387 0.14699 0.14741 0.16440 0.17161 0.17330 0.17535 0.17747 0.18079 0.18096 0.18572 0.19250 0.19772 0.21858 0.22413 0.22761 0.23762 0.23853 0.24766 0.26485 0.26696 0.27024 0.27915 0.28563 0.29116 0.29306 0.29485 0.30385 0.30735 0.31591 0.31696 0.32017 0.32030 0.32124 0.32271 0.32411 0.32456 0.32606 0.32703 0.32844 0.32902 0.32947 0.32965 0.32985 0.33134 0.33185 0.33422 0.33460 0.33561 0.33610 0.33711 0.33810 0.33927 0.34005 0.34120 0.34253 0.34449 0.34885 0.35016 0.35060 0.35826 0.36396 0.38155 0.40370 0.42764 0.45921 0.58309 0.59870 0.74787 Angle between quadratic step and forces= 77.81 degrees. 1 2 0.00026487 0.00000003 0.00000002 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 2.56547 2.75053 2.31742 2.91485 2.93585 2.89636 2.07370 2.89900 2.07292 2.07159 2.89622 2.06253 2.07120 2.90859 2.07671 2.07363 2.90246 2.89829 2.07598 2.82727 2.07291 2.06774 2.06845 2.06801 2.06827 2.07130 2.06522 2.06850 2.06853 2.06862 2.07168 2.53921 2.05495 2.76095 2.05530 2.84133 2.57054 2.06398 2.05161 2.07025 2.75975 2.04839 2.85727 2.06392 2.06396 2.06510 2.06514 2.06572 2.04578 1.96659 1.96293 1.86103 1.91691 1.86842 1.88274 2.02191 1.89477 1.88954 1.90995 1.88852 1.85170 1.95982 1.90745 1.92469 1.90460 1.90878 1.85548 2.00541 1.90381 1.90216 1.88756 1.90458 1.85441 1.95151 1.92803 1.88487 1.92263 1.88880 1.88600 1.96866 1.87874 1.91428 1.91224 1.91880 1.86803 1.93810 1.94134 1.93623 1.87890 1.88426 1.88255 1.92714 1.95950 1.93557 1.87912 1.88165 1.87794 1.94372 1.94336 1.92943 1.88428 1.88094 1.87953 2.16078 2.02442 2.09582 2.19998 2.06424 2.01692 2.06940 2.03647 2.17684 1.92692 1.95919 1.91552 1.90349 1.86803 1.88803 2.22462 2.06568 1.99266 2.12280 1.92199 2.23826 1.87355 1.89376 1.89422 1.95257 1.95277 1.89528 1.93671 1.93739 1.90700 1.89972 1.89115 1.89073 0.00608 -3.11887 3.12341 1.01028 -1.04614 -1.00397 3.12290 1.12002 1.17414 -0.98217 -2.98505 -3.04881 1.07806 -0.92482 -0.86170 -2.97330 1.28331 -3.06476 1.10682 -0.91975 1.17875 -0.93285 -2.95942 3.07300 -1.11803 0.97748 -1.00505 1.08710 -3.10057 1.02563 3.11778 -1.06989 2.96705 0.85102 -1.18264 -1.16777 2.99939 0.96573 0.84251 -1.27351 2.97602 -3.01065 -0.88837 1.12928 -0.89300 1.22929 -3.03625 1.13003 -3.03087 -1.01323 1.16595 -2.96935 -0.91020 -0.96515 1.18275 -3.04130 -2.97529 -0.82739 1.23175 1.03894 -1.05817 3.12356 -1.11201 3.07406 0.97260 3.11277 1.01565 -1.08581 1.02066 3.12482 -1.06986 -3.09792 -0.99377 1.09474 -1.03779 1.06637 -3.12831 1.98446 -1.08648 -2.20632 1.00593 -0.15804 3.05421 -3.02509 0.04450 0.04310 3.11269 -0.10947 3.00045 3.10241 -0.07085 -0.75642 -2.88430 1.29866 2.41960 0.29172 -1.80850 -3.07052 0.04697 0.03723 -3.12846 -3.05251 0.10713 0.11233 -3.01121 -1.05734 1.05757 -3.14153 1.01832 3.13324 -1.06587 -3.13369 -1.01878 1.06530 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 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 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00005 -0.00005 0.00013 0.00013 0.00013 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 0.00006 0.00006 0.00006 0.00006 0.00005 0.00006 0.00006 0.00005 0.00005 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00003 0.00004 0.00003 -0.00015 -0.00015 -0.00015 -0.00015 -0.00014 -0.00015 -0.00016 -0.00015 -0.00016 -0.00017 -0.00017 -0.00018 -0.00017 -0.00016 -0.00018 -0.00017 -0.00016 -0.00018 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 -0.00003 0.00007 0.00009 0.00008 0.00008 0.00010 0.00009 0.00009 0.00010 0.00010 0.00007 0.00007 0.00007 0.00006 0.00007 0.00007 0.00006 0.00006 0.00007 -0.00006 -0.00005 -0.00006 -0.00005 -0.00006 -0.00005 0.00003 0.00001 0.00002 0.00001 0.00003 -0.00002 0.00004 -0.00000 0.00020 0.00019 0.00021 0.00024 0.00024 0.00026 0.00006 0.00004 0.00002 -0.00001 -0.00011 -0.00011 -0.00009 -0.00008 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 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 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00005 -0.00005 0.00013 0.00013 0.00013 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 0.00006 0.00006 0.00006 0.00006 0.00005 0.00006 0.00006 0.00005 0.00005 0.00003 0.00003 0.00003 0.00004 0.00004 0.00004 0.00003 0.00004 0.00003 -0.00015 -0.00015 -0.00015 -0.00015 -0.00014 -0.00015 -0.00016 -0.00015 -0.00016 -0.00017 -0.00017 -0.00018 -0.00017 -0.00016 -0.00018 -0.00017 -0.00016 -0.00018 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00003 -0.00003 0.00007 0.00009 0.00008 0.00008 0.00010 0.00009 0.00009 0.00010 0.00010 0.00007 0.00007 0.00007 0.00006 0.00007 0.00007 0.00006 0.00006 0.00007 -0.00006 -0.00005 -0.00006 -0.00005 -0.00006 -0.00005 0.00003 0.00001 0.00002 0.00001 0.00003 -0.00002 0.00004 -0.00000 0.00020 0.00019 0.00021 0.00024 0.00024 0.00026 0.00006 0.00004 0.00002 -0.00001 -0.00011 -0.00011 -0.00009 -0.00008 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 2.56548 2.75053 2.31741 2.91485 2.93585 2.89636 2.07370 2.89901 2.07292 2.07159 2.89622 2.06252 2.07120 2.90858 2.07671 2.07363 2.90246 2.89829 2.07598 2.82727 2.07291 2.06774 2.06845 2.06801 2.06827 2.07130 2.06522 2.06850 2.06853 2.06862 2.07168 2.53920 2.05495 2.76095 2.05530 2.84133 2.57053 2.06397 2.05161 2.07025 2.75975 2.04838 2.85727 2.06392 2.06396 2.06510 2.06514 2.06573 2.04577 1.96659 1.96293 1.86102 1.91691 1.86842 1.88275 2.02192 1.89477 1.88954 1.90994 1.88853 1.85169 1.95981 1.90746 1.92469 1.90459 1.90879 1.85548 2.00544 1.90379 1.90216 1.88756 1.90458 1.85440 1.95151 1.92802 1.88488 1.92262 1.88880 1.88600 1.96865 1.87874 1.91429 1.91225 1.91880 1.86803 1.93811 1.94133 1.93623 1.87890 1.88426 1.88255 1.92715 1.95951 1.93557 1.87910 1.88166 1.87794 1.94372 1.94337 1.92943 1.88428 1.88094 1.87953 2.16079 2.02442 2.09582 2.19998 2.06424 2.01691 2.06941 2.03646 2.17683 1.92694 1.95919 1.91552 1.90349 1.86803 1.88802 2.22460 2.06569 1.99266 2.12280 1.92198 2.23826 1.87355 1.89376 1.89423 1.95257 1.95277 1.89527 1.93671 1.93739 1.90700 1.89972 1.89115 1.89073 0.00602 -3.11892 3.12354 1.01042 -1.04601 -1.00399 3.12288 1.12001 1.17412 -0.98219 -2.98506 -3.04883 1.07805 -0.92483 -0.86164 -2.97324 1.28337 -3.06471 1.10688 -0.91969 1.17881 -0.93279 -2.95937 3.07303 -1.11800 0.97751 -1.00501 1.08714 -3.10053 1.02566 3.11782 -1.06986 2.96690 0.85088 -1.18279 -1.16792 2.99925 0.96558 0.84236 -1.27366 2.97586 -3.01082 -0.88854 1.12910 -0.89316 1.22913 -3.03643 1.12986 -3.03103 -1.01340 1.16592 -2.96938 -0.91025 -0.96517 1.18271 -3.04134 -2.97531 -0.82742 1.23172 1.03902 -1.05808 3.12364 -1.11193 3.07416 0.97270 3.11285 1.01575 -1.08571 1.02073 3.12488 -1.06979 -3.09786 -0.99370 1.09481 -1.03772 1.06643 -3.12824 1.98440 -1.08653 -2.20638 1.00588 -0.15809 3.05417 -3.02506 0.04451 0.04312 3.11269 -0.10944 3.00044 3.10246 -0.07085 -0.75623 -2.88411 1.29887 2.41984 0.29196 -1.80824 -3.07046 0.04701 0.03725 -3.12847 -3.05262 0.10702 0.11224 -3.01130 -1.05733 1.05759 -3.14151 1.01834 3.13325 -1.06585 -3.13368 -1.01876 1.06531 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.001278 0.000265 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.097192e-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 1.3576 1.4555 1.2263 1.5425 1.5536 1.5327 1.0974 1.5341 1.0969 1.0962 1.5326 1.0914 1.096 1.5392 1.0989 1.0973 1.5359 1.5337 1.0986 1.4961 1.0969 1.0942 1.0946 1.0943 1.0945 1.0961 1.0929 1.0946 1.0946 1.0947 1.0963 1.3437 1.0874 1.461 1.0876 1.5036 1.3603 1.0922 1.0857 1.0955 1.4604 1.084 1.512 1.0922 1.0922 1.0928 1.0928 1.0931 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 49 117.2143 112.6772 112.4674 106.6289 109.8308 107.0528 107.8733 115.8469 108.5625 108.2627 109.432 108.2044 106.0945 112.2895 109.2887 110.2765 109.1254 109.3649 106.3113 114.9018 109.08 108.9856 108.1494 109.1247 106.2496 111.8131 110.4679 107.9952 110.1583 108.2205 108.0601 112.7957 107.6439 109.6804 109.5634 109.9389 107.0303 111.0451 111.2305 110.9378 107.6528 107.9603 107.8622 110.4173 112.2714 110.8997 107.6655 107.8107 107.5978 111.3671 111.3466 110.5482 107.9614 107.7699 107.689 123.8038 115.9909 120.0818 126.0496 118.2722 115.5609 118.568 116.681 124.7236 110.4047 112.2536 109.7511 109.0621 107.0301 108.1763 127.4612 118.355 114.1711 121.6276 110.1217 128.2426 107.3463 108.5042 108.5309 111.874 111.8855 108.5913 110.9654 111.004 109.2629 108.8462 108.355 108.3306 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.3482 -178.698 178.9584 57.8851 -59.9393 -57.523 178.9292 64.1727 67.2735 -56.2742 -171.0308 -174.6838 61.7685 -52.9881 -49.3719 -170.3575 73.5283 -175.598 63.4164 -52.6978 67.5374 -53.4482 -169.5624 176.07 -64.0586 56.0055 -57.5852 62.2863 -177.6496 58.7641 178.6356 -61.3003 169.9993 48.7601 -67.76 -66.9083 171.8524 55.3323 48.2725 -72.9667 170.5132 -172.4977 -50.8997 64.7029 -51.1649 70.4331 -173.9643 64.7459 -173.6561 -58.0535 66.8038 -170.131 -52.1509 -55.2988 67.7664 -174.2535 -170.4714 -47.4061 70.574 59.5272 -60.6287 178.9667 -63.7135 176.1307 55.7261 178.3483 58.1925 -62.2121 58.4795 179.0388 -61.2984 -177.4978 -56.9385 62.7242 -59.4608 61.0985 -179.2387 113.7011 -62.2505 -126.413 57.6354 -9.0548 174.9936 -173.3249 2.5495 2.4695 178.3439 -6.2722 171.9132 177.7553 -4.0593 -43.3398 -165.2583 74.408 138.6329 16.7144 -103.6193 -175.9279 2.6914 2.1332 -179.2476 -174.8957 6.1383 6.4361 -172.5298 -60.5813 60.5946 -179.9966 58.3454 179.5213 -61.0698 -179.5474 -58.3715 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 617 A 598 A 598 924 617 74 74 1464.8819299598 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 -0.0492550853 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 2.256764 0.000000 7.982030 7.644630 0.000000 7.369849 7.080543 1.542472 0.000000 6.787546 6.960312 2.606893 1.534086 0.000000 6.373457 6.596979 3.948091 2.546735 1.532615 0.000000 6.046404 6.767337 5.176476 3.940174 2.589296 1.539160 0.000000 7.132935 6.910206 1.553586 2.576941 3.119792 4.457596 5.419295 0.000000 9.187118 9.056218 1.532686 2.556420 3.197584 4.639237 5.707385 2.525538 0.000000 4.761756 5.811848 5.480689 4.487712 3.161551 2.546548 1.535918 5.279667 6.157870 0.000000 6.393304 7.099382 6.454880 5.069117 3.916076 2.524326 1.533710 6.808594 7.029023 2.516923 0.000000 5.974147 5.504284 2.540308 2.968701 3.496879 4.452414 5.392620 1.496129 3.871201 5.031159 6.640433 0.000000 4.679263 4.481957 3.561057 3.565678 3.589243 4.238372 4.865120 2.506153 4.816724 4.180150 6.057151 1.343690 0.000000 3.622340 3.051014 4.789081 4.553056 4.581716 4.818808 5.337164 3.882595 6.154946 4.509963 6.258844 2.500144 1.461033 0.000000 4.423196 3.021474 5.226818 5.071325 5.483969 5.691022 6.440507 4.477048 6.706700 5.803311 7.229900 2.982875 2.548789 1.503568 0.000000 2.310822 2.419454 5.787366 5.356697 5.026598 4.985331 5.119908 4.891781 7.056518 4.019102 5.889098 3.669654 2.402024 1.360269 2.537928 0.000000 1.357587 1.226323 7.120699 6.568656 6.242420 5.938324 5.946588 6.300212 8.438972 4.832957 6.408179 5.003001 3.808335 2.529743 3.106240 1.460396 0.000000 1.455516 2.678027 9.346975 8.662411 8.093152 7.525846 7.126893 8.543385 10.584939 5.906271 7.227219 7.333433 6.071052 4.903769 5.448392 3.671996 2.401851 0.000000 2.391017 4.155860 10.213133 9.502921 8.726848 8.114290 7.441432 9.387995 11.330679 6.139415 7.461266 8.313615 6.994223 6.010223 6.763867 4.680895 3.662152 1.512002 0.000000 8.472630 7.849343 1.097353 2.133582 3.504247 4.668232 6.020244 2.148885 2.141425 6.356772 7.189823 2.815062 4.021758 5.083541 5.204986 6.226579 7.482186 9.789704 10.772348 0.000000 8.261962 7.898373 2.158648 1.096942 2.162499 2.842960 4.303720 3.510021 2.754889 5.146982 5.235476 3.982666 4.635401 5.536086 5.926355 6.325369 7.458988 9.499507 10.341586 2.453081 0.000000 6.746300 6.209925 2.154236 1.096236 2.146141 2.677814 4.107130 2.830798 3.480239 4.500448 5.080175 2.647485 3.151043 3.858114 4.186266 4.727443 5.829739 7.977370 8.936762 2.389895 1.752638 0.000000 6.086028 6.426545 2.773587 2.156582 1.091442 2.153200 2.765827 2.693942 3.454634 2.768993 4.230630 2.964493 2.818192 3.913609 5.009911 4.287340 5.596585 7.457304 8.052122 3.746985 3.057254 2.553780 0.000000 7.665673 7.994218 2.931393 2.172577 1.096031 2.159670 2.873854 3.580968 2.959617 3.624978 4.198064 4.294848 4.472054 5.574073 6.521947 5.976073 7.217034 8.979514 9.501263 3.900944 2.471920 3.056918 1.750565 0.000000 5.696275 5.672398 4.125818 2.711679 2.158176 1.098947 2.151851 4.505854 5.116564 2.727936 2.804518 4.146940 3.832389 4.128518 4.859315 4.307586 5.137502 6.793586 7.527748 4.678555 3.109575 2.378712 2.546498 3.060845 0.000000 7.325609 7.424239 4.299774 2.817962 2.155753 1.097316 2.163284 5.116329 4.833950 3.481661 2.655594 5.226180 5.184966 5.751035 6.469830 5.982873 6.863751 8.405211 9.001958 4.902618 2.673386 3.033917 3.052553 2.467102 1.756890 0.000000 6.892875 7.744617 5.318895 4.225379 2.758926 2.149557 1.098563 5.620746 5.552805 2.149660 2.145643 5.862708 5.441604 6.112492 7.277773 5.936555 6.856993 8.007185 8.208016 6.251839 4.507178 4.646427 2.970106 2.606643 3.047227 2.540643 0.000000 7.886752 7.578409 2.156380 3.493690 4.157387 5.535160 6.494590 1.096936 2.758899 6.320822 7.898381 2.130904 3.240746 4.546197 4.964964 5.628842 7.019459 9.291183 10.158264 2.400375 4.294652 3.751540 3.747618 4.495563 5.585347 6.146253 6.641057 0.000000 6.948136 7.076918 2.180801 2.930809 2.922164 4.306833 5.000681 1.094201 2.702476 4.745040 6.480169 2.133592 2.623771 4.084305 4.985053 4.845620 6.300903 8.393717 9.081170 3.053379 3.893564 3.363904 2.252395 3.208135 4.529497 5.062940 5.065327 1.761705 0.000000 9.776991 9.596940 2.179935 3.508147 4.202784 5.678772 6.711161 2.755913 1.094577 7.037349 8.072924 4.179809 5.240073 6.608673 7.080912 7.587106 8.995600 11.194175 11.960305 2.479301 3.746077 4.307836 4.298715 3.983220 6.100881 5.918793 6.542191 2.538157 2.993082 0.000000 8.993080 9.132837 2.182082 2.853545 2.928171 4.397034 5.216982 2.796751 1.094346 5.629801 6.605506 4.164722 4.865496 6.255279 7.028811 6.985206 8.390997 10.407198 11.019962 3.065143 3.159354 3.865466 3.071095 2.420729 5.043210 4.671193 4.900869 3.168076 2.523964 1.766969 0.000000 9.904029 9.700478 2.178518 2.786375 3.533629 4.792680 5.944139 3.488947 1.094483 6.635055 7.127363 4.702780 5.654777 6.911130 7.375599 7.809428 9.139190 11.265855 12.025876 2.494116 2.533380 3.741375 4.070421 3.176565 5.324301 4.735153 5.749562 3.746280 3.734383 1.770541 1.769251 0.000000 3.870840 4.783944 5.643617 4.609999 3.541312 2.794545 2.176012 5.369028 6.554025 1.096083 2.793769 4.817279 3.836813 3.830740 5.040901 3.217806 3.868349 4.985695 5.383832 6.393553 5.313030 4.357068 3.139040 4.250432 2.521894 3.744172 3.066365 6.412212 5.002139 7.413949 6.179116 7.048721 0.000000 4.864535 5.908546 4.910751 4.186570 2.871813 2.829797 2.196753 4.507828 5.526635 1.092867 3.484960 4.381370 3.552956 4.144618 5.536980 3.794681 4.854109 6.154912 6.424270 5.851757 4.988635 4.311021 2.161076 3.287337 3.097016 3.858770 2.501963 5.492125 3.846118 6.311579 4.944324 6.140983 1.767135 0.000000 4.895546 6.288776 6.497984 5.542062 4.152136 3.500170 2.180984 6.237154 7.072235 1.094602 2.736256 6.012227 5.077011 5.319950 6.659381 4.618212 5.254053 5.905800 5.865898 7.408939 6.166376 5.592892 3.741712 4.455635 3.734451 4.316617 2.508391 7.244072 5.603260 7.931274 6.445795 7.550807 1.770172 1.765176 0.000000 7.418682 7.965058 6.625752 5.183720 4.159914 2.772376 2.184901 7.208588 7.078088 3.480713 1.094617 7.166205 6.751998 7.034503 7.904091 6.800615 7.349109 8.234801 8.507184 7.305874 5.118882 5.282646 4.710772 4.290126 3.189078 2.448468 2.492984 8.281757 6.943452 8.157305 6.696212 7.008039 3.805586 4.344238 3.744237 0.000000 6.505750 7.507199 7.336928 6.022597 4.751380 3.487366 2.184682 7.574673 7.838228 2.751973 1.094668 7.413878 6.711742 6.872754 7.941375 6.322193 6.743010 7.240535 7.251215 8.134244 6.239720 6.071866 4.922598 4.929502 3.797873 3.684947 2.503286 8.653736 7.131035 8.858433 7.308118 7.982115 3.131859 3.753624 2.515814 1.770735 0.000000 5.817098 6.336963 6.640512 5.211314 4.263390 2.783308 2.175873 6.940814 7.421016 2.787081 1.096285 6.545848 5.896540 5.857029 6.694808 5.442644 5.774985 6.541752 6.894355 7.266149 5.415868 4.988196 4.533950 4.776500 2.618007 2.969516 3.064662 8.037127 6.736342 8.451614 7.123039 7.544502 2.616288 3.808222 3.101277 1.769889 1.769017 0.000000 6.375926 5.512262 2.886462 3.337656 4.197297 5.033138 6.123600 2.201558 4.310673 5.856659 7.251605 1.087433 2.110165 2.759405 2.647350 4.086467 5.247053 7.642082 8.760749 2.735139 4.194537 2.791153 3.858668 5.038909 4.579886 5.686194 6.673755 2.533305 3.085365 4.538234 4.825518 5.015864 5.518558 5.319357 6.869567 7.716130 8.094964 7.042930 0.000000 4.588380 4.908582 3.785793 3.729372 3.323532 4.002205 4.342850 2.706744 4.800237 3.496259 5.638616 2.091138 1.087620 2.165361 3.509220 2.553047 4.008732 6.036778 6.747918 4.486757 4.815181 3.567510 2.340268 4.067049 3.811796 5.033871 4.795767 3.504599 2.363317 5.270176 4.602505 5.681740 3.356563 2.697163 4.301438 6.395987 6.173451 5.626772 3.063274 0.000000 5.290017 3.951749 5.087951 5.248649 5.836957 6.288280 7.132232 4.221112 6.522897 6.523970 8.048788 2.790422 2.730531 2.144469 1.092210 3.329726 4.018576 6.337791 7.625687 4.942640 6.110538 4.452319 5.339249 6.810101 5.555542 7.048211 7.880135 4.476196 4.844959 6.734777 6.934812 7.240622 5.871178 6.114372 7.406772 8.684701 8.785996 7.594632 2.244417 3.759149 0.000000 4.079075 2.310430 6.307915 6.086560 6.417183 6.469800 7.092792 5.536575 7.787564 6.351501 7.742700 4.040529 3.461159 2.162351 1.085664 2.709506 2.744448 4.880280 6.286666 6.276074 6.916474 5.166279 5.923773 7.470840 5.568549 7.251045 7.990092 5.998745 5.990119 8.161207 8.085293 8.451414 5.478739 6.175230 7.109601 8.468007 8.385110 7.103738 3.708737 4.308208 1.773730 0.000000 4.970128 3.447605 4.942833 4.603590 5.180216 5.266062 6.187027 4.519567 6.469960 5.795248 6.869117 3.112549 2.935285 2.138737 1.095529 3.141839 3.651971 5.934186 7.272107 4.811054 5.320166 3.599852 4.920760 6.247736 4.359323 5.906055 7.065436 5.090889 5.144626 6.933066 6.881399 6.999042 5.025973 5.658380 6.726241 7.429008 7.679025 6.284515 2.610203 3.917355 1.758972 1.766602 0.000000 2.391752 3.299654 5.791275 5.346116 4.731931 4.713960 4.587524 4.865288 6.899619 3.300376 5.449945 3.895152 2.555949 2.103772 3.500842 1.083959 2.145715 3.845263 4.530250 6.401711 6.337815 4.909135 3.881974 5.564599 4.235247 5.776366 5.295931 5.651183 4.579134 7.458541 6.662521 7.683510 2.667089 2.975976 3.778541 6.421912 5.760164 5.162930 4.551529 2.225976 4.185769 3.777051 4.055898 0.000000 2.078564 2.624937 9.425401 8.606761 8.092077 7.363486 7.022213 8.777468 10.708138 5.972529 6.934339 7.539910 6.343587 5.123578 5.515818 3.991813 2.659267 1.092178 2.170139 9.814910 9.355315 7.856640 7.585747 9.013008 6.553421 8.146042 7.976791 9.581559 8.706438 11.381833 10.582327 11.303321 4.975102 6.377088 6.023134 7.877846 6.993145 6.128979 7.766741 6.398063 6.493950 4.926269 5.813601 4.285432 0.000000 2.078919 2.648224 9.778331 9.213619 8.769865 8.313780 8.031290 8.882602 11.063319 6.797888 8.211278 7.595521 6.377885 5.117136 5.455576 4.014232 2.674087 1.092200 2.170296 10.145466 10.083274 8.479273 8.095140 9.690180 7.537744 9.208894 8.915401 9.537333 8.800055 11.596931 10.947646 11.785041 5.869358 6.942830 6.863379 9.207394 8.278647 7.510646 7.809738 6.454128 6.246358 4.730031 6.044517 4.351218 1.773801 0.000000 2.653339 4.571804 9.965025 9.150236 8.250414 7.531114 6.713775 9.246597 11.011163 5.459852 6.626703 8.277051 6.961124 6.113366 7.002356 4.766598 3.938031 2.159349 1.092805 10.590762 9.938087 8.654067 7.632984 8.962019 7.026110 8.379380 7.443368 10.089875 8.876027 11.707394 10.636945 11.655336 4.779704 5.863429 5.065899 7.669343 6.319933 6.112241 8.800189 6.610664 7.914191 6.659892 7.409630 4.453289 2.513717 3.077917 0.000000 2.654029 4.585945 10.300531 9.724768 8.917767 8.464710 7.765211 9.346995 11.357865 6.353964 7.955852 8.328266 6.992845 6.108456 6.955535 4.785872 3.948644 2.159847 1.092827 10.898879 10.627977 9.224626 8.140661 9.644328 7.954317 9.418262 8.443497 10.048134 8.968295 11.917333 11.001397 12.124340 5.706614 6.475463 6.042564 9.032421 7.721046 7.499833 8.838748 6.665308 7.712516 6.516462 7.593195 4.517022 3.078160 2.514651 1.777651 0.000000 3.344072 4.782492 11.229730 10.482609 9.729300 9.042820 8.358456 10.427950 12.374469 7.115704 8.245884 9.313513 8.008692 6.953053 7.581227 5.654573 4.508000 2.138138 1.093135 11.756777 11.291531 9.876274 9.092060 10.514871 8.421030 9.885001 9.142587 11.195446 10.151155 13.014382 12.080985 13.049310 6.342309 7.464548 6.804610 9.261583 7.992923 7.622645 9.705666 7.810028 8.453238 7.003783 8.058560 5.585980 2.505307 2.505279 1.772435 1.772179 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:-3.8667,-.1085,-.4818;-3.5184,-1.524,1.241;4.025,-1.1818,.0493;3.3859,-.0109,.8237;2.7947,1.1149,-.0344;1.9714,2.1067,.7948;1.202,3.1565,-.0268;3.0323,-1.8634,-.9324;5.2944,-.7642,-.7014;.0866,2.5177,-.8675;.6181,4.2353,.8938;1.7245,-2.2043,-.2907;.5565,-1.6287,-.6223;-.7212,-1.8214,.0596;-.8041,-2.8485,1.1545;-1.7477,-1.0175,-.328;-3.0893,-.9512,.2453;-5.234,.0953,-.0263;-5.8817,1.0818,-.9716;4.3075,-1.935,.7957;4.1358,.4065,1.507;2.5876,-.4135,1.4579;2.1589,.6821,-.8088;3.5933,1.6534,-.5573;1.246,1.5501,1.4043;2.6363,2.6197,1.5011;1.913,3.6403,-.7103;3.5085,-2.7788,-1.3046;2.8655,-1.2144,-1.7975;5.7663,-1.6253,-1.1849;5.0705,-.0281,-1.4795;6.0242,-.319,-.018;-.6297,1.998,-.2209;.4739,1.7902,-1.5853;-.4622,3.2788,-1.4312;1.4028,4.7346,1.4709;.0816,4.9993,.322;-.0897,3.7928,1.6045;1.7679,-2.9154,.5309;.5519,-.9014,-1.4309;-.2843,-3.7627,.8593;-1.83,-3.0918,1.4133;-.3049,-2.4719,2.0541;-1.577,-.3198,-1.1398;-5.2055,.4723,.9984;-5.748,-.8683,-.0286;-5.3512,2.0372,-.9634;-5.8951,.6943,-1.9933;-6.9136,1.2583,-.6572; 0.4301220 0.1766774 0.1360267 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= 1.62D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.54D-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= 612 608 612 612 612 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.615228178919 -816.615228179 1 8.127701271093e+02 -4.827648429278e+03 1.733416201196e+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= 78.3553, EpsInf= 1.7778) 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. 15212 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= 770000000 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= 3.35D+02 1.47D+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= 3.11D+01 1.05D+00. 147 vectors produced by pass 2 Test12= 3.87D-14 1.00D-09 XBig12= 5.30D-01 8.40D-02. 147 vectors produced by pass 3 Test12= 3.87D-14 1.00D-09 XBig12= 1.96D-03 3.51D-03. 147 vectors produced by pass 4 Test12= 3.87D-14 1.00D-09 XBig12= 4.06D-06 1.93D-04. 99 vectors produced by pass 5 Test12= 3.87D-14 1.00D-09 XBig12= 5.73D-09 4.35D-06. 20 vectors produced by pass 6 Test12= 3.87D-14 1.00D-09 XBig12= 7.10D-12 2.36D-07. 3 vectors produced by pass 7 Test12= 3.87D-14 1.00D-09 XBig12= 8.94D-15 9.45D-09. InvSVY: IOpt=1 It= 1 EMax= 1.72D-14 Solved reduced A of dimension 857 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 328.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 421.960 -48.468 287.849 -4.944 -16.478 276.094 399.841 -47.032 282.268 -2.566 -18.748 275.193 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT78151.300S 2024-09-21T03:59:34.000 -19.16766 -19.11514 -10.30781 -10.22233 -10.20834 -10.17918 -10.17576 -10.17038 -10.16737 -10.16247 -10.16190 -10.16021 -10.15864 -10.15082 -10.14976 -10.14807 -10.14766 -10.14615 -10.14499 -1.10588 -1.01958 -0.84002 -0.81633 -0.79935 -0.78033 -0.75958 -0.73470 -0.71209 -0.68210 -0.67377 -0.66533 -0.64812 -0.60515 -0.59644 -0.56382 -0.54962 -0.53632 -0.53365 -0.50580 -0.49236 -0.48075 -0.47188 -0.46621 -0.45531 -0.44263 -0.43274 -0.43130 -0.42495 -0.41447 -0.41311 -0.40710 -0.40036 -0.39316 -0.38820 -0.37766 -0.37575 -0.37316 -0.36724 -0.36161 -0.35797 -0.35486 -0.35293 -0.35159 -0.33753 -0.32968 -0.32531 -0.31435 -0.31166 -0.30970 -0.30883 -0.29943 -0.29216 -0.28695 -0.23591 -0.06961 0.00535 0.01360 0.01576 0.02011 0.02510 0.02794 0.03149 0.03669 0.03764 0.04081 0.04606 0.04855 0.05225 0.05497 0.06072 0.06288 0.06627 0.06884 0.06953 0.07358 0.07872 0.07899 0.08530 0.08843 0.09080 0.09567 0.09775 0.10020 0.10344 0.10605 0.10896 0.10984 0.11711 0.11972 0.12178 0.12402 0.12964 0.13049 0.13325 0.13906 0.14268 0.14474 0.14541 0.15278 0.15657 0.16004 0.16401 0.16699 0.16840 0.17515 0.17679 0.18372 0.18431 0.18690 0.19034 0.19497 0.19626 0.20044 0.20062 0.20244 0.20354 0.20558 0.20810 0.21086 0.21324 0.21657 0.21823 0.22098 0.22343 0.22480 0.22814 0.23149 0.23267 0.23550 0.23782 0.24051 0.24090 0.24217 0.25012 0.25311 0.25493 0.25912 0.26037 0.26367 0.26508 0.26770 0.27020 0.27228 0.27640 0.27803 0.27997 0.28276 0.28647 0.29079 0.29223 0.29540 0.30146 0.30475 0.30492 0.30846 0.31214 0.31598 0.31990 0.32464 0.33074 0.33218 0.33862 0.34356 0.34760 0.35574 0.35713 0.36561 0.37281 0.38135 0.38421 0.38730 0.39618 0.39875 0.40435 0.41486 0.41737 0.42352 0.42742 0.43303 0.44030 0.45157 0.45278 0.45790 0.46507 0.47718 0.48425 0.48683 0.48849 0.49761 0.50384 0.51362 0.51553 0.52339 0.53135 0.53538 0.54062 0.54281 0.55337 0.55950 0.56876 0.57332 0.57739 0.58806 0.59071 0.59984 0.60799 0.61761 0.62177 0.62985 0.63056 0.63408 0.64009 0.64265 0.65172 0.65369 0.65720 0.66260 0.66648 0.66934 0.67217 0.67793 0.68409 0.68496 0.68926 0.69477 0.69872 0.70590 0.71175 0.71587 0.72143 0.72275 0.72431 0.72826 0.73097 0.73625 0.73964 0.74128 0.74246 0.75589 0.75900 0.76236 0.76709 0.77675 0.78192 0.78484 0.78934 0.79220 0.79733 0.80164 0.81091 0.81629 0.81749 0.82351 0.83800 0.84090 0.86125 0.86237 0.87340 0.89435 0.90550 0.91002 0.91913 0.93103 0.94196 0.95637 0.96098 0.97534 0.98718 0.99972 1.00391 1.01198 1.02524 1.02923 1.03620 1.04428 1.06037 1.07059 1.07930 1.09062 1.09573 1.10631 1.11343 1.11940 1.12095 1.13734 1.16239 1.16872 1.18547 1.18959 1.19187 1.19667 1.21153 1.22949 1.23624 1.25650 1.25799 1.26929 1.27196 1.28123 1.32011 1.32997 1.34463 1.35073 1.40146 1.41607 1.42936 1.44837 1.44917 1.46370 1.46476 1.46818 1.47686 1.48277 1.48883 1.49561 1.49972 1.50351 1.51367 1.53096 1.53363 1.53767 1.54021 1.54234 1.55206 1.56417 1.56781 1.57067 1.57564 1.58607 1.58662 1.59252 1.59289 1.60009 1.60642 1.61385 1.61704 1.62398 1.62739 1.63358 1.64151 1.64693 1.65096 1.65638 1.66030 1.66539 1.66729 1.67296 1.68151 1.68898 1.69653 1.70660 1.71164 1.72169 1.73051 1.73858 1.74297 1.74962 1.75578 1.76014 1.76614 1.77112 1.77905 1.78323 1.79148 1.79992 1.80366 1.81251 1.81553 1.82221 1.83361 1.83625 1.85329 1.86199 1.87331 1.88203 1.88438 1.90514 1.92326 1.93154 1.94847 1.95299 1.96434 1.97951 1.99527 2.00343 2.00587 2.01342 2.03390 2.04767 2.05884 2.07113 2.08237 2.08559 2.08652 2.10183 2.11020 2.11457 2.12334 2.13549 2.14164 2.14943 2.15808 2.17391 2.18308 2.19774 2.20667 2.22284 2.22765 2.24087 2.25185 2.25594 2.27719 2.27984 2.31188 2.31478 2.32622 2.34032 2.35132 2.36197 2.37472 2.37857 2.40472 2.41042 2.42337 2.44206 2.45034 2.45649 2.46502 2.46883 2.47425 2.47590 2.48963 2.50504 2.50931 2.51547 2.52025 2.52699 2.53096 2.54440 2.54806 2.55390 2.56196 2.56530 2.56983 2.57484 2.58764 2.59127 2.59455 2.59885 2.60802 2.61691 2.62341 2.63051 2.63266 2.64814 2.65537 2.66160 2.66854 2.66973 2.67748 2.68529 2.68640 2.70508 2.71879 2.73185 2.73478 2.74256 2.75935 2.76663 2.77672 2.78354 2.79727 2.80331 2.81568 2.81824 2.82697 2.82886 2.84489 2.84674 2.86276 2.87501 2.88467 2.88991 2.90687 2.91815 2.92077 2.94351 2.95587 2.96790 2.97490 2.97903 2.98876 3.00384 3.01379 3.02575 3.04323 3.05244 3.06189 3.07468 3.07818 3.09930 3.13659 3.14615 3.16498 3.17502 3.19753 3.21450 3.23664 3.28063 3.29099 3.32564 3.35519 3.36013 3.40098 3.44034 3.49363 3.53682 3.58492 3.61235 3.65702 3.68888 3.78937 3.79967 3.80649 3.80889 3.81531 3.81793 3.82249 3.82461 3.82596 3.83853 3.85317 3.86728 3.87336 3.87762 3.89227 3.95794 4.00913 4.02251 4.05200 4.07709 4.12200 4.14026 4.21759 4.25569 4.27575 4.30159 4.31496 4.34592 4.41145 4.43592 4.51738 4.99807 5.06469 5.23301 5.36751 5.65681 5.86185 23.69474 23.83732 23.84528 23.85199 23.85552 23.87461 23.91041 23.92856 23.94421 23.96443 23.98017 23.98157 23.98317 23.98829 24.00355 24.16599 24.24319 49.90399 50.01557 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 -0.134058 -0.429391 0.260251 -0.422311 -0.006469 -0.479640 0.320139 -0.722100 -0.740436 -0.600963 -0.648383 -0.077637 0.192132 0.588048 -0.761265 -0.415269 -0.025409 0.017752 -0.556957 0.148716 0.151028 0.146356 0.111401 0.142828 0.142607 0.141083 0.130066 0.171389 0.166654 0.146266 0.157060 0.153762 0.150689 0.145809 0.142874 0.143425 0.144656 0.147351 0.169517 0.143370 0.173976 0.172764 0.192736 0.168597 0.177952 0.178317 0.155342 0.156531 0.168844 -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 -0.134058 -0.429391 0.408968 -0.124928 0.247759 -0.195950 0.450205 -0.384057 -0.283347 -0.161592 -0.212951 0.091880 0.335502 0.588048 -0.221788 -0.246672 -0.025409 0.374021 -0.076240 -0.00000 1.23944528e+00 2.36333722e-01 -6.76067704e-01 4.21960289e+02 -4.84678505e+01 2.87849500e+02 -4.94442522e+00 -1.64778663e+01 2.76093596e+02 -0.0006 0.0005 0.0006 2.0235 2.3869 6.0336 15.3449 19.1466 25.2621 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 15.3387 19.1318 25.1847 39.0762 50.4929 64.9884 77.2510 87.9167 93.7320 101.0969 113.2544 126.5080 153.7715 170.6831 193.5318 207.2551 236.2990 250.0212 253.0056 262.4170 272.2371 281.7848 296.7073 305.4599 314.5946 339.4511 386.1904 405.6331 413.2002 439.8784 446.1643 456.7299 467.3045 553.9605 576.4282 629.7945 741.6234 747.2941 771.7722 790.9537 821.0794 831.1481 834.4160 847.7359 868.5682 890.5508 897.4179 930.8544 936.4340 944.8041 954.1212 966.2497 979.8342 989.4642 995.3016 1000.5358 1027.4457 1040.9337 1049.7768 1053.8164 1057.2257 1060.1456 1113.4459 1128.1185 1141.8079 1145.1798 1158.7173 1170.3475 1176.6529 1185.5585 1205.6690 1234.9348 1260.2303 1277.2971 1290.4822 1299.8845 1302.4517 1328.6222 1331.0591 1341.3229 1347.4460 1356.5971 1363.1400 1372.5563 1383.0607 1385.9180 1392.6759 1394.5841 1401.4390 1408.0601 1410.7191 1415.3748 1423.6193 1460.3328 1468.0029 1468.9884 1472.3221 1475.3195 1477.4574 1477.7125 1480.7598 1482.7346 1484.1934 1484.7004 1486.4691 1492.3060 1498.3460 1502.3665 1613.9450 1650.5368 1683.6584 2982.7822 2989.3039 2994.0389 3005.4874 3007.3719 3010.5925 3011.8767 3013.6305 3017.6169 3025.3873 3033.8161 3034.1747 3036.5915 3053.6880 3059.7340 3064.5840 3070.1143 3074.4412 3076.0218 3079.6172 3083.7556 3088.8791 3090.8560 3093.2771 3104.9988 3113.5016 3134.1059 3145.4417 3165.1574 3178.8180 3.6943 3.8732 2.6491 3.9371 3.5727 2.9688 2.1872 2.1408 2.0946 2.6493 2.1086 2.4047 2.6776 2.1552 2.5999 3.2475 1.1040 1.1610 1.7262 1.4521 1.8583 1.6155 2.8498 3.0159 2.7549 4.7229 2.3381 2.2950 3.2189 2.9436 2.5373 2.3213 2.7063 2.6447 2.3547 3.2438 1.1621 3.1616 5.3011 2.9960 1.8418 1.1072 2.9153 1.6055 2.0000 2.5055 1.7547 1.6162 1.3171 1.7736 1.8907 1.4573 2.1195 2.6472 1.8943 1.1646 2.2264 1.9305 1.8704 1.6954 2.4755 1.7531 1.9036 2.2450 2.6332 2.4466 2.3678 1.5390 1.9423 1.7317 1.3623 1.3966 2.1640 1.3161 1.2390 1.0986 1.2059 1.3499 1.2769 1.2685 1.4796 1.3990 1.3341 1.4204 1.3391 1.1958 1.2397 1.2823 1.2987 1.2444 1.4067 1.3755 1.4975 1.0836 1.0375 1.0731 1.0557 1.0736 1.0568 1.0964 1.0525 1.0540 1.0967 1.0617 1.0569 1.0487 1.0934 1.0889 6.6945 7.0345 5.8079 1.0698 1.0723 1.0754 1.0363 1.0652 1.0545 1.0393 1.0738 1.0558 1.0901 1.0461 1.0352 1.0935 1.0573 1.0988 1.1011 1.1004 1.1022 1.1021 1.1013 1.0985 1.0948 1.1065 1.0934 1.1015 1.1076 1.0908 1.0869 1.0970 1.0891 0.0005 0.0008 0.0010 0.0035 0.0054 0.0074 0.0077 0.0097 0.0108 0.0160 0.0159 0.0227 0.0373 0.0370 0.0574 0.0822 0.0363 0.0428 0.0651 0.0589 0.0811 0.0756 0.1478 0.1658 0.1606 0.3206 0.2055 0.2225 0.3238 0.3356 0.2976 0.2853 0.3482 0.4782 0.4610 0.7580 0.3766 1.0403 1.8603 1.1043 0.7316 0.4506 1.1959 0.6798 0.8890 1.1708 0.8326 0.8251 0.6805 0.9328 1.0141 0.8017 1.1989 1.5270 1.1056 0.6869 1.3847 1.2324 1.2145 1.1093 1.6302 1.1609 1.3905 1.6833 2.0227 1.8904 1.8731 1.2420 1.5844 1.4341 1.1668 1.2549 2.0249 1.2651 1.2157 1.0937 1.2053 1.4040 1.3329 1.3447 1.5828 1.5169 1.4606 1.5766 1.5092 1.3532 1.4167 1.4694 1.5028 1.4536 1.6495 1.6236 1.7882 1.3615 1.3173 1.3644 1.3483 1.3768 1.3592 1.4106 1.3598 1.3653 1.4233 1.3789 1.3759 1.3760 1.4463 1.4480 10.2742 11.2910 9.7001 5.6078 5.6458 5.6799 5.5152 5.6763 5.6314 5.5549 5.7456 5.6643 5.8787 5.6730 5.6149 5.9409 5.8089 6.0608 6.0927 6.1107 6.1381 6.1442 6.1541 6.1548 6.1543 6.2281 6.1639 6.2571 6.3259 6.3126 6.3356 6.4752 6.4841 0.6047 0.4006 0.2783 1.6243 0.0278 1.2016 0.2912 2.5436 1.7454 0.1955 1.2339 1.5554 3.2623 0.8744 1.9063 1.5223 0.1110 0.0946 1.5386 0.2674 0.0158 3.5902 8.0630 3.6505 1.3884 17.6761 0.8212 0.5598 7.3444 2.0900 2.2728 1.7316 1.8320 6.1023 4.1448 2.9764 15.0109 4.9521 9.8841 4.3067 11.5500 4.0502 12.1976 8.3004 28.5181 12.6648 38.7361 10.3726 1.1282 0.5542 5.6904 0.0550 48.8818 37.6668 9.8656 91.7491 113.5179 86.8276 76.2752 4.2071 15.5078 70.4566 55.1483 274.8066 549.7352 347.3117 162.5557 11.3790 14.7594 5.5468 9.9953 5.3547 88.3060 7.8900 1.6702 2.1377 0.2730 4.1664 8.0812 6.4824 1.7467 1.6459 1.6892 5.6476 1.5015 35.7472 21.4745 11.4446 5.7784 6.7167 1.1645 46.9581 18.0577 119.0033 13.4281 0.5548 2.5551 1.9784 2.5666 19.2126 0.8998 9.0761 43.8744 8.8316 10.1956 12.0102 26.4888 21.2322 1330.3115 415.7946 107.0694 8.7119 92.5634 26.6688 45.2969 152.6038 22.1578 74.6159 55.7123 41.3972 53.9326 19.7246 22.3190 159.0157 32.6478 48.2821 28.2208 148.8479 77.1957 72.1537 113.0066 69.1557 20.9439 0.3891 91.7960 39.0236 77.8724 7.8006 33.8113 4.6791 5.1694 0.07 0.07 0.05 0.02 -0.05 -0.04 -0.00 0.02 0.05 -0.05 0.01 0.03 -0.05 -0.00 0.01 -0.12 -0.04 -0.03 -0.09 -0.03 -0.05 0.04 -0.01 0.02 0.00 0.05 0.08 -0.01 -0.04 -0.15 -0.18 -0.07 -0.06 0.03 -0.03 -0.00 0.03 -0.04 -0.02 0.02 -0.05 -0.03 0.01 -0.07 -0.06 0.03 -0.02 -0.01 0.04 -0.01 -0.01 0.08 0.10 0.07 0.12 0.20 0.14 -0.01 0.03 0.06 -0.08 0.02 0.05 -0.06 -0.01 0.00 0.01 -0.02 -0.03 -0.04 0.03 0.05 -0.15 -0.07 -0.09 -0.18 -0.04 0.03 -0.05 0.00 0.01 0.07 0.00 0.04 0.04 -0.02 0.02 0.04 0.06 0.09 0.01 0.04 0.07 -0.02 0.07 0.09 -0.05 -0.07 -0.21 0.05 -0.01 -0.14 0.01 -0.03 -0.16 -0.23 -0.07 0.01 -0.15 -0.07 -0.08 -0.22 -0.11 -0.12 0.02 -0.04 -0.01 0.04 -0.03 -0.01 0.00 -0.07 -0.08 0.01 -0.07 -0.07 0.01 -0.10 -0.04 0.05 -0.00 0.01 0.11 0.03 0.10 0.04 0.12 0.01 0.17 0.17 0.20 0.10 0.27 0.12 0.13 0.22 0.16 0.02 0.02 -0.05 0.06 0.17 0.07 0.04 -0.01 -0.06 0.05 -0.02 -0.03 -0.00 -0.02 0.00 -0.06 -0.09 0.03 -0.10 -0.09 0.07 0.01 -0.02 -0.03 0.00 0.02 -0.11 -0.05 -0.11 0.01 -0.17 -0.17 0.11 0.02 0.01 0.01 0.02 -0.00 -0.00 0.03 0.05 0.03 0.04 0.14 0.11 0.02 0.03 -0.01 0.04 0.08 0.01 0.03 0.06 -0.04 0.01 -0.03 -0.12 0.08 -0.01 -0.07 0.06 -0.02 -0.05 0.08 -0.04 -0.00 0.02 -0.03 -0.02 -0.03 0.03 0.02 -0.04 -0.15 -0.01 -0.09 -0.10 0.06 -0.11 -0.02 0.10 -0.01 -0.03 -0.02 -0.00 -0.04 -0.04 -0.01 0.03 -0.14 -0.04 0.02 -0.09 0.02 0.02 -0.13 -0.03 -0.18 -0.03 0.01 -0.05 -0.02 -0.07 -0.10 0.04 -0.21 -0.16 0.15 -0.20 -0.17 0.14 -0.16 -0.24 0.07 0.03 0.05 0.04 0.01 -0.04 -0.04 0.06 0.12 0.19 0.04 0.13 0.12 0.02 0.22 0.09 0.01 -0.04 -0.07 0.05 0.15 -0.07 0.03 0.06 0.06 0.02 -0.03 -0.22 -0.01 -0.12 -0.08 0.02 0.00 -0.11 0.03 0.01 -0.03 -0.01 -0.02 -0.04 0.01 0.02 -0.00 0.00 0.02 -0.02 -0.03 -0.00 -0.02 0.03 0.04 -0.01 -0.07 -0.04 -0.01 0.01 -0.01 0.01 -0.00 0.02 -0.02 -0.19 -0.12 0.21 0.05 0.06 -0.04 0.02 -0.01 0.03 0.01 -0.05 -0.01 0.01 -0.03 -0.00 0.01 0.01 0.03 0.01 -0.05 -0.03 0.01 -0.02 -0.03 0.04 0.05 -0.02 0.08 0.10 0.00 0.02 0.03 0.01 0.01 0.05 -0.04 0.02 0.02 0.01 -0.09 -0.03 0.04 -0.06 -0.04 -0.10 0.11 0.08 0.11 0.10 0.11 -0.12 -0.17 -0.11 -0.16 0.02 -0.01 0.03 0.00 -0.03 0.00 0.00 0.02 -0.01 -0.01 0.01 -0.03 0.00 0.04 -0.03 -0.11 -0.04 0.36 -0.29 -0.21 0.24 -0.25 -0.18 0.19 0.13 0.12 -0.20 -0.03 -0.00 -0.04 0.16 0.13 0.11 0.03 0.03 0.06 -0.00 -0.08 -0.04 0.02 -0.00 0.07 0.01 0.01 0.04 0.00 0.04 0.02 0.01 -0.07 -0.05 0.05 0.03 -0.01 0.00 0.07 -0.04 0.11 0.08 0.02 0.06 0.12 -0.01 0.08 0.13 0.00 0.01 -0.01 -0.01 0.16 0.19 0.12 -0.04 -0.02 0.05 -0.09 -0.04 0.03 -0.05 -0.02 0.02 -0.04 0.00 0.01 -0.03 -0.01 -0.02 0.03 -0.01 -0.02 0.01 0.00 0.14 -0.07 -0.00 0.04 0.04 0.06 -0.05 0.00 -0.05 -0.08 0.01 -0.04 -0.10 0.01 -0.03 -0.10 -0.03 -0.07 -0.14 0.04 0.03 -0.05 0.07 0.08 0.03 0.04 0.03 0.08 -0.06 -0.13 -0.01 -0.08 -0.03 0.05 -0.13 -0.04 0.08 -0.13 -0.05 -0.02 -0.05 -0.01 0.01 -0.03 -0.05 0.03 -0.04 0.03 0.02 -0.03 0.01 -0.01 -0.03 -0.06 -0.06 0.06 0.01 -0.02 0.06 0.01 -0.01 0.04 0.02 0.16 0.05 0.01 0.13 -0.04 0.00 0.19 -0.08 0.07 0.09 -0.12 -0.06 0.08 -0.05 -0.01 0.01 0.07 0.06 -0.10 0.04 0.04 -0.07 0.05 0.11 -0.00 -0.02 -0.06 -0.10 0.03 -0.02 -0.08 0.08 -0.01 -0.10 -0.05 -0.16 -0.28 -0.19 -0.05 -0.06 0.03 0.04 -0.05 0.13 0.19 0.03 0.06 0.02 0.28 -0.08 -0.11 -0.20 -0.15 -0.28 0.06 -0.04 -0.10 0.06 0.05 -0.04 -0.03 0.02 0.02 0.04 -0.03 0.02 -0.03 -0.08 0.00 -0.04 -0.13 -0.03 -0.04 -0.07 -0.00 -0.01 0.02 0.10 0.05 -0.01 -0.07 0.01 -0.07 0.07 -0.07 -0.00 0.22 -0.03 0.07 0.07 0.11 0.01 -0.09 0.03 -0.00 -0.14 0.01 0.00 -0.10 0.03 -0.00 -0.04 0.08 0.02 -0.10 0.00 0.03 -0.03 0.01 0.06 0.04 -0.03 0.10 0.02 -0.08 0.03 0.06 -0.02 -0.08 0.04 -0.06 -0.05 -0.02 -0.02 -0.19 -0.05 0.01 -0.17 -0.04 -0.11 -0.11 0.02 -0.03 -0.03 -0.09 0.02 0.06 0.10 0.10 0.03 -0.06 0.04 -0.05 -0.11 -0.01 -0.03 0.09 -0.06 -0.13 0.03 -0.09 -0.08 0.14 -0.10 -0.05 0.22 -0.08 -0.02 0.25 -0.07 0.06 0.30 0.01 0.08 -0.02 0.16 0.13 0.15 0.14 0.02 0.07 0.05 0.04 -0.06 0.07 -0.01 -0.17 -0.02 0.03 -0.04 0.16 -0.01 -0.05 0.06 -0.05 0.03 0.08 0.03 -0.14 -0.03 0.09 0.09 -0.05 0.02 0.06 0.02 0.15 -0.00 -0.13 0.08 -0.03 -0.06 0.11 0.09 -0.08 -0.07 -0.11 -0.09 0.05 0.02 -0.01 -0.00 -0.01 0.03 -0.01 -0.01 0.02 -0.00 -0.01 0.02 0.01 0.00 0.01 0.03 0.01 0.01 0.01 0.01 0.00 0.02 -0.02 0.06 0.04 0.02 -0.02 0.02 0.00 0.01 -0.00 0.03 -0.01 -0.01 -0.03 -0.08 -0.01 0.00 -0.06 0.04 0.17 0.10 -0.05 -0.09 -0.15 -0.02 -0.05 -0.08 -0.02 -0.03 0.04 -0.04 0.06 0.16 -0.03 -0.02 0.02 -0.01 -0.01 0.03 -0.01 -0.01 0.02 -0.02 -0.02 0.03 -0.00 -0.03 0.00 0.00 0.02 0.02 0.02 -0.00 0.01 0.04 0.01 0.03 0.00 0.00 0.01 0.03 0.01 -0.00 0.02 -0.02 0.06 0.05 -0.00 0.07 0.01 -0.04 0.08 0.04 0.00 -0.04 0.06 0.04 -0.03 0.05 0.03 -0.01 0.01 -0.01 0.03 0.03 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.10 0.05 -0.03 -0.10 -0.15 0.25 0.21 0.34 0.05 0.03 0.01 -0.16 0.42 0.11 -0.10 -0.18 -0.24 0.11 -0.08 0.06 -0.09 0.01 0.05 0.03 0.02 0.16 -0.17 0.12 0.14 0.01 0.12 0.27 0.02 0.03 0.04 -0.02 -0.04 -0.02 -0.04 -0.03 -0.01 -0.08 -0.07 0.01 -0.03 -0.03 0.03 -0.08 -0.06 0.02 -0.01 -0.03 -0.01 0.01 0.00 -0.08 -0.00 0.00 0.07 -0.05 0.03 0.00 0.06 0.04 -0.04 0.00 -0.01 -0.10 0.01 0.04 -0.04 0.04 0.05 0.02 0.13 0.10 0.08 0.01 0.01 0.02 0.00 -0.00 0.02 0.00 -0.01 -0.01 0.01 -0.02 -0.02 -0.07 -0.06 -0.02 -0.11 -0.09 0.07 -0.11 -0.09 -0.04 0.01 0.00 -0.03 -0.00 -0.01 0.10 -0.12 -0.07 -0.05 -0.12 -0.09 0.07 0.03 -0.09 -0.01 0.02 0.02 -0.10 0.03 0.04 -0.05 0.03 0.03 0.06 0.04 0.04 0.09 -0.04 -0.02 0.13 -0.11 0.13 0.01 -0.09 -0.05 0.05 0.04 0.04 -0.06 0.09 0.01 -0.06 0.10 0.05 -0.06 0.04 0.10 -0.02 -0.00 -0.04 -0.13 -0.00 0.06 -0.02 -0.16 -0.02 -0.07 0.16 0.33 0.39 0.51 0.01 -0.10 -0.02 -0.02 -0.01 -0.05 -0.03 -0.00 0.03 -0.03 -0.04 -0.02 -0.00 0.02 0.06 -0.00 -0.03 -0.01 -0.05 -0.06 0.01 0.05 0.04 -0.05 -0.07 -0.05 -0.00 0.01 0.01 0.01 0.02 0.00 0.01 0.01 -0.01 0.05 0.05 -0.00 0.01 0.02 0.01 -0.01 0.02 0.01 0.01 -0.02 0.02 0.04 -0.01 -0.00 -0.04 -0.02 0.02 -0.01 0.02 0.00 -0.02 -0.03 -0.04 -0.02 -0.04 -0.03 0.03 0.01 0.02 -0.04 -0.08 -0.05 -0.03 -0.04 -0.02 0.05 0.16 0.12 -0.04 -0.07 -0.06 -0.02 0.01 0.02 0.02 0.03 -0.01 0.01 0.04 0.01 -0.03 0.00 0.03 0.00 -0.01 -0.05 0.08 0.07 0.05 0.09 0.07 -0.05 -0.01 0.06 0.01 -0.01 0.02 0.01 0.00 0.02 0.01 0.00 -0.03 0.03 0.04 -0.02 0.02 0.01 -0.03 0.03 0.08 -0.09 -0.01 0.07 0.05 -0.04 -0.02 -0.02 0.04 -0.06 -0.00 0.04 -0.06 -0.02 0.03 -0.03 -0.06 0.00 -0.00 0.06 0.03 -0.04 -0.06 -0.07 -0.10 -0.05 -0.04 0.05 0.12 0.17 0.21 -0.02 -0.07 -0.05 -0.10 -0.07 0.16 0.40 0.03 0.04 0.16 0.40 -0.02 -0.08 -0.38 -0.17 -0.34 0.04 0.00 0.03 0.02 0.04 0.12 0.06 -0.01 -0.10 -0.11 0.02 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.03 0.02 -0.06 -0.07 0.01 -0.00 -0.03 -0.00 0.01 -0.03 0.01 -0.01 0.03 -0.04 -0.03 0.02 -0.01 0.05 0.02 -0.03 0.01 -0.01 0.02 0.02 0.00 0.02 0.01 0.03 0.00 -0.04 0.06 0.03 0.03 0.04 -0.01 0.02 0.02 -0.03 0.02 0.02 0.04 -0.06 -0.07 0.01 0.06 0.00 -0.01 0.00 -0.01 0.01 0.02 -0.04 0.01 0.02 -0.03 -0.01 -0.02 0.01 0.05 -0.10 -0.09 -0.06 -0.10 -0.10 0.07 0.03 -0.08 -0.00 0.01 -0.04 0.03 0.01 -0.05 0.00 0.00 0.04 -0.05 -0.05 0.02 -0.03 -0.00 0.05 -0.06 -0.09 0.11 -0.00 -0.07 -0.05 0.04 0.05 0.04 -0.06 0.08 -0.01 -0.04 0.09 0.03 -0.04 0.03 0.07 -0.01 0.01 -0.00 0.03 0.03 -0.01 0.01 0.32 0.19 0.28 -0.05 -0.22 -0.29 -0.46 0.28 0.18 0.04 0.06 0.00 -0.02 0.05 0.03 0.10 -0.02 0.07 -0.15 -0.02 -0.03 -0.03 -0.11 0.02 -0.08 -0.16 -0.00 -0.04 -0.07 -0.04 -0.02 0.02 0.03 0.03 0.03 -0.03 0.04 -0.04 0.08 0.05 0.01 0.14 -0.06 -0.06 0.10 0.04 -0.06 0.00 -0.02 0.05 -0.00 -0.05 0.13 -0.12 0.05 -0.05 -0.01 0.06 0.05 -0.12 -0.00 0.03 0.02 -0.01 0.01 0.02 -0.02 -0.03 -0.00 -0.02 -0.05 -0.02 -0.03 -0.05 -0.01 -0.03 -0.03 -0.01 0.01 0.06 0.03 0.02 0.03 -0.02 0.12 -0.00 -0.10 0.05 -0.08 0.10 0.05 -0.08 0.06 0.13 0.03 0.05 0.07 0.07 0.23 -0.13 -0.10 -0.01 -0.15 -0.07 0.19 0.11 -0.16 0.01 -0.03 0.06 -0.04 -0.05 0.07 0.02 -0.05 0.18 -0.20 -0.16 0.15 -0.07 -0.02 0.14 -0.16 -0.05 0.09 -0.01 0.04 -0.17 0.10 0.16 -0.07 -0.15 0.06 0.06 -0.13 0.13 0.03 -0.21 0.00 0.15 -0.11 0.01 0.03 0.01 -0.02 0.02 0.03 -0.07 -0.06 -0.08 -0.02 -0.01 0.02 0.05 -0.10 -0.04 -0.04 -0.05 -0.01 0.10 0.14 -0.01 -0.06 0.10 0.14 0.11 -0.02 -0.15 -0.09 -0.07 0.02 0.06 0.15 0.04 -0.02 0.02 -0.04 0.01 0.04 -0.04 0.06 0.01 0.04 0.06 0.03 -0.01 -0.02 -0.03 -0.03 -0.06 -0.07 -0.03 -0.02 -0.02 0.00 0.04 -0.07 0.11 0.02 -0.01 -0.04 -0.06 0.06 -0.00 0.04 -0.01 0.03 0.01 0.03 0.11 0.03 -0.00 0.00 0.00 0.02 -0.03 -0.00 -0.01 -0.06 0.01 0.02 -0.05 0.00 0.03 -0.05 -0.01 -0.01 0.02 -0.09 -0.02 0.08 0.10 0.06 0.07 0.08 0.10 -0.07 0.11 0.04 0.06 -0.01 -0.08 -0.01 -0.06 0.01 -0.06 -0.08 -0.09 -0.08 -0.08 -0.11 0.02 -0.00 -0.04 0.01 0.01 -0.12 0.20 0.06 -0.15 0.04 0.01 -0.03 -0.03 -0.03 -0.05 -0.06 0.05 0.03 -0.10 -0.11 0.12 -0.01 -0.10 0.01 0.02 0.01 0.09 -0.03 0.08 -0.05 0.02 0.06 0.02 0.06 0.04 0.01 0.04 -0.03 0.11 0.19 0.05 -0.07 -0.06 -0.32 -0.12 -0.26 0.00 0.25 0.19 0.35 -0.20 -0.17 0.02 0.02 -0.05 0.04 -0.03 0.03 0.02 -0.03 0.04 -0.12 -0.00 0.06 -0.15 -0.00 0.07 -0.08 -0.05 0.16 0.04 0.10 0.03 0.02 0.03 -0.03 -0.02 0.01 0.00 -0.05 -0.04 0.05 -0.06 -0.04 0.06 0.08 0.08 0.05 0.04 0.01 0.01 -0.00 -0.05 0.02 -0.09 0.12 -0.06 0.10 -0.08 0.00 -0.04 0.01 -0.04 -0.01 -0.05 0.01 -0.01 -0.08 -0.05 -0.00 -0.02 -0.03 0.01 0.03 0.01 0.02 0.01 -0.03 0.03 0.05 -0.01 -0.01 -0.06 -0.02 -0.05 -0.03 0.04 0.07 0.02 -0.02 -0.06 -0.04 0.06 -0.05 -0.07 0.03 -0.16 -0.06 0.14 -0.07 -0.13 -0.06 0.12 0.18 0.19 0.18 0.13 -0.08 0.03 0.03 0.01 0.02 -0.05 0.05 -0.01 -0.08 -0.00 -0.02 0.16 -0.06 -0.19 0.08 -0.06 -0.10 0.20 -0.09 0.18 -0.21 -0.01 0.16 0.02 -0.06 -0.01 -0.11 0.07 -0.09 0.03 0.00 -0.02 -0.01 -0.08 -0.07 -0.00 -0.08 -0.01 0.02 0.07 0.00 -0.14 -0.11 -0.13 -0.04 -0.03 0.01 0.15 0.14 0.16 -0.01 -0.06 0.02 -0.02 -0.06 -0.10 -0.15 0.01 0.08 -0.11 -0.15 -0.18 0.04 0.19 0.07 0.09 -0.01 -0.10 -0.20 -0.02 0.02 0.08 0.11 -0.00 0.01 0.08 0.04 0.02 0.00 0.10 0.05 0.02 -0.03 -0.02 0.02 -0.05 -0.04 0.02 -0.00 -0.02 0.01 -0.01 0.09 0.01 0.07 -0.05 0.01 -0.00 0.01 -0.02 0.02 0.01 -0.02 -0.01 0.12 0.02 -0.07 -0.08 -0.13 -0.04 -0.07 -0.07 0.01 -0.02 -0.02 -0.06 -0.08 -0.04 -0.01 0.00 0.06 -0.04 -0.03 -0.03 0.04 0.00 -0.06 -0.00 -0.01 -0.00 0.16 0.10 -0.08 0.18 0.05 0.12 -0.06 -0.09 0.08 -0.10 0.01 -0.06 -0.07 -0.05 -0.01 -0.06 -0.06 0.05 0.03 -0.05 0.02 -0.06 0.07 -0.01 0.01 0.10 0.01 -0.03 -0.07 -0.06 0.13 0.03 0.07 0.13 -0.18 0.03 -0.06 0.07 -0.03 -0.01 -0.02 0.02 0.06 0.03 -0.06 0.02 -0.02 0.00 0.07 0.03 -0.04 -0.02 0.05 -0.03 0.03 0.28 0.16 -0.13 -0.22 -0.25 0.06 -0.01 0.04 0.02 -0.05 -0.01 -0.01 0.06 -0.03 -0.10 -0.11 -0.08 -0.20 -0.09 -0.00 0.01 -0.05 -0.17 -0.06 0.06 0.14 0.30 0.10 -0.10 -0.04 -0.14 -0.26 0.03 0.06 0.02 0.01 0.04 -0.00 -0.03 0.00 -0.00 -0.02 0.02 -0.02 0.19 0.15 0.01 -0.00 0.02 -0.01 -0.01 0.03 0.00 -0.02 -0.03 0.01 -0.03 -0.03 -0.01 -0.02 0.02 0.02 -0.02 0.01 0.02 -0.01 -0.07 0.00 -0.01 -0.08 -0.01 -0.02 -0.06 -0.02 -0.01 -0.01 0.04 -0.01 -0.07 -0.05 0.01 0.01 -0.01 0.01 -0.02 -0.01 -0.02 -0.02 0.02 -0.04 0.02 0.02 -0.06 -0.10 0.11 -0.13 0.05 -0.14 0.37 0.26 -0.21 0.31 0.23 0.28 -0.03 -0.10 -0.15 -0.13 0.01 0.12 -0.03 0.04 0.00 0.01 -0.01 0.01 -0.05 -0.03 0.01 -0.00 -0.06 0.07 -0.04 -0.10 -0.08 -0.05 0.05 -0.04 -0.10 0.16 0.04 -0.04 -0.10 0.12 0.07 -0.00 -0.10 -0.01 0.08 -0.05 -0.12 -0.04 0.05 0.07 -0.03 0.09 -0.01 -0.07 0.00 -0.00 -0.08 -0.01 -0.07 -0.04 0.05 -0.01 0.05 0.10 0.05 0.01 -0.01 -0.00 -0.11 -0.09 -0.04 -0.06 0.01 0.06 -0.05 -0.07 -0.12 0.04 0.11 0.07 0.05 -0.01 -0.06 -0.14 -0.03 -0.05 -0.03 0.07 -0.00 -0.05 0.05 0.01 0.01 0.05 -0.07 -0.03 0.01 0.07 -0.02 -0.06 0.04 -0.03 -0.09 0.02 -0.03 -0.04 0.04 -0.07 0.07 -0.05 0.15 0.03 -0.01 -0.01 -0.01 0.07 -0.09 0.06 -0.02 0.06 0.02 -0.01 0.04 -0.07 -0.01 0.05 -0.06 0.02 0.04 -0.06 -0.05 0.02 -0.01 -0.03 -0.03 0.05 -0.06 0.01 0.02 0.06 0.02 -0.06 0.09 0.05 0.05 -0.15 -0.04 0.11 -0.15 -0.03 -0.10 0.13 0.01 -0.13 0.14 -0.04 0.03 0.04 -0.05 -0.10 0.03 -0.04 -0.07 -0.01 0.01 -0.06 0.02 -0.13 0.20 0.11 -0.16 -0.01 0.12 0.19 0.13 -0.17 0.02 -0.06 -0.14 0.36 -0.01 0.02 -0.03 0.01 -0.03 0.00 -0.04 -0.03 -0.01 0.02 0.12 -0.06 -0.03 -0.06 -0.11 0.17 0.21 -0.17 0.15 -0.08 0.14 0.10 0.00 -0.03 -0.13 0.08 0.07 -0.03 0.03 -0.01 -0.09 -0.04 0.08 -0.04 -0.10 0.04 -0.00 -0.09 0.03 0.01 -0.09 0.03 0.01 0.12 -0.01 -0.05 0.13 -0.01 -0.05 0.04 0.09 -0.16 0.01 0.06 -0.05 -0.09 0.09 -0.01 0.04 0.04 -0.02 -0.00 -0.01 -0.01 0.01 -0.05 -0.06 0.02 -0.06 -0.08 0.02 -0.05 -0.04 0.03 0.12 -0.07 0.08 0.16 0.11 -0.01 -0.02 -0.03 0.09 -0.09 0.04 0.05 -0.00 -0.02 -0.00 -0.05 0.07 -0.02 -0.09 0.07 -0.05 -0.08 0.07 -0.01 -0.08 0.02 -0.03 0.02 -0.02 -0.01 0.02 -0.03 -0.12 0.01 0.04 0.02 -0.01 -0.07 -0.04 0.02 0.01 -0.02 -0.02 -0.04 0.00 -0.07 -0.05 0.01 -0.06 -0.08 0.02 -0.06 -0.08 0.03 -0.07 -0.07 0.01 -0.03 -0.05 0.03 0.18 -0.20 -0.04 0.21 0.01 0.15 0.24 0.03 0.13 0.26 0.19 0.01 0.09 0.23 0.03 -0.06 -0.02 -0.02 0.02 -0.08 -0.04 0.00 0.03 0.15 -0.09 -0.04 -0.00 -0.09 0.14 0.20 -0.14 0.12 0.14 -0.06 -0.07 -0.05 -0.01 0.11 -0.07 -0.09 0.07 -0.06 -0.05 0.07 -0.03 -0.09 0.07 0.03 -0.11 0.01 -0.00 -0.01 -0.02 0.03 0.00 -0.04 -0.23 0.07 0.08 -0.12 0.08 0.02 -0.13 -0.12 0.09 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.01 -0.01 0.03 0.02 -0.01 -0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.02 -0.02 0.03 0.02 0.02 -0.02 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.02 -0.01 0.01 -0.02 0.01 -0.04 0.07 0.05 -0.06 0.05 0.06 0.05 -0.03 -0.06 -0.05 -0.05 -0.04 0.04 -0.00 -0.03 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.00 0.07 -0.02 0.09 -0.00 -0.07 -0.07 -0.03 0.10 -0.01 0.19 -0.33 0.01 0.01 0.24 -0.22 -0.27 0.01 0.31 -0.00 -0.24 0.25 0.38 0.23 -0.08 -0.28 0.13 -0.26 -0.01 -0.03 -0.02 0.02 0.04 0.03 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 -0.02 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.04 0.02 0.03 0.05 0.02 -0.01 -0.03 -0.04 -0.04 -0.02 0.01 0.00 -0.03 0.01 0.01 0.03 0.01 -0.01 0.02 0.00 -0.01 -0.03 -0.01 0.00 0.00 0.00 0.02 0.00 -0.00 0.02 0.03 0.00 -0.02 0.04 -0.02 0.00 0.02 -0.00 0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.02 0.02 -0.01 -0.03 0.01 -0.00 0.02 0.02 0.01 0.02 0.02 -0.03 0.04 -0.01 0.00 -0.06 -0.03 0.04 -0.05 -0.02 -0.05 0.01 0.01 0.05 0.03 -0.00 0.00 0.02 -0.01 0.03 0.03 0.01 -0.03 0.03 0.01 -0.01 0.32 -0.11 0.44 -0.01 -0.40 -0.35 -0.16 0.45 -0.08 -0.09 0.15 0.02 0.00 -0.13 0.14 0.14 -0.02 -0.14 -0.05 0.01 0.02 0.01 0.01 -0.04 -0.06 0.02 -0.04 0.02 -0.04 -0.05 0.01 0.02 0.02 0.03 0.00 0.01 0.01 -0.03 -0.01 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.00 -0.05 0.03 0.01 -0.01 0.02 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 0.02 0.05 0.02 0.02 -0.00 -0.00 0.03 0.02 0.01 0.03 -0.03 -0.03 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.02 -0.03 -0.02 -0.03 -0.01 0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.04 -0.02 0.03 0.12 0.10 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.04 -0.09 -0.11 -0.01 -0.04 -0.03 0.01 0.04 0.04 0.02 -0.00 -0.01 0.02 -0.00 0.02 0.04 0.04 -0.02 0.05 0.01 0.07 -0.06 -0.05 0.05 -0.05 -0.04 -0.04 -0.01 0.03 0.02 0.01 0.01 -0.02 -0.01 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.03 0.04 -0.05 -0.02 -0.04 -0.06 -0.03 -0.03 0.00 -0.01 -0.07 0.01 -0.03 -0.04 0.00 0.05 -0.06 -0.03 0.02 0.02 0.04 0.10 -0.13 -0.14 -0.09 0.04 0.15 -0.04 0.13 -0.06 -0.23 -0.18 0.09 0.27 0.24 0.01 0.01 -0.03 0.01 -0.01 -0.01 0.02 -0.00 -0.02 -0.06 -0.11 -0.13 0.02 0.08 0.02 -0.00 0.04 0.08 -0.23 0.13 0.24 0.41 0.10 -0.06 -0.12 -0.31 -0.29 -0.04 -0.01 0.02 -0.03 0.01 0.02 0.04 -0.01 -0.01 0.01 -0.01 -0.03 0.01 0.00 -0.03 0.04 0.02 -0.00 0.00 0.01 0.01 0.06 -0.08 0.01 0.04 0.04 0.01 -0.00 0.01 0.03 -0.05 0.00 -0.01 0.02 -0.06 -0.03 0.03 0.00 0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.00 -0.03 -0.01 0.01 -0.04 0.03 0.01 -0.03 0.02 -0.02 0.06 0.02 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.04 -0.00 0.00 -0.01 0.01 -0.01 -0.04 0.08 0.03 0.05 0.08 0.04 -0.05 -0.00 0.03 0.01 0.08 -0.10 0.09 0.09 -0.13 -0.04 -0.07 0.12 -0.22 0.07 0.25 0.20 0.11 -0.19 0.08 -0.16 0.29 0.07 -0.06 -0.22 0.23 0.19 -0.02 -0.20 -0.13 -0.16 0.23 0.19 0.13 -0.06 -0.29 0.03 -0.22 -0.01 -0.10 -0.06 0.06 0.04 0.04 0.02 0.01 0.01 0.01 -0.01 -0.03 -0.02 0.02 -0.00 -0.04 -0.01 -0.01 -0.04 0.05 0.00 -0.06 0.04 0.02 -0.09 0.06 0.05 0.08 0.05 -0.03 -0.07 -0.05 -0.10 0.04 -0.02 -0.03 0.06 -0.01 -0.03 -0.06 0.00 0.00 -0.05 -0.01 0.00 0.01 -0.02 -0.03 0.05 -0.00 -0.04 0.02 -0.02 -0.02 -0.08 0.09 -0.01 -0.06 0.00 0.01 -0.01 -0.01 0.01 0.01 -0.06 0.02 -0.03 0.09 0.06 -0.04 0.03 0.03 -0.02 0.01 0.02 -0.04 -0.00 0.01 0.02 0.01 -0.02 0.04 -0.00 -0.03 0.07 -0.01 0.03 0.06 -0.04 0.02 -0.08 -0.03 -0.02 -0.06 -0.02 0.02 -0.07 0.01 -0.02 -0.01 -0.01 -0.02 0.03 -0.06 -0.04 0.08 0.02 0.01 0.08 0.02 -0.08 -0.00 -0.01 -0.03 -0.12 0.10 -0.09 -0.12 0.14 0.04 -0.02 -0.01 0.07 -0.06 -0.05 -0.04 -0.09 0.07 0.00 -0.15 0.25 0.06 -0.08 -0.23 0.20 0.16 -0.03 -0.19 -0.03 -0.30 0.28 0.28 0.13 0.03 -0.23 -0.06 -0.22 0.01 0.15 0.11 -0.06 -0.01 -0.01 -0.09 -0.01 -0.04 -0.04 0.04 0.03 0.01 -0.05 0.00 0.03 0.01 -0.02 0.11 0.01 0.02 0.07 -0.01 0.07 -0.04 0.01 0.11 0.20 -0.00 0.00 0.01 -0.16 -0.07 0.02 0.07 0.07 0.04 0.01 0.01 -0.01 0.01 0.04 0.03 0.03 0.03 0.00 -0.02 0.00 0.02 0.00 -0.02 0.00 -0.01 -0.02 -0.01 0.03 0.02 -0.03 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.03 0.01 -0.02 -0.05 -0.03 0.01 0.04 0.04 -0.02 -0.01 -0.02 -0.01 0.02 0.00 -0.03 -0.05 -0.08 0.01 0.01 -0.00 -0.03 -0.07 -0.04 0.02 -0.01 -0.01 0.01 0.00 0.03 0.07 0.06 -0.02 0.06 0.05 0.09 -0.01 -0.05 0.04 -0.02 -0.03 -0.05 0.03 0.02 0.01 0.03 0.02 -0.05 -0.01 -0.00 -0.03 0.02 0.07 -0.04 -0.02 0.08 0.06 -0.04 0.01 -0.02 -0.07 -0.01 -0.01 -0.01 0.03 -0.05 -0.06 0.09 0.01 -0.05 -0.05 0.04 0.03 0.01 -0.06 0.01 -0.12 0.10 0.10 0.04 0.04 -0.05 -0.04 -0.06 -0.05 -0.20 -0.16 0.05 0.16 0.15 -0.04 0.00 0.01 -0.01 0.04 0.03 0.02 0.03 -0.02 -0.04 -0.08 -0.10 -0.16 -0.16 -0.00 0.03 -0.10 -0.18 0.33 -0.18 -0.26 -0.36 -0.12 0.04 0.16 0.37 0.24 0.04 0.03 -0.05 -0.07 0.05 0.02 -0.01 -0.03 0.05 -0.02 -0.04 0.08 0.03 -0.03 0.05 0.03 0.04 -0.03 -0.02 0.01 -0.05 -0.01 0.00 0.04 -0.08 -0.05 -0.06 -0.06 0.05 -0.02 -0.01 -0.03 0.01 -0.01 0.08 -0.00 -0.00 0.07 -0.03 0.05 -0.03 0.02 0.23 -0.10 -0.02 0.00 -0.07 0.06 -0.01 -0.00 0.01 0.03 0.03 -0.07 -0.10 0.03 0.01 0.01 -0.05 0.03 -0.03 -0.06 0.10 -0.04 -0.04 0.05 0.04 -0.04 0.04 0.07 -0.08 0.05 0.05 0.08 0.03 0.04 0.09 -0.09 -0.04 0.03 -0.06 -0.04 -0.03 0.07 0.06 -0.01 0.02 -0.15 -0.07 -0.09 -0.16 -0.07 -0.05 0.00 -0.04 -0.15 -0.07 0.08 -0.00 -0.12 0.04 -0.04 -0.05 0.09 0.01 -0.02 -0.10 0.08 0.03 0.03 0.05 -0.05 -0.06 -0.05 -0.04 0.11 0.02 -0.04 0.06 -0.04 0.47 0.04 -0.01 0.27 -0.35 -0.11 0.06 0.01 0.03 0.01 -0.06 0.06 0.03 0.01 -0.06 0.05 0.02 -0.07 -0.16 0.07 -0.01 -0.20 0.07 -0.00 -0.07 -0.05 0.15 0.03 0.07 0.03 0.03 0.03 0.02 -0.01 -0.01 -0.08 -0.13 -0.05 -0.13 -0.06 0.02 -0.07 -0.02 -0.03 0.04 0.02 0.01 0.07 -0.00 -0.05 -0.02 0.05 -0.01 0.02 0.09 -0.05 0.04 -0.03 0.06 -0.02 0.02 0.14 0.12 0.02 0.12 0.10 0.01 0.01 0.03 0.04 -0.05 -0.02 -0.04 -0.11 -0.08 -0.00 -0.02 -0.02 -0.00 -0.03 -0.03 -0.01 -0.00 -0.00 -0.03 0.02 -0.03 -0.24 -0.08 0.01 -0.20 -0.11 -0.26 -0.05 0.11 -0.12 -0.03 0.04 0.00 -0.04 -0.06 -0.01 -0.00 -0.11 0.08 0.05 -0.01 0.08 -0.10 -0.15 0.09 0.01 -0.15 -0.09 0.05 -0.00 0.00 0.14 0.05 0.05 0.02 -0.09 0.10 0.07 -0.05 0.03 0.15 -0.08 0.10 0.09 -0.11 -0.03 -0.04 0.18 -0.09 -0.09 -0.04 -0.09 0.02 0.10 0.05 0.03 0.23 0.20 -0.00 0.06 0.05 0.09 -0.00 -0.08 0.04 -0.13 -0.08 -0.01 -0.11 0.03 -0.05 -0.15 -0.11 -0.08 -0.09 -0.01 0.05 -0.05 -0.12 0.09 -0.06 -0.10 -0.17 -0.03 0.01 0.05 0.12 0.12 0.01 -0.01 -0.03 -0.02 0.00 -0.00 -0.09 0.08 0.06 -0.00 0.17 -0.06 -0.06 0.07 -0.10 -0.05 -0.06 0.01 0.04 -0.03 0.04 -0.02 -0.00 0.05 -0.09 -0.00 0.02 0.12 -0.14 0.02 0.08 -0.01 0.03 -0.04 -0.06 -0.05 -0.02 -0.00 -0.04 0.01 -0.01 -0.01 0.10 -0.01 -0.01 0.01 0.02 0.04 0.00 0.01 0.01 0.02 0.02 -0.02 -0.02 0.01 0.00 -0.11 0.13 0.13 0.06 0.24 -0.18 0.05 0.27 0.07 -0.06 0.02 -0.06 -0.13 0.14 -0.12 -0.09 -0.13 -0.10 -0.07 -0.17 0.11 0.07 -0.06 0.06 0.06 0.02 0.12 0.01 -0.04 0.02 -0.17 -0.02 -0.01 -0.09 0.02 0.05 -0.04 -0.06 -0.00 0.09 -0.09 0.03 0.22 -0.22 0.16 0.14 -0.24 -0.13 0.13 -0.07 0.03 0.14 0.03 0.04 0.06 0.04 0.04 -0.09 -0.13 -0.12 0.00 0.06 0.01 0.18 0.03 0.02 0.11 -0.10 -0.01 0.05 0.06 -0.01 0.02 0.03 0.06 0.04 0.02 -0.02 0.01 0.02 0.01 -0.08 0.04 0.02 -0.02 0.03 -0.00 -0.03 -0.05 0.02 -0.14 -0.01 0.05 0.28 -0.12 -0.02 -0.03 0.01 -0.02 -0.03 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.05 0.08 -0.02 -0.01 -0.03 -0.00 -0.00 -0.01 -0.01 0.02 -0.02 0.01 0.05 -0.05 0.10 0.03 -0.11 0.07 0.01 -0.02 0.04 0.11 -0.06 0.02 0.06 0.06 -0.02 0.03 0.03 -0.04 -0.20 0.11 -0.03 -0.15 0.14 -0.10 -0.06 -0.02 -0.04 -0.05 -0.03 0.03 -0.06 -0.02 -0.03 -0.00 0.03 -0.01 0.01 -0.00 0.02 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.03 0.16 -0.20 -0.19 0.18 0.09 -0.03 -0.05 0.02 0.02 -0.03 -0.02 -0.01 -0.04 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 0.03 -0.05 0.02 0.03 0.01 0.03 0.01 -0.02 -0.00 0.17 0.00 0.14 0.07 -0.17 0.02 0.16 -0.00 -0.06 0.16 -0.15 0.10 0.16 -0.05 -0.01 0.14 0.04 -0.02 -0.23 0.15 -0.04 -0.26 0.14 -0.03 -0.15 0.13 -0.09 -0.12 0.13 -0.10 -0.16 0.14 -0.14 0.01 0.01 -0.02 0.07 -0.02 -0.01 -0.04 -0.08 -0.03 0.13 0.01 -0.02 0.06 -0.03 -0.04 0.03 -0.06 -0.01 0.04 -0.00 0.04 -0.08 -0.07 -0.02 -0.04 0.10 0.10 -0.01 0.07 0.06 -0.08 0.03 -0.06 -0.09 0.01 -0.01 -0.07 0.03 0.00 -0.03 -0.01 0.03 0.04 -0.04 0.02 -0.01 0.00 0.00 0.02 0.01 -0.02 0.02 0.01 -0.02 -0.01 0.01 -0.00 -0.04 -0.09 -0.04 0.30 0.03 -0.23 0.23 0.15 0.18 0.04 -0.07 -0.01 0.01 -0.00 -0.09 0.03 -0.11 -0.06 0.02 -0.11 0.04 0.04 -0.00 0.05 -0.11 -0.11 0.04 -0.04 -0.11 -0.06 0.18 0.22 0.09 -0.07 0.12 0.13 -0.20 0.18 0.22 0.02 0.06 0.07 -0.09 0.11 -0.02 -0.02 0.13 0.15 -0.18 0.19 -0.07 -0.14 -0.11 -0.19 -0.08 0.03 -0.06 -0.12 0.01 -0.01 -0.09 0.03 0.00 0.09 0.00 -0.02 0.07 -0.10 0.04 0.05 -0.03 0.01 0.03 -0.01 -0.00 0.02 0.00 -0.02 0.02 0.00 -0.01 -0.03 0.01 -0.00 -0.03 0.01 -0.01 -0.00 -0.02 0.02 -0.02 -0.00 0.00 -0.05 0.02 -0.01 0.04 -0.01 0.08 -0.05 -0.03 0.01 0.01 -0.07 -0.10 0.01 -0.09 -0.07 0.09 0.04 0.03 0.02 0.12 0.06 -0.03 -0.02 -0.04 0.04 0.05 0.12 -0.10 0.02 -0.06 0.04 -0.02 0.02 0.03 -0.04 -0.00 0.01 -0.02 -0.04 0.01 0.02 -0.02 0.01 0.02 0.01 -0.01 0.01 0.00 -0.02 -0.01 0.02 0.02 -0.01 0.00 0.05 -0.02 0.07 -0.16 0.04 0.09 -0.11 -0.04 -0.08 0.03 -0.07 -0.11 0.04 -0.09 -0.06 -0.08 -0.14 -0.21 -0.01 -0.25 0.07 0.09 0.06 0.04 0.02 0.20 -0.16 -0.03 0.28 0.19 -0.12 -0.04 -0.09 -0.12 -0.04 -0.03 0.08 -0.02 -0.15 0.13 0.07 0.23 -0.05 0.03 0.09 -0.04 0.03 0.19 -0.25 0.22 -0.03 -0.18 -0.13 -0.19 -0.10 -0.04 -0.10 0.05 -0.08 -0.04 0.07 0.01 0.03 0.02 0.01 0.03 0.02 0.03 0.01 0.02 0.07 -0.04 0.01 0.04 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.03 0.05 -0.03 0.01 0.05 -0.02 0.01 0.01 0.02 -0.04 -0.10 0.05 -0.01 -0.10 0.11 -0.09 -0.03 -0.01 -0.05 0.02 0.00 -0.02 0.00 0.02 0.02 0.01 0.02 0.03 -0.02 -0.02 0.00 -0.06 -0.01 -0.01 0.01 0.02 0.03 -0.02 0.00 -0.03 0.02 -0.01 0.00 0.02 -0.08 0.09 0.03 -0.06 0.05 -0.01 0.01 -0.01 0.16 -0.03 -0.04 -0.01 0.04 -0.03 -0.05 0.09 -0.08 -0.08 -0.08 0.14 0.14 -0.08 0.03 -0.04 -0.02 -0.06 0.07 -0.02 -0.06 0.05 0.02 0.02 -0.01 0.03 0.03 -0.01 0.03 0.01 0.04 0.02 0.07 0.02 0.06 -0.02 -0.02 -0.03 -0.00 -0.04 0.04 -0.11 -0.18 0.03 0.04 0.07 0.04 0.05 0.06 0.04 0.04 -0.06 0.02 0.11 -0.05 -0.01 -0.07 -0.01 0.02 -0.05 0.01 0.03 -0.02 0.05 -0.04 -0.01 0.03 0.01 0.02 0.02 0.01 0.02 0.08 -0.05 0.11 0.11 -0.10 0.02 0.31 0.07 -0.08 0.20 -0.23 -0.03 0.11 0.03 -0.04 0.05 0.03 -0.02 -0.05 -0.07 0.14 -0.06 -0.09 0.13 0.33 -0.18 0.05 0.33 -0.17 0.06 0.11 0.13 -0.22 -0.06 0.03 -0.02 0.07 0.02 -0.07 0.06 -0.02 0.03 0.02 -0.04 0.07 -0.00 -0.05 0.02 -0.08 0.03 -0.10 -0.02 0.14 -0.05 0.05 -0.03 -0.00 0.04 0.00 -0.03 0.05 -0.07 0.03 -0.01 0.07 0.07 -0.04 0.07 -0.11 -0.09 0.03 -0.02 -0.05 -0.05 0.08 -0.00 -0.09 0.10 0.01 0.01 0.02 0.00 0.06 -0.07 -0.05 -0.02 0.06 0.05 -0.02 0.01 0.10 -0.02 0.01 -0.00 -0.02 0.08 0.02 -0.08 0.05 0.07 -0.12 -0.00 0.03 -0.08 0.03 -0.20 0.04 -0.24 -0.14 -0.08 0.03 -0.05 0.18 -0.06 0.02 -0.11 0.15 0.21 -0.10 -0.09 0.02 -0.00 -0.04 -0.00 -0.02 -0.04 0.07 0.02 -0.08 0.14 -0.07 0.13 0.17 -0.15 0.18 -0.09 -0.27 -0.12 0.01 -0.01 0.11 -0.01 0.15 0.17 -0.00 0.00 0.03 -0.08 0.04 -0.13 -0.21 0.07 0.02 0.01 -0.07 0.06 0.01 -0.11 0.13 0.02 -0.09 0.08 0.11 -0.03 0.01 -0.03 -0.02 0.06 -0.04 -0.03 0.05 0.13 -0.07 0.02 0.14 -0.07 0.02 0.03 0.07 -0.11 0.03 -0.02 0.02 -0.06 -0.00 0.05 -0.04 -0.09 -0.04 0.07 -0.05 0.04 0.02 -0.04 0.01 -0.07 0.03 -0.10 -0.04 0.13 -0.05 -0.05 -0.00 -0.06 -0.04 0.02 0.04 0.03 -0.07 0.01 -0.01 0.09 0.07 0.05 -0.04 0.09 0.08 -0.03 0.02 0.05 0.06 -0.04 0.00 0.06 -0.07 -0.01 -0.02 -0.03 -0.01 -0.05 0.04 0.03 0.01 -0.03 -0.03 0.01 -0.00 -0.05 -0.14 -0.09 0.21 -0.05 -0.11 0.15 0.03 0.19 0.06 -0.10 0.01 0.02 -0.05 0.01 -0.17 0.02 -0.22 -0.14 -0.05 0.03 -0.08 0.18 -0.05 -0.06 0.06 -0.22 -0.17 0.09 0.04 0.07 0.09 0.02 -0.08 0.03 0.06 -0.13 0.07 0.10 0.11 -0.09 0.08 0.17 -0.13 0.15 -0.08 -0.26 -0.14 0.03 -0.01 0.10 0.01 0.17 0.17 -0.00 0.04 0.05 0.11 0.04 0.16 0.15 -0.11 -0.05 -0.01 0.06 -0.08 -0.01 0.06 -0.13 -0.03 0.02 -0.04 -0.09 -0.01 -0.04 0.01 0.01 -0.03 0.02 0.02 -0.03 -0.07 0.04 -0.01 -0.08 0.04 -0.01 -0.02 -0.04 0.07 -0.02 0.01 0.01 -0.01 0.02 -0.00 -0.08 0.05 -0.03 -0.00 0.06 0.03 -0.04 0.04 0.08 -0.05 0.03 0.02 0.14 0.03 -0.10 0.04 -0.05 -0.08 -0.05 -0.03 0.01 0.01 0.04 0.08 0.01 -0.14 -0.06 0.06 0.02 -0.02 0.05 -0.00 0.01 0.05 0.04 0.05 -0.03 -0.01 0.01 0.01 -0.04 -0.02 -0.01 -0.01 -0.02 -0.03 -0.00 0.02 0.00 0.00 -0.00 -0.11 0.04 -0.03 0.10 0.03 -0.07 0.06 0.08 0.13 -0.04 0.02 0.08 -0.06 0.05 0.06 -0.20 0.07 -0.13 -0.13 -0.04 0.14 0.15 -0.00 -0.10 0.10 -0.08 0.10 0.07 -0.17 -0.18 -0.08 -0.07 0.06 0.02 -0.04 -0.02 -0.04 -0.05 0.02 0.14 0.12 0.29 -0.20 -0.02 0.03 -0.10 0.04 0.19 -0.11 -0.10 0.07 -0.10 -0.15 0.03 0.05 -0.38 -0.17 0.12 0.14 0.08 -0.00 -0.10 -0.09 -0.06 -0.01 -0.05 -0.06 0.02 -0.08 -0.06 -0.13 0.07 -0.01 -0.08 -0.06 -0.04 -0.00 0.02 -0.02 -0.00 0.01 0.03 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.03 -0.03 0.04 -0.02 -0.02 0.01 -0.03 0.02 0.06 0.06 -0.08 -0.02 -0.02 -0.01 -0.05 0.01 0.06 -0.05 0.04 -0.00 0.07 0.05 -0.09 -0.10 -0.01 0.08 0.16 0.03 -0.03 0.01 0.00 0.04 0.01 -0.07 -0.01 -0.12 -0.08 0.07 -0.07 -0.00 0.02 -0.08 -0.04 -0.09 0.06 0.03 -0.04 -0.03 0.05 0.01 0.00 -0.00 0.03 0.06 0.00 -0.04 -0.01 -0.00 0.01 0.11 0.08 -0.08 -0.09 -0.04 0.08 -0.03 -0.15 -0.10 -0.04 0.03 0.05 -0.04 0.01 0.06 -0.17 0.09 -0.09 -0.11 -0.00 0.08 0.07 0.04 -0.09 -0.13 -0.01 0.03 -0.20 -0.04 0.08 0.17 -0.00 0.04 0.32 0.05 -0.05 0.10 -0.04 0.08 0.11 0.05 0.19 -0.08 -0.06 0.05 -0.08 -0.05 0.06 -0.04 -0.08 0.08 -0.05 -0.04 0.09 0.04 -0.24 -0.09 -0.19 -0.23 -0.06 0.04 0.13 0.13 0.14 0.06 0.03 0.12 -0.05 0.10 0.11 0.20 -0.13 -0.03 0.12 0.07 0.07 0.00 -0.04 0.06 0.01 -0.02 -0.06 0.03 0.00 -0.06 0.03 -0.00 0.01 -0.07 0.08 0.02 0.01 -0.00 0.01 -0.01 0.01 0.02 0.09 0.01 -0.01 0.03 0.06 0.03 -0.04 -0.01 0.02 -0.03 -0.03 -0.01 -0.01 0.03 -0.03 0.01 0.02 0.07 0.01 -0.03 0.00 0.00 0.00 -0.01 0.02 0.00 -0.06 -0.11 -0.04 -0.06 -0.08 -0.04 0.02 0.22 0.18 0.03 0.01 -0.02 -0.07 -0.01 -0.05 -0.02 -0.02 -0.00 0.04 -0.00 -0.02 0.01 -0.01 0.01 0.05 0.08 -0.02 -0.09 0.03 0.14 -0.06 -0.03 -0.03 0.04 -0.09 0.01 0.04 -0.08 -0.03 0.04 -0.05 -0.03 0.03 -0.04 -0.03 -0.02 0.00 0.03 0.08 0.07 0.01 -0.08 -0.00 0.02 -0.02 -0.07 0.03 0.18 -0.00 -0.07 0.11 -0.05 -0.03 -0.02 -0.01 -0.03 0.02 0.02 0.00 0.02 0.01 0.00 -0.01 0.04 -0.02 0.01 -0.00 -0.04 -0.03 0.07 0.02 -0.04 -0.02 0.04 -0.06 -0.20 -0.15 0.07 0.14 -0.38 0.02 -0.17 -0.22 -0.05 -0.38 0.18 -0.18 -0.26 -0.28 0.03 -0.01 -0.01 0.05 -0.00 -0.02 -0.02 0.01 0.00 -0.02 0.00 0.00 0.01 -0.04 0.04 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.11 0.18 -0.08 -0.02 0.04 0.13 0.06 -0.09 0.01 0.05 -0.07 -0.08 -0.02 -0.02 0.05 -0.03 -0.01 -0.06 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.02 0.04 0.01 0.03 0.01 0.02 0.03 0.01 0.05 -0.02 -0.06 -0.07 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.10 0.11 -0.16 0.02 -0.01 0.12 -0.01 0.01 0.12 0.11 -0.22 0.04 0.11 -0.20 -0.02 0.09 -0.10 -0.06 0.06 -0.09 -0.08 -0.05 0.02 0.04 0.10 -0.09 0.30 -0.03 -0.32 -0.30 -0.14 -0.17 0.15 0.30 -0.03 -0.12 0.03 -0.13 0.05 -0.03 -0.02 -0.05 0.05 0.03 0.01 0.03 0.02 -0.01 -0.02 0.09 -0.03 0.02 -0.00 -0.08 -0.06 0.14 0.04 0.08 0.00 0.01 0.05 0.03 0.07 0.01 -0.02 0.10 0.01 0.04 0.08 0.04 0.16 -0.09 0.05 0.11 0.10 -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 -0.02 0.03 -0.04 0.04 -0.04 -0.02 0.03 -0.05 0.00 -0.01 0.00 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.13 0.01 0.10 0.04 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.10 -0.02 0.02 0.06 0.10 -0.16 0.22 -0.03 0.01 -0.01 -0.02 0.04 0.15 -0.10 0.04 0.08 -0.02 -0.02 -0.10 0.00 0.05 -0.03 0.03 -0.02 0.04 0.04 -0.06 -0.00 -0.02 0.01 0.01 -0.04 -0.02 0.01 -0.02 0.00 0.01 -0.03 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.15 0.04 -0.00 -0.25 0.02 0.14 0.08 0.00 0.05 0.18 0.05 -0.02 -0.02 -0.03 0.10 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.35 -0.08 -0.03 0.08 0.15 -0.10 -0.22 -0.18 0.18 -0.16 0.28 -0.24 -0.18 -0.15 0.18 0.13 -0.16 -0.01 -0.11 0.01 0.04 -0.11 0.01 0.04 0.03 -0.01 -0.01 0.03 -0.00 -0.01 -0.05 0.10 -0.11 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.04 -0.02 0.00 -0.06 -0.04 -0.01 -0.04 -0.01 -0.03 -0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.03 0.02 0.02 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.03 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.01 0.12 0.15 -0.27 0.18 0.00 0.28 0.28 0.16 -0.39 0.17 0.10 0.47 0.06 0.18 0.26 0.18 0.06 -0.29 0.03 -0.02 0.02 0.00 0.01 0.00 0.01 0.01 0.02 -0.01 -0.02 0.02 0.05 -0.00 -0.03 0.02 -0.02 -0.00 0.04 0.01 0.03 0.04 0.01 0.03 0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.02 -0.02 0.01 0.03 0.02 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.02 0.01 -0.03 -0.06 -0.07 0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.11 0.01 -0.08 -0.06 -0.07 -0.01 0.00 -0.02 0.02 -0.02 -0.03 0.02 0.00 0.01 0.02 0.00 0.02 0.00 0.01 -0.01 0.01 0.03 0.02 -0.03 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.02 0.05 0.01 -0.01 -0.03 0.02 -0.02 -0.02 -0.02 0.00 -0.01 0.02 0.03 0.01 -0.10 0.15 0.26 0.21 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.00 -0.02 -0.01 -0.08 0.04 -0.03 -0.04 -0.10 -0.08 -0.04 0.11 -0.05 -0.03 -0.13 -0.02 -0.05 -0.07 -0.05 -0.02 0.10 -0.00 0.01 -0.02 -0.03 -0.05 0.16 0.08 -0.07 -0.08 -0.01 0.00 0.02 -0.02 -0.00 0.02 -0.05 -0.01 0.04 -0.01 -0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.02 0.02 0.00 -0.01 -0.00 0.04 -0.12 -0.13 0.03 0.16 0.19 0.02 0.04 -0.10 0.01 -0.09 -0.02 0.01 -0.11 0.05 -0.14 -0.45 -0.53 0.04 0.09 -0.05 -0.07 0.02 0.10 -0.02 0.02 0.04 -0.06 0.08 -0.04 0.00 -0.02 0.05 0.07 -0.18 0.25 -0.14 0.15 -0.05 0.04 -0.03 0.05 -0.01 0.03 0.04 -0.02 0.02 -0.02 -0.03 0.01 -0.02 -0.01 -0.01 0.01 -0.03 -0.02 -0.05 0.05 0.00 -0.01 0.02 0.01 0.02 0.01 -0.02 -0.01 -0.05 0.02 -0.05 -0.09 -0.04 0.08 -0.04 0.02 0.03 0.01 -0.02 0.02 0.18 0.13 -0.21 0.12 -0.16 -0.11 -0.01 0.01 0.01 -0.03 0.05 -0.05 0.00 -0.05 0.04 -0.06 0.08 0.07 -0.03 0.04 0.01 0.05 -0.00 -0.06 -0.00 0.06 0.04 0.02 0.04 0.07 0.03 0.04 -0.09 0.00 -0.02 0.02 -0.08 -0.07 0.02 0.07 -0.03 -0.08 0.06 0.04 -0.08 -0.08 -0.01 0.01 0.09 0.06 -0.09 0.01 0.00 0.00 0.03 0.02 0.02 0.03 0.02 0.02 0.01 -0.01 -0.02 0.02 -0.03 -0.03 -0.00 0.01 -0.00 0.04 0.07 -0.00 -0.19 -0.11 0.02 0.13 0.08 -0.08 0.08 -0.20 0.14 0.09 0.02 -0.05 0.29 0.34 -0.01 -0.17 0.00 0.02 -0.12 0.07 -0.07 -0.20 0.15 -0.10 -0.18 0.08 -0.06 -0.01 -0.11 0.12 -0.01 0.00 -0.04 0.00 -0.04 -0.01 0.04 -0.08 0.07 -0.05 0.12 0.16 -0.02 0.07 -0.03 -0.05 0.04 -0.08 -0.04 -0.05 0.06 -0.06 -0.12 -0.14 0.11 0.01 -0.04 0.06 0.03 0.07 0.02 -0.07 -0.03 -0.03 -0.04 0.00 0.02 0.08 0.04 0.01 -0.03 -0.03 0.00 -0.00 -0.01 -0.02 -0.05 0.01 0.03 0.10 0.08 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.13 0.04 -0.12 0.15 0.21 -0.14 0.19 0.09 -0.00 -0.08 0.04 -0.04 0.04 -0.10 0.02 0.00 -0.04 -0.04 0.07 -0.11 -0.06 -0.01 0.05 -0.11 -0.04 -0.38 -0.17 0.06 0.02 0.13 0.08 -0.15 -0.10 -0.01 0.01 0.18 0.10 -0.17 -0.01 0.00 -0.04 0.12 0.08 0.05 0.15 0.09 0.07 0.06 -0.04 -0.11 0.10 -0.10 -0.15 -0.03 0.08 0.02 -0.01 0.21 0.21 -0.02 -0.12 -0.14 -0.02 -0.04 0.07 -0.01 0.06 -0.01 -0.02 0.06 -0.03 -0.00 -0.05 0.01 0.03 0.04 -0.02 -0.00 -0.01 0.06 0.04 -0.03 0.04 0.02 0.03 -0.01 -0.00 0.04 -0.02 -0.02 -0.02 0.02 -0.01 -0.00 -0.01 -0.02 0.01 0.02 -0.09 -0.00 0.01 -0.00 -0.01 -0.00 0.10 -0.01 0.06 0.06 0.02 -0.01 0.02 -0.06 -0.01 0.04 0.03 -0.02 -0.07 -0.06 -0.07 -0.01 0.06 0.03 -0.01 -0.03 -0.01 0.03 0.07 -0.01 -0.02 0.00 -0.02 -0.00 -0.06 0.06 -0.02 0.02 -0.05 -0.01 0.04 0.02 0.03 -0.00 -0.02 0.01 -0.01 -0.00 0.07 0.06 0.04 0.09 0.15 -0.28 0.09 0.11 0.31 -0.09 0.17 -0.03 0.13 -0.16 0.06 -0.03 -0.13 -0.21 -0.03 -0.18 0.31 0.02 0.02 -0.05 0.06 0.07 -0.27 -0.08 0.14 0.15 -0.05 -0.05 0.02 0.12 -0.00 -0.07 0.10 -0.03 -0.05 -0.08 -0.01 -0.04 -0.18 -0.07 -0.12 -0.06 -0.01 -0.03 -0.07 0.07 0.10 -0.05 0.06 0.08 -0.00 -0.03 -0.01 -0.08 0.15 0.15 0.01 -0.09 -0.16 0.00 -0.06 0.08 0.00 -0.07 0.09 0.00 -0.02 0.04 0.01 0.12 0.04 0.01 0.05 -0.04 0.01 0.01 0.03 -0.02 0.01 0.03 -0.05 0.05 -0.03 0.03 -0.05 0.08 0.01 0.02 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 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 -0.00 0.01 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 -0.03 -0.05 -0.04 -0.02 -0.03 -0.03 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.01 -0.03 0.01 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 0.03 0.01 0.01 -0.02 0.01 -0.01 0.00 0.01 0.00 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.03 0.05 0.05 0.05 0.45 -0.22 0.09 -0.11 0.49 0.19 -0.15 0.40 -0.08 0.42 -0.19 0.05 0.15 0.10 -0.06 -0.01 0.05 -0.00 -0.00 0.01 -0.02 0.02 -0.06 0.05 -0.02 -0.02 0.01 0.01 0.02 -0.06 0.03 -0.07 -0.07 -0.02 0.02 0.05 -0.00 0.06 -0.06 -0.01 0.01 0.07 0.05 0.08 0.01 -0.06 -0.03 0.03 -0.03 0.02 0.09 0.08 -0.10 -0.03 0.04 -0.05 -0.01 -0.14 0.16 -0.05 0.09 -0.09 -0.07 0.02 -0.01 0.08 0.01 -0.06 0.05 -0.03 0.00 0.05 0.06 -0.05 0.02 -0.17 0.09 -0.02 -0.08 -0.14 0.00 -0.11 0.10 -0.07 0.02 -0.09 -0.00 0.05 0.02 -0.07 0.14 -0.14 -0.09 0.02 0.03 0.12 0.11 -0.13 -0.08 0.09 0.15 -0.03 -0.04 0.09 0.10 0.02 -0.00 -0.15 -0.08 0.14 0.03 -0.00 -0.01 0.18 0.09 0.10 0.11 0.04 0.03 0.09 -0.08 -0.13 0.09 -0.07 -0.11 -0.02 0.08 0.03 -0.12 0.03 0.07 0.17 0.02 -0.16 -0.02 -0.15 0.15 -0.00 -0.17 0.17 -0.01 -0.16 0.17 -0.07 0.19 -0.02 0.01 0.06 -0.07 0.03 0.03 -0.01 -0.07 0.04 0.03 -0.10 0.06 -0.03 0.08 -0.17 0.21 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.02 0.03 0.02 0.08 0.04 -0.02 0.01 -0.03 -0.01 -0.04 -0.09 0.05 0.04 0.03 -0.04 -0.02 -0.01 -0.03 -0.02 -0.01 0.02 -0.03 -0.00 -0.05 -0.01 0.07 0.03 -0.02 -0.06 -0.02 0.02 0.06 0.02 0.00 -0.00 -0.01 0.00 -0.02 0.01 -0.02 -0.03 -0.03 0.01 0.05 0.03 0.01 0.00 -0.00 0.01 0.00 0.00 -0.04 0.03 0.03 -0.13 -0.04 0.25 -0.10 -0.05 -0.30 0.13 -0.14 -0.04 -0.11 0.19 0.05 0.09 0.09 0.36 0.20 0.02 -0.25 0.19 -0.09 0.03 0.07 0.05 -0.05 -0.08 -0.01 -0.02 -0.03 0.00 -0.00 -0.08 -0.02 0.03 0.00 0.02 -0.02 0.11 0.02 0.12 -0.10 -0.10 -0.00 -0.18 -0.12 -0.05 -0.09 0.07 0.13 -0.12 0.08 0.14 0.03 -0.12 -0.04 -0.01 0.17 0.17 -0.02 -0.16 -0.17 -0.01 -0.04 0.06 -0.00 0.01 0.02 -0.01 0.02 -0.00 0.06 0.15 0.14 0.00 -0.03 0.01 -0.01 0.01 -0.04 -0.02 0.02 -0.03 -0.00 -0.03 0.02 0.00 -0.03 0.01 -0.04 0.03 0.02 0.01 0.01 0.02 0.01 -0.05 0.02 -0.02 0.06 0.07 -0.01 0.01 -0.03 0.00 -0.04 0.02 0.05 0.00 -0.01 -0.06 -0.01 -0.06 0.05 -0.01 -0.01 -0.03 -0.02 -0.04 -0.00 0.04 0.02 0.04 0.05 0.06 0.04 -0.04 -0.07 0.01 0.00 -0.05 0.00 -0.05 0.06 0.01 0.11 0.04 -0.06 -0.06 -0.05 0.04 0.01 -0.03 0.03 -0.02 0.00 -0.12 -0.13 -0.02 -0.09 0.09 0.13 -0.09 0.10 -0.00 0.04 -0.03 -0.04 -0.04 0.08 0.00 0.05 -0.00 0.10 0.10 -0.05 -0.06 0.11 -0.06 0.02 -0.17 -0.12 0.06 -0.06 -0.12 -0.14 0.10 0.08 -0.12 -0.14 -0.01 0.04 0.07 0.09 -0.09 0.02 0.01 0.04 -0.12 -0.07 -0.05 -0.08 -0.04 -0.01 -0.07 0.07 0.09 -0.06 0.03 0.06 0.01 -0.06 -0.03 0.03 -0.21 -0.16 0.20 0.26 0.19 -0.04 -0.07 0.05 -0.01 -0.03 0.01 -0.02 -0.11 0.10 -0.21 -0.31 -0.37 -0.00 0.04 -0.04 0.02 0.01 -0.00 -0.02 0.01 0.03 -0.04 0.03 -0.01 0.05 -0.08 0.11 0.14 0.04 -0.11 -0.04 -0.03 0.07 -0.00 0.02 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.03 -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.05 0.00 -0.05 0.01 -0.05 -0.03 -0.06 0.06 0.05 0.13 -0.05 0.05 -0.11 0.03 -0.10 -0.02 0.08 -0.11 0.04 0.00 0.05 0.05 0.01 0.00 -0.03 0.02 -0.01 -0.00 -0.03 0.01 -0.03 0.02 -0.01 0.01 -0.01 0.01 0.00 0.04 0.01 0.01 -0.04 0.01 -0.01 0.01 0.06 0.05 -0.16 -0.04 0.07 0.09 -0.05 -0.04 0.04 0.05 -0.00 -0.02 -0.01 -0.03 0.02 0.02 0.00 0.01 0.01 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.05 0.10 0.10 0.02 -0.01 -0.05 0.06 0.01 -0.01 0.04 -0.21 0.18 0.05 -0.03 0.01 -0.19 -0.17 -0.35 0.08 -0.09 0.09 0.08 -0.11 0.09 0.20 -0.12 0.00 0.21 -0.06 0.03 -0.17 0.40 -0.42 0.02 0.02 -0.06 -0.02 -0.04 0.04 -0.00 -0.03 0.00 -0.01 0.01 0.03 -0.01 0.01 -0.02 0.01 0.01 0.00 0.01 -0.00 0.01 -0.05 0.04 0.00 0.03 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.02 0.04 0.03 0.02 -0.06 -0.05 0.02 0.07 0.01 0.01 -0.03 0.06 -0.03 -0.04 -0.14 0.01 0.02 0.07 -0.02 -0.00 0.01 -0.02 0.00 0.01 -0.09 -0.11 -0.04 -0.02 0.05 0.01 -0.01 0.03 0.04 -0.01 0.03 -0.03 0.01 0.00 0.01 -0.01 -0.01 -0.03 0.00 -0.03 0.03 0.00 0.00 -0.00 -0.11 -0.08 0.22 0.03 -0.12 -0.13 0.11 0.07 -0.09 -0.09 0.01 0.04 0.01 0.06 -0.03 -0.02 0.00 -0.01 -0.03 -0.01 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.04 -0.22 -0.20 0.11 0.07 0.06 -0.02 -0.02 -0.01 -0.00 -0.06 0.02 -0.01 -0.13 0.11 0.17 0.59 0.43 0.04 -0.04 0.02 0.03 -0.03 0.01 0.07 -0.05 -0.00 0.08 -0.04 0.03 -0.05 0.11 -0.13 -0.02 0.02 -0.01 -0.00 -0.01 0.02 0.01 0.03 0.05 0.02 -0.05 -0.05 0.00 -0.04 -0.02 0.02 0.02 0.05 -0.05 0.05 0.01 -0.07 0.07 -0.02 0.04 0.01 0.03 -0.03 0.02 0.06 0.03 -0.01 -0.06 -0.02 -0.06 -0.03 0.02 0.04 0.04 0.02 -0.01 -0.03 0.01 -0.03 0.01 0.01 0.03 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.17 -0.06 0.03 -0.01 0.05 -0.07 0.07 -0.08 -0.01 0.00 0.06 -0.07 0.06 -0.06 0.05 -0.05 -0.01 -0.06 -0.02 -0.06 0.15 -0.15 -0.09 -0.20 0.03 -0.01 0.29 -0.01 -0.17 -0.20 -0.05 0.02 -0.09 -0.20 -0.06 0.04 0.18 0.11 -0.19 -0.15 -0.15 -0.23 0.33 0.17 0.10 0.11 -0.01 -0.11 -0.03 -0.06 0.07 -0.08 0.01 0.08 0.08 -0.24 -0.14 0.09 0.12 0.12 0.03 -0.14 -0.13 -0.03 -0.07 0.08 -0.01 0.04 -0.01 -0.02 0.00 0.02 -0.05 -0.07 -0.11 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.02 0.01 -0.03 -0.03 -0.01 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.03 -0.02 -0.04 0.05 0.00 0.03 -0.01 0.01 0.05 -0.01 -0.04 -0.06 -0.03 0.03 -0.01 -0.05 -0.03 0.01 0.03 0.03 0.01 -0.01 -0.02 0.01 -0.02 0.01 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.13 -0.04 0.02 0.00 0.01 -0.05 0.05 -0.07 -0.01 -0.02 0.06 -0.02 0.02 -0.02 0.05 -0.04 0.03 -0.07 -0.05 0.02 0.04 0.03 0.24 0.19 0.03 0.00 0.22 0.01 -0.11 -0.12 0.02 0.04 -0.08 -0.14 -0.02 0.04 0.08 0.08 -0.09 0.15 0.19 0.24 -0.34 -0.15 -0.11 -0.05 0.06 0.16 0.20 -0.12 -0.25 0.16 0.06 -0.06 -0.07 0.35 0.25 0.06 0.10 0.09 0.01 -0.12 -0.10 -0.02 -0.04 0.05 -0.01 0.03 -0.00 -0.01 0.01 0.01 -0.03 -0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.05 -0.04 0.01 0.02 0.04 -0.06 0.04 0.00 -0.01 0.04 -0.08 0.09 -0.04 0.04 0.00 0.07 0.08 -0.00 -0.05 -0.06 -0.04 -0.07 -0.01 0.04 0.03 0.07 0.00 -0.04 -0.06 0.02 0.03 0.04 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.09 -0.08 -0.04 -0.00 0.11 -0.01 -0.05 -0.03 0.03 0.02 -0.05 -0.05 0.10 0.07 -0.10 0.12 -0.11 0.01 -0.04 -0.04 -0.01 -0.06 -0.08 0.08 0.04 0.23 0.10 -0.04 -0.02 0.32 0.14 -0.08 0.04 0.10 0.08 -0.28 -0.00 0.22 -0.20 -0.05 -0.18 -0.08 0.02 -0.12 0.14 0.10 0.04 -0.22 0.30 0.19 -0.00 -0.19 -0.19 -0.10 -0.00 -0.09 0.08 0.13 0.09 -0.04 -0.17 -0.14 0.01 -0.01 0.02 0.00 -0.00 0.03 0.01 0.04 -0.03 -0.02 -0.07 -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 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.08 0.08 0.02 0.05 -0.00 -0.08 -0.04 -0.02 0.07 0.00 0.05 -0.08 0.06 -0.03 0.02 -0.01 -0.05 -0.09 -0.04 0.01 0.10 -0.03 -0.06 0.00 0.03 0.00 0.07 -0.02 0.01 0.06 -0.02 -0.01 -0.04 -0.00 0.01 0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.12 0.11 -0.03 -0.00 0.02 0.08 -0.19 -0.15 0.05 0.01 -0.02 -0.01 0.03 0.16 -0.16 0.17 -0.15 -0.03 -0.03 -0.00 -0.10 0.07 -0.08 -0.04 -0.03 -0.19 -0.13 -0.01 -0.03 -0.30 -0.10 0.03 -0.24 -0.12 0.03 0.21 0.05 -0.20 -0.17 -0.03 -0.15 -0.06 0.03 -0.11 0.15 0.11 0.05 -0.14 0.25 0.08 0.07 -0.19 -0.24 -0.13 0.13 -0.01 -0.09 -0.09 -0.03 0.04 0.12 0.09 -0.02 -0.01 -0.00 -0.00 0.01 -0.03 -0.01 -0.03 0.03 0.01 0.04 0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 0.02 -0.00 0.02 -0.00 -0.00 -0.03 -0.02 0.02 -0.00 -0.01 -0.07 -0.06 -0.00 -0.01 -0.01 -0.02 0.00 0.01 0.09 -0.06 0.06 -0.07 0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.07 -0.01 -0.04 -0.02 0.02 0.04 -0.00 -0.02 -0.02 0.02 -0.00 -0.05 0.00 0.01 -0.00 -0.04 0.02 -0.03 -0.01 -0.00 0.01 -0.06 -0.21 -0.21 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.04 -0.03 0.05 0.04 -0.00 -0.01 -0.02 -0.03 0.03 -0.16 0.10 -0.09 -0.18 0.07 -0.21 0.40 0.35 0.30 0.07 -0.18 0.05 -0.16 0.32 0.38 0.11 -0.11 0.05 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.05 -0.03 -0.02 -0.03 0.05 0.11 0.01 0.02 0.06 -0.06 0.08 -0.04 0.05 -0.12 -0.00 0.05 0.04 0.01 0.03 0.04 -0.06 -0.02 -0.03 -0.10 0.04 0.03 -0.03 -0.02 -0.03 0.02 -0.04 -0.02 -0.00 0.02 -0.03 -0.02 -0.01 0.05 0.04 -0.02 -0.01 0.02 -0.00 -0.01 0.06 0.03 -0.05 -0.01 -0.02 0.02 0.00 0.02 -0.03 0.03 -0.03 0.02 0.46 -0.07 -0.19 -0.06 0.08 0.12 0.03 -0.10 0.02 -0.02 0.11 -0.17 -0.02 0.11 -0.03 -0.04 0.03 -0.02 0.03 -0.07 0.10 0.03 0.08 0.09 -0.17 -0.09 -0.00 0.01 -0.01 -0.03 -0.27 -0.21 0.30 0.28 -0.02 -0.13 -0.06 -0.20 0.14 -0.01 0.00 0.01 -0.06 -0.04 -0.02 -0.06 -0.03 -0.02 0.03 -0.02 -0.05 0.05 -0.05 -0.07 0.00 0.01 -0.00 0.06 -0.04 -0.08 -0.09 -0.13 -0.05 -0.04 -0.06 0.05 -0.02 0.09 -0.07 -0.03 -0.01 0.03 0.05 0.01 -0.08 -0.03 0.03 -0.03 -0.03 0.04 -0.03 0.01 -0.02 0.03 0.00 -0.03 0.02 0.04 -0.07 0.07 -0.08 0.08 -0.06 -0.03 -0.05 0.09 -0.07 -0.01 0.03 -0.05 -0.01 -0.08 0.07 0.00 0.08 -0.05 -0.02 -0.06 0.01 -0.07 -0.03 -0.00 -0.03 0.03 0.06 0.04 -0.01 0.02 0.01 0.01 0.01 0.05 0.05 -0.01 0.04 -0.03 -0.05 -0.02 0.08 0.05 -0.03 0.01 0.03 0.01 -0.02 0.11 0.05 -0.09 -0.01 -0.04 0.04 -0.02 0.05 -0.05 0.06 -0.06 0.04 -0.08 0.15 0.19 0.15 -0.19 -0.19 -0.02 0.15 0.05 -0.05 -0.09 0.22 -0.02 -0.07 -0.12 0.07 -0.02 0.08 -0.12 0.24 -0.20 0.09 -0.19 -0.03 -0.10 -0.03 -0.08 0.09 0.12 0.12 -0.06 -0.02 -0.02 0.05 -0.01 -0.07 0.17 0.02 -0.12 0.05 0.01 0.03 0.02 0.00 0.01 0.01 0.01 0.02 -0.14 0.17 0.15 -0.06 -0.05 -0.02 -0.04 -0.03 -0.05 0.00 -0.05 -0.11 -0.21 -0.14 -0.03 -0.04 -0.04 0.04 -0.02 0.12 -0.10 -0.03 0.00 0.01 0.14 0.01 -0.12 -0.07 0.08 -0.06 -0.07 0.07 -0.06 0.01 -0.03 0.06 0.00 -0.05 0.04 0.08 -0.14 0.14 -0.03 0.03 -0.03 -0.02 -0.02 0.04 0.04 0.01 -0.04 -0.00 0.13 -0.03 -0.03 -0.08 0.09 0.09 -0.04 0.02 -0.03 0.05 -0.02 0.01 -0.04 -0.00 -0.04 -0.07 -0.02 -0.01 0.01 0.02 -0.03 -0.03 -0.03 0.00 0.03 -0.01 -0.02 -0.02 0.02 0.02 -0.02 0.01 0.01 0.01 -0.01 0.05 0.02 -0.04 0.00 -0.02 0.02 -0.01 0.02 -0.02 0.03 -0.03 0.02 -0.00 0.17 0.13 -0.19 0.24 0.11 -0.00 -0.09 -0.16 0.11 -0.03 -0.05 0.07 -0.04 0.27 -0.06 0.03 -0.09 0.12 -0.24 0.13 -0.19 0.19 -0.09 -0.05 -0.01 -0.16 -0.01 0.08 0.09 0.27 0.15 -0.10 -0.08 0.09 0.14 -0.29 0.01 0.20 -0.05 -0.03 -0.06 0.08 0.05 0.03 0.04 0.01 -0.03 0.14 -0.16 -0.15 0.05 0.09 0.04 0.02 0.07 0.08 -0.02 -0.01 -0.04 -0.10 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.00 0.01 -0.01 0.07 0.01 -0.05 -0.04 0.04 -0.03 -0.04 0.04 -0.03 0.00 -0.01 0.03 -0.00 -0.02 0.02 0.04 -0.07 0.07 -0.01 0.02 -0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.01 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 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.04 -0.04 -0.03 -0.05 -0.04 0.02 0.01 0.02 -0.00 -0.01 -0.01 0.02 -0.00 -0.03 0.00 -0.01 0.01 -0.01 0.01 -0.01 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 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.07 0.04 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 0.01 0.03 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.07 0.49 0.42 0.11 0.53 0.48 0.02 -0.02 0.06 0.00 0.02 0.04 0.01 0.08 -0.05 0.04 0.04 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.02 -0.03 0.03 -0.09 0.00 0.05 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.02 0.02 -0.03 0.01 -0.01 0.03 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.02 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.03 -0.04 -0.03 0.05 0.03 0.00 -0.02 0.08 -0.02 -0.01 -0.02 0.03 -0.02 -0.03 0.01 -0.00 0.20 -0.10 0.03 -0.11 0.09 -0.06 0.09 0.08 0.07 -0.02 0.05 -0.03 -0.00 0.02 -0.01 -0.01 -0.01 0.05 0.02 -0.04 0.01 0.01 -0.01 0.00 -0.03 0.04 -0.02 -0.00 -0.02 -0.02 -0.09 -0.04 -0.02 0.09 0.05 0.02 0.03 -0.00 0.03 0.08 0.03 -0.01 -0.07 -0.04 0.07 0.02 -0.00 0.01 0.02 0.00 0.02 -0.01 -0.01 -0.01 -0.02 0.02 0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.10 0.08 0.03 -0.04 0.02 0.10 -0.15 -0.22 0.21 -0.06 0.33 -0.23 -0.15 -0.02 0.11 -0.05 0.03 -0.03 0.25 -0.20 0.07 0.27 -0.15 0.11 0.06 0.01 -0.13 0.09 0.08 -0.07 -0.15 0.30 -0.32 0.04 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.06 -0.00 -0.02 0.05 -0.03 0.05 -0.03 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.14 0.03 -0.03 -0.00 -0.03 0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.08 -0.03 0.07 -0.09 0.00 0.04 -0.02 -0.04 -0.06 0.12 0.03 0.03 -0.00 0.03 -0.02 -0.01 -0.00 -0.01 -0.05 0.02 -0.00 0.02 -0.02 0.01 -0.13 -0.10 -0.12 0.04 -0.05 0.03 0.03 -0.05 0.06 -0.02 0.03 -0.03 -0.03 0.05 -0.02 0.05 -0.06 -0.01 0.05 -0.06 -0.01 0.02 -0.01 0.02 0.33 0.13 -0.04 0.05 -0.01 -0.05 0.03 0.04 -0.08 -0.15 -0.03 0.06 -0.01 0.06 -0.04 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 -0.04 -0.00 -0.02 0.03 0.04 0.03 -0.04 -0.01 -0.21 -0.02 0.09 -0.08 0.02 0.05 -0.23 -0.15 -0.01 -0.06 0.29 -0.43 -0.19 -0.29 0.32 0.00 0.07 0.01 -0.04 0.04 -0.01 -0.04 0.02 -0.02 -0.00 -0.01 0.03 -0.01 -0.02 0.02 0.02 -0.04 0.05 -0.08 0.03 -0.00 -0.02 -0.01 0.02 -0.06 0.01 -0.04 0.03 -0.04 0.05 -0.05 0.05 -0.03 0.02 -0.02 -0.00 0.01 0.04 0.02 0.09 0.00 0.01 0.04 0.00 0.02 -0.01 -0.02 -0.00 -0.01 -0.01 -0.03 -0.03 0.01 0.06 -0.02 0.01 -0.03 0.03 0.03 0.09 -0.04 -0.05 -0.07 0.05 -0.01 -0.03 0.02 -0.02 0.02 0.07 -0.02 -0.01 -0.02 0.01 -0.01 -0.21 -0.11 -0.10 0.10 -0.22 0.08 -0.01 -0.02 0.02 0.02 -0.01 -0.06 -0.12 0.20 -0.00 -0.01 0.02 -0.00 0.16 -0.20 -0.00 -0.05 0.10 -0.01 0.24 0.11 -0.05 -0.07 0.00 0.04 -0.04 0.01 -0.07 -0.13 -0.05 0.01 0.13 0.08 -0.14 -0.07 -0.01 -0.05 -0.03 0.01 -0.04 0.04 0.03 0.01 0.06 -0.08 -0.06 0.01 0.04 0.03 0.03 -0.01 0.02 -0.27 -0.16 -0.08 -0.12 -0.04 -0.07 0.12 -0.03 0.20 0.03 -0.00 0.24 0.06 0.34 -0.28 0.10 -0.08 -0.08 0.06 -0.04 0.00 0.06 -0.02 0.02 0.02 -0.01 -0.03 0.03 0.01 -0.01 -0.03 0.06 -0.07 0.05 -0.02 -0.00 0.00 0.00 -0.01 0.09 0.02 -0.03 -0.03 0.01 0.01 -0.01 0.04 0.03 0.02 -0.02 -0.04 -0.02 -0.05 -0.02 0.00 0.02 -0.02 -0.04 -0.04 0.02 0.02 0.04 -0.00 0.00 0.03 0.01 -0.02 -0.01 0.02 -0.02 -0.01 -0.00 0.02 0.09 0.05 0.01 -0.10 -0.06 -0.04 0.01 -0.01 0.00 0.01 -0.01 -0.05 0.02 0.00 0.02 -0.01 0.01 0.10 0.01 -0.04 -0.06 0.18 -0.07 0.10 -0.13 0.08 -0.12 0.13 0.06 0.08 -0.14 -0.01 0.15 -0.20 -0.04 -0.12 0.15 -0.04 0.09 -0.16 0.02 -0.02 -0.02 0.05 0.02 -0.04 -0.07 0.04 0.03 -0.02 -0.11 -0.00 0.08 -0.11 0.00 0.07 0.12 0.01 0.09 0.05 -0.02 0.07 -0.09 -0.07 -0.04 -0.06 0.05 0.08 -0.06 0.01 0.03 -0.00 -0.04 -0.03 -0.00 -0.08 -0.04 0.02 -0.05 -0.04 0.00 -0.26 0.43 -0.02 0.24 0.13 -0.07 0.35 -0.19 -0.10 -0.04 -0.07 -0.05 0.04 -0.01 -0.06 0.02 -0.02 -0.01 0.00 0.02 -0.02 -0.02 0.01 0.02 -0.05 0.05 -0.04 0.01 0.00 -0.00 -0.00 0.00 0.06 0.01 -0.02 -0.01 -0.04 0.03 -0.11 0.17 0.09 0.12 -0.14 -0.11 -0.02 -0.04 -0.06 -0.04 0.01 0.02 -0.02 -0.01 0.04 0.02 0.05 0.02 -0.03 0.04 0.01 0.01 -0.02 -0.04 0.03 0.02 -0.00 -0.01 -0.05 -0.03 -0.03 0.06 0.04 0.03 -0.01 0.01 0.00 -0.01 0.00 0.03 -0.01 -0.00 -0.01 0.01 -0.01 0.09 -0.01 -0.05 0.04 -0.06 -0.02 0.11 -0.17 0.10 -0.21 0.26 0.12 -0.17 0.22 0.06 0.25 -0.31 -0.10 0.12 -0.12 -0.13 -0.06 -0.06 -0.12 -0.12 -0.06 0.07 -0.04 -0.04 -0.03 -0.08 -0.04 0.03 -0.09 -0.04 0.02 0.04 0.01 -0.03 0.10 -0.02 0.05 0.14 0.03 0.11 -0.06 -0.08 -0.08 -0.01 0.01 0.02 -0.05 0.07 0.07 -0.01 0.02 0.02 0.05 0.10 0.07 0.03 0.02 -0.00 0.04 0.20 -0.28 0.02 -0.22 0.00 0.08 -0.18 0.07 0.06 0.01 0.04 0.02 -0.02 0.00 0.03 -0.01 0.01 0.00 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.02 -0.03 0.08 -0.03 0.00 0.01 0.01 -0.02 -0.07 -0.04 0.05 0.02 -0.01 -0.02 -0.04 0.04 0.05 0.05 -0.07 -0.02 0.02 0.04 -0.03 -0.03 -0.01 0.02 0.03 0.06 -0.03 -0.01 -0.01 0.02 -0.02 -0.02 -0.00 0.03 0.02 -0.03 -0.01 -0.03 0.02 0.00 0.05 -0.01 0.05 -0.05 -0.01 -0.06 0.02 0.00 -0.02 0.03 -0.02 -0.06 0.02 0.01 0.01 -0.01 0.01 0.03 0.02 0.08 0.09 -0.24 0.04 -0.10 0.15 -0.06 0.03 -0.04 0.04 -0.21 0.31 0.06 -0.06 0.11 0.01 0.21 -0.25 -0.04 -0.18 0.19 -0.13 -0.13 -0.06 0.01 0.12 0.08 0.06 -0.09 -0.08 0.10 0.22 0.01 -0.14 0.11 -0.06 -0.03 -0.10 -0.03 -0.09 0.04 0.05 -0.02 0.09 0.05 0.00 0.06 -0.04 -0.09 0.05 0.02 -0.02 -0.02 0.09 0.06 0.17 0.00 -0.05 0.04 -0.03 0.02 -0.08 -0.21 0.25 -0.04 0.23 -0.06 -0.10 0.08 0.01 -0.13 0.02 -0.02 -0.04 0.03 -0.00 -0.04 0.02 -0.02 -0.02 0.00 0.03 -0.02 -0.02 0.01 0.02 -0.04 0.05 0.03 -0.02 0.01 0.01 -0.00 0.00 -0.02 0.09 -0.02 0.02 -0.04 0.03 -0.03 0.04 -0.03 -0.02 0.04 -0.05 -0.01 0.04 0.12 -0.06 -0.07 0.06 0.03 -0.04 0.02 -0.01 -0.04 -0.03 0.02 0.01 -0.07 0.07 0.05 -0.08 0.02 -0.03 0.02 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.02 -0.01 -0.05 0.03 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.12 0.28 0.21 0.13 -0.24 0.04 0.16 -0.30 0.03 0.03 -0.02 -0.04 0.06 -0.09 -0.02 0.11 -0.13 -0.05 0.06 -0.08 -0.04 0.17 -0.02 0.26 -0.18 -0.05 -0.14 -0.15 0.07 0.18 0.10 0.10 -0.15 -0.19 -0.00 0.12 -0.01 0.11 -0.04 -0.04 0.04 0.01 -0.14 -0.06 -0.07 -0.02 0.03 0.06 0.04 -0.14 0.02 -0.08 0.07 0.13 0.14 -0.22 -0.09 0.13 0.07 -0.06 -0.07 0.01 0.05 -0.03 -0.03 0.03 -0.01 0.07 -0.05 -0.03 -0.01 0.02 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.03 -0.01 -0.01 0.02 -0.02 0.01 0.02 -0.01 0.01 -0.01 0.02 -0.02 -0.03 0.07 -0.08 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 0.03 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.02 -0.00 0.01 0.01 0.02 -0.03 0.00 -0.01 0.01 -0.03 -0.00 0.01 0.10 -0.06 0.03 -0.03 -0.12 0.16 0.09 0.07 -0.14 0.00 0.06 0.06 0.03 -0.05 -0.01 0.02 -0.03 0.01 0.01 -0.02 0.01 0.00 -0.01 -0.01 0.02 -0.02 -0.00 0.02 -0.02 -0.02 0.03 0.01 0.06 -0.01 -0.01 -0.01 0.04 0.02 0.00 0.03 0.01 -0.01 0.00 0.01 0.01 -0.02 0.00 0.02 -0.02 0.01 -0.01 -0.03 -0.01 -0.02 0.00 0.01 0.02 0.01 -0.03 0.00 -0.02 0.02 0.03 0.03 -0.05 -0.02 0.05 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.01 0.00 -0.02 0.02 -0.00 -0.02 0.02 -0.23 0.08 0.04 -0.08 -0.09 0.16 -0.10 -0.09 0.17 -0.37 0.33 -0.12 -0.41 0.23 -0.19 0.14 -0.29 0.30 -0.08 0.02 0.01 0.00 0.04 -0.06 0.05 -0.04 -0.01 -0.05 0.03 -0.04 0.02 0.02 0.08 -0.03 -0.01 -0.07 0.01 0.07 0.11 0.03 0.06 -0.03 -0.02 0.01 0.00 -0.02 -0.06 -0.02 0.01 0.00 -0.08 -0.05 -0.05 0.04 -0.02 0.01 0.00 0.01 0.03 -0.04 -0.01 -0.02 0.02 -0.05 -0.02 0.05 0.18 -0.09 0.04 0.03 0.04 -0.08 -0.03 -0.04 0.07 0.12 0.05 0.05 0.05 -0.05 -0.10 -0.03 0.10 0.03 0.04 -0.13 0.15 0.00 -0.05 -0.01 0.08 -0.04 0.02 0.11 -0.10 -0.13 0.12 0.11 0.25 -0.12 -0.07 0.07 0.24 0.02 -0.10 -0.05 -0.04 0.05 0.03 -0.01 -0.03 -0.01 -0.04 0.02 -0.12 0.02 -0.06 -0.13 -0.03 -0.10 0.04 0.07 0.08 0.06 -0.16 -0.01 -0.06 0.08 0.11 0.14 -0.19 -0.07 0.08 -0.02 0.06 0.10 -0.03 -0.03 -0.00 -0.01 0.00 0.01 -0.06 0.05 0.01 -0.02 0.01 -0.38 0.10 0.09 -0.10 0.10 -0.09 -0.12 0.12 -0.06 0.15 -0.13 0.04 0.17 -0.09 0.08 -0.05 0.09 -0.10 -0.05 0.02 0.00 0.00 0.03 -0.04 -0.08 0.08 0.13 0.08 -0.08 0.02 -0.05 0.01 -0.07 0.03 0.02 0.04 -0.02 -0.06 -0.07 -0.03 -0.06 -0.06 0.02 -0.02 -0.08 0.02 0.04 0.00 -0.00 0.01 0.05 0.02 0.04 0.03 -0.02 -0.01 0.00 0.00 0.02 -0.03 0.01 -0.01 0.01 -0.05 -0.01 0.03 0.14 -0.07 0.03 0.02 0.03 -0.05 -0.01 -0.02 0.04 -0.13 0.17 0.24 0.01 -0.10 0.12 0.12 -0.26 -0.04 -0.06 0.17 -0.15 -0.01 0.05 0.02 -0.02 -0.03 -0.06 -0.09 0.08 0.10 -0.07 -0.11 -0.15 0.26 0.10 -0.06 -0.05 0.06 0.05 0.26 0.10 -0.05 0.15 0.14 0.03 -0.16 0.00 0.12 0.11 0.00 0.07 0.07 0.00 0.07 -0.05 -0.05 -0.05 -0.06 0.11 0.03 0.02 -0.06 -0.06 -0.08 0.10 0.03 0.06 -0.07 -0.07 -0.03 0.03 0.04 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.01 -0.03 0.03 -0.33 0.09 0.06 -0.08 0.07 -0.06 -0.10 0.08 -0.03 0.08 -0.07 0.02 0.10 -0.06 0.05 -0.03 0.05 -0.05 0.03 -0.02 0.00 -0.00 -0.03 0.03 -0.03 -0.02 0.16 0.04 -0.03 -0.06 -0.04 0.01 0.06 0.01 0.01 -0.07 -0.02 0.02 0.08 -0.01 0.03 -0.13 -0.01 0.02 -0.09 0.00 -0.02 -0.02 0.02 0.02 -0.05 -0.07 -0.01 0.10 0.00 0.02 -0.04 0.00 -0.01 0.02 -0.02 0.01 -0.00 0.06 -0.01 -0.02 -0.11 0.05 -0.02 -0.00 -0.01 0.02 0.00 0.01 -0.02 0.01 0.07 0.24 -0.04 0.01 0.02 0.06 -0.10 -0.08 -0.03 0.08 0.02 0.01 -0.03 0.08 0.10 -0.12 -0.09 -0.01 0.00 -0.04 0.08 0.00 0.19 0.26 0.08 0.09 0.25 0.03 -0.17 0.16 0.01 0.10 0.32 0.14 -0.08 -0.15 -0.12 0.15 0.00 0.04 0.03 -0.09 -0.05 -0.04 -0.02 0.01 0.05 0.01 -0.08 0.05 -0.08 0.04 0.08 0.10 -0.17 -0.09 -0.07 -0.11 0.01 0.18 0.02 -0.04 0.04 0.05 -0.03 0.01 -0.06 0.04 0.04 0.02 -0.04 0.33 -0.11 -0.05 0.06 -0.05 0.03 0.09 -0.05 0.00 -0.03 0.02 0.00 -0.04 0.03 -0.03 0.01 -0.01 0.02 -0.02 -0.04 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.05 0.13 0.10 -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.02 0.00 -0.00 -0.44 -0.19 0.23 0.35 -0.02 -0.40 0.12 -0.17 0.34 -0.05 0.33 -0.22 0.08 0.19 0.15 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.08 0.10 0.04 -0.09 -0.08 0.02 0.09 0.05 -0.04 -0.06 -0.07 0.05 0.04 0.08 -0.06 -0.02 0.02 -0.06 -0.02 -0.08 -0.02 -0.01 -0.04 0.03 -0.01 -0.03 0.03 -0.03 -0.01 0.03 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.22 0.28 0.16 0.17 -0.17 -0.20 0.05 0.03 0.25 -0.05 -0.08 0.14 -0.09 0.10 -0.26 -0.01 0.08 0.24 0.10 -0.01 -0.13 -0.08 0.19 -0.10 -0.03 -0.02 0.00 0.03 -0.03 -0.10 0.22 0.10 -0.09 -0.12 0.07 0.16 -0.21 0.05 0.11 -0.15 -0.03 -0.12 0.01 0.08 -0.08 0.15 0.08 0.03 0.02 0.05 -0.09 0.10 -0.04 -0.09 -0.07 0.13 0.06 0.01 -0.03 0.01 0.08 0.00 -0.02 0.02 0.02 -0.01 0.00 -0.03 0.02 0.02 0.00 -0.01 0.09 -0.03 -0.01 0.03 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.05 -0.04 0.17 -0.07 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.10 0.04 0.04 -0.12 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.05 0.05 0.03 -0.06 -0.00 0.01 -0.02 0.00 0.03 -0.03 -0.01 0.00 -0.00 -0.01 -0.12 0.15 -0.09 -0.03 0.04 -0.02 0.39 -0.24 0.12 -0.02 -0.01 0.00 0.06 0.02 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.08 -0.26 -0.19 0.28 0.11 0.17 -0.07 -0.16 -0.26 0.17 -0.23 -0.18 0.06 0.25 0.17 0.05 0.19 0.27 0.01 -0.01 0.01 0.03 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 -0.06 0.00 0.02 0.04 -0.03 -0.01 -0.05 0.02 0.04 0.03 -0.04 -0.05 -0.01 0.04 0.03 -0.02 0.00 -0.01 0.02 0.02 0.03 -0.02 0.01 0.01 0.02 -0.07 -0.05 0.03 -0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 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 0.03 0.26 0.17 0.14 -0.27 0.07 0.00 -0.04 -0.00 0.12 -0.12 -0.11 0.01 0.01 0.04 -0.06 0.04 -0.07 0.05 -0.12 0.12 -0.08 -0.12 -0.11 -0.41 -0.19 -0.06 0.50 0.17 -0.01 -0.02 0.01 -0.05 -0.06 -0.03 0.02 0.03 0.04 -0.04 0.12 0.04 0.10 0.01 -0.05 0.05 -0.08 -0.03 -0.00 -0.04 0.05 0.05 -0.02 -0.04 -0.01 -0.03 0.01 -0.02 0.14 -0.00 0.05 0.25 -0.04 -0.05 0.02 0.02 -0.00 0.00 -0.04 0.04 0.02 -0.00 -0.01 0.09 -0.04 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 0.06 0.03 0.03 -0.05 -0.03 -0.02 0.01 -0.02 0.02 0.04 0.05 -0.03 -0.04 -0.09 0.07 -0.02 0.01 -0.01 -0.01 -0.03 -0.01 0.02 0.04 -0.04 0.01 0.03 -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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.21 0.03 -0.02 0.13 -0.19 -0.12 -0.14 0.31 0.08 0.13 -0.19 0.01 -0.21 0.29 0.01 -0.24 0.28 -0.13 0.08 -0.19 0.10 -0.13 -0.11 -0.04 0.13 0.08 0.03 -0.28 -0.15 -0.08 0.07 0.01 -0.00 -0.06 0.03 0.07 -0.08 0.01 0.05 0.17 0.04 0.13 -0.01 -0.10 0.09 -0.15 -0.06 -0.00 -0.02 -0.05 0.09 -0.09 0.02 0.07 0.05 -0.09 -0.04 -0.09 -0.00 -0.01 -0.13 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.01 0.02 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 0.00 -0.04 -0.06 0.09 0.22 0.05 -0.13 -0.07 -0.01 0.03 0.02 -0.02 0.01 -0.10 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.00 0.02 0.01 -0.03 0.01 0.02 -0.04 -0.00 0.02 -0.03 -0.00 0.04 -0.04 0.01 0.03 -0.03 0.00 0.02 -0.02 0.00 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 0.08 0.02 -0.01 -0.01 -0.01 0.01 0.02 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.28 0.03 0.03 -0.50 -0.01 0.15 0.12 0.09 0.03 0.04 -0.30 0.19 0.17 -0.09 -0.06 -0.53 0.18 0.05 0.08 -0.03 0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.05 -0.04 0.02 -0.05 0.02 0.04 -0.05 -0.01 0.03 -0.05 -0.02 0.01 -0.02 0.03 -0.02 -0.04 0.00 0.02 -0.03 0.02 -0.00 -0.00 0.00 0.01 0.02 -0.03 -0.03 0.01 0.01 -0.02 -0.00 0.01 0.03 0.01 -0.02 -0.01 -0.00 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.13 0.01 -0.14 -0.14 0.29 -0.01 -0.07 0.12 0.00 -0.18 0.26 -0.00 -0.21 0.31 -0.01 -0.15 0.20 -0.02 -0.24 0.31 -0.02 -0.08 0.26 0.14 0.08 0.02 -0.00 0.27 0.19 0.13 0.00 0.03 -0.08 -0.11 -0.02 0.06 0.01 0.09 -0.04 -0.02 -0.03 -0.03 -0.02 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.04 0.06 -0.06 0.05 0.07 0.07 -0.09 -0.04 0.21 -0.01 -0.03 0.12 -0.02 -0.00 0.02 0.01 0.01 -0.00 -0.04 0.03 0.03 -0.01 -0.01 -0.02 -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 -0.01 -0.02 -0.03 -0.00 0.02 -0.02 -0.02 0.02 0.01 -0.02 0.03 0.01 -0.01 0.02 -0.01 -0.08 -0.05 0.00 0.02 -0.01 0.04 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.01 0.03 0.02 -0.04 0.01 -0.01 0.02 0.01 -0.02 -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 0.40 0.04 -0.12 0.03 -0.08 0.00 -0.04 0.07 -0.03 0.08 -0.10 0.00 0.11 -0.17 0.02 0.09 -0.11 0.01 0.14 -0.18 0.01 0.07 -0.18 -0.07 0.54 0.24 0.13 0.16 0.14 0.09 -0.03 0.02 -0.07 -0.10 -0.07 0.02 0.08 0.05 -0.07 0.01 0.02 0.02 0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.02 -0.04 0.04 -0.03 -0.04 -0.04 0.05 0.02 0.37 -0.05 -0.07 0.05 0.02 -0.00 0.02 0.01 0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.03 0.06 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 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.57 0.31 -0.11 0.58 -0.32 0.11 -0.06 0.11 -0.19 0.03 -0.18 0.14 -0.03 -0.08 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 0.02 0.00 -0.07 -0.06 -0.01 0.04 0.01 0.01 -0.01 0.02 -0.05 0.01 0.03 -0.01 0.01 -0.02 0.01 -0.01 -0.02 0.03 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.31 0.12 0.00 0.16 -0.34 0.06 -0.21 0.35 -0.07 0.02 0.07 -0.16 -0.03 0.06 0.19 0.21 -0.31 -0.07 -0.24 0.30 0.05 0.18 0.12 0.22 -0.05 -0.01 0.00 -0.11 -0.09 -0.08 0.03 0.01 -0.04 -0.07 -0.00 0.05 -0.01 0.03 -0.00 -0.09 -0.02 -0.06 0.02 0.07 -0.04 0.09 0.02 -0.01 -0.01 0.05 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.12 0.01 0.02 -0.06 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.02 -0.01 0.06 0.01 -0.02 0.04 -0.03 -0.01 -0.06 0.02 0.04 -0.08 0.01 -0.02 0.02 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.00 0.01 0.03 -0.03 0.02 -0.01 0.01 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.09 0.14 0.16 0.13 -0.27 0.07 0.08 -0.16 -0.02 -0.04 0.04 -0.02 0.23 -0.33 -0.01 -0.17 0.21 0.08 -0.09 0.15 -0.06 -0.32 0.51 0.06 0.16 0.08 0.07 -0.05 -0.05 -0.05 -0.02 0.01 -0.00 0.03 -0.05 -0.06 0.07 -0.04 -0.03 0.03 -0.07 -0.03 -0.00 -0.03 0.05 -0.02 -0.04 -0.06 -0.05 -0.02 0.11 -0.08 0.06 0.10 0.07 -0.05 -0.02 0.03 -0.02 0.00 -0.14 0.04 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.06 -0.01 -0.01 -0.04 0.01 0.00 -0.00 -0.02 -0.01 0.02 0.02 0.02 -0.00 -0.01 -0.03 0.02 -0.01 0.03 -0.02 0.02 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.03 0.03 -0.07 0.05 -0.04 0.03 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.35 -0.07 0.09 0.03 -0.03 -0.04 0.07 -0.11 0.07 0.17 -0.24 -0.03 -0.16 0.24 0.01 0.10 -0.15 -0.06 -0.09 0.11 0.06 0.07 0.14 0.15 0.05 0.03 -0.06 -0.16 -0.09 0.01 -0.03 -0.05 0.09 0.04 0.02 -0.03 -0.03 -0.08 0.05 -0.02 -0.02 -0.01 0.05 0.03 0.01 0.05 0.03 0.00 -0.02 0.03 0.02 -0.02 0.00 0.02 -0.01 0.00 -0.02 0.64 -0.10 -0.05 -0.17 0.07 -0.03 0.04 0.02 -0.00 -0.02 0.01 0.00 0.03 -0.01 -0.01 0.03 -0.01 -0.00 0.02 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.05 0.04 0.05 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.03 -0.02 0.01 0.03 0.04 0.07 0.00 0.01 0.00 -0.02 -0.01 0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.03 0.02 -0.05 0.04 -0.03 0.02 0.01 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.12 -0.13 0.07 -0.13 0.05 -0.17 0.30 -0.09 -0.24 0.34 0.00 0.22 -0.31 0.04 -0.10 0.15 0.06 0.04 -0.05 -0.07 -0.06 -0.18 -0.17 -0.21 -0.11 -0.08 -0.21 -0.09 -0.01 0.04 0.01 -0.01 -0.01 0.04 0.05 -0.06 0.03 0.02 0.00 0.02 -0.01 -0.07 -0.03 -0.03 -0.06 -0.05 -0.01 0.03 -0.04 -0.03 0.03 -0.01 -0.03 0.01 -0.01 0.02 0.42 -0.06 -0.02 -0.14 0.05 -0.03 0.03 0.02 0.00 -0.01 0.00 0.00 0.02 -0.01 -0.01 0.03 -0.01 -0.00 0.02 -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 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.04 0.06 0.04 -0.01 0.01 -0.03 -0.03 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.05 -0.03 0.02 -0.03 0.02 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.01 0.02 -0.01 -0.05 0.07 -0.06 -0.05 -0.04 0.07 0.02 0.05 -0.06 -0.01 -0.01 0.01 0.01 -0.03 0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.17 -0.33 -0.26 0.10 -0.18 -0.03 -0.05 0.10 -0.02 0.07 -0.10 -0.01 0.12 -0.18 0.02 -0.01 -0.01 -0.00 0.06 -0.06 -0.00 -0.01 0.26 0.18 0.03 0.02 -0.09 -0.11 -0.01 0.06 0.03 -0.01 0.04 0.00 0.06 0.04 -0.06 0.00 0.03 0.02 -0.04 0.00 0.06 0.02 0.04 0.05 0.02 -0.02 -0.04 0.02 0.06 -0.06 0.01 0.05 0.00 -0.01 -0.03 -0.06 0.06 -0.06 0.63 -0.14 -0.03 0.00 -0.01 0.06 0.02 -0.08 0.06 0.02 -0.05 0.01 0.15 -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 -0.05 0.04 0.03 0.02 -0.03 -0.02 0.01 0.04 0.01 -0.00 0.02 0.01 -0.06 -0.06 -0.09 0.01 -0.00 -0.01 0.01 -0.02 0.00 -0.03 -0.01 0.03 0.04 0.02 0.00 0.02 -0.04 0.03 0.03 0.02 -0.03 -0.01 -0.03 0.03 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.14 -0.11 -0.19 -0.07 0.14 -0.02 -0.01 0.01 -0.03 0.01 -0.04 0.05 0.08 -0.13 -0.04 -0.12 0.12 -0.04 0.25 -0.31 0.01 0.27 0.23 0.47 -0.17 -0.10 -0.00 0.13 0.08 0.03 0.04 0.03 -0.05 0.01 0.03 0.04 -0.01 0.08 -0.03 0.02 -0.03 0.05 0.16 0.08 0.05 0.14 0.09 0.01 -0.06 0.07 0.08 -0.11 -0.03 0.06 -0.06 0.03 -0.08 0.04 -0.03 0.04 -0.30 0.07 0.01 -0.00 0.01 -0.04 -0.01 0.04 -0.03 -0.01 0.03 -0.01 -0.08 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 0.05 -0.06 -0.05 -0.00 0.02 0.04 0.02 -0.02 -0.01 0.04 -0.03 -0.01 -0.09 0.03 -0.04 -0.01 0.01 0.00 -0.01 0.03 0.00 0.01 -0.02 0.02 0.02 -0.01 0.01 -0.01 0.02 -0.02 -0.02 -0.01 0.02 0.01 0.01 -0.02 -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 -0.18 0.23 0.33 0.04 -0.08 0.05 -0.03 0.05 0.02 -0.22 0.30 0.00 0.02 -0.01 -0.02 -0.27 0.33 -0.04 0.08 -0.10 0.00 0.39 -0.21 0.28 0.17 0.09 0.04 -0.12 -0.07 -0.03 -0.05 -0.03 0.05 -0.01 -0.05 -0.07 0.02 -0.09 0.04 -0.07 0.05 -0.01 0.02 0.07 -0.05 0.04 0.01 0.02 0.00 0.05 -0.02 -0.04 -0.06 -0.01 -0.09 0.03 -0.06 -0.02 0.02 -0.03 0.16 -0.04 -0.01 0.00 -0.01 0.02 0.01 -0.03 0.02 0.01 -0.02 0.00 0.04 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.12 -0.06 0.01 0.02 -0.01 -0.00 0.02 0.01 0.01 -0.01 0.02 0.00 0.00 -0.02 -0.01 0.09 0.05 0.01 0.02 -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.05 -0.00 0.02 0.02 0.04 -0.04 -0.01 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.47 0.26 0.11 -0.16 0.27 0.02 0.11 -0.21 -0.01 0.04 -0.06 0.03 -0.05 0.06 -0.05 0.03 -0.03 0.00 0.06 -0.08 -0.00 -0.01 0.06 0.03 -0.11 -0.00 -0.12 -0.46 -0.31 -0.16 0.02 0.05 -0.10 0.00 -0.06 -0.03 0.07 0.03 -0.06 0.03 -0.01 0.03 0.04 0.00 0.02 0.03 0.03 0.01 -0.01 0.01 0.02 -0.01 0.00 0.01 0.00 0.01 0.00 0.12 -0.01 -0.04 0.17 -0.05 -0.03 0.01 -0.02 0.08 0.02 -0.05 0.06 0.01 -0.08 0.02 0.13 -0.06 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 0.03 -0.01 -0.05 0.05 -0.08 0.03 0.00 -0.01 0.01 -0.07 0.06 -0.00 0.04 -0.05 -0.01 -0.01 0.00 -0.00 0.03 0.02 -0.02 -0.03 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.21 0.25 0.30 -0.12 0.21 0.04 -0.21 0.41 0.01 -0.08 0.15 -0.01 0.02 -0.05 -0.00 0.22 -0.26 0.06 0.18 -0.24 -0.02 -0.18 0.24 -0.03 0.06 0.03 0.02 -0.00 -0.01 -0.01 -0.15 -0.12 0.06 -0.17 -0.02 0.00 -0.11 -0.06 0.16 0.11 -0.06 0.08 0.08 -0.01 0.06 0.08 0.06 -0.03 -0.03 -0.01 0.06 -0.02 0.02 0.03 0.04 0.00 0.02 -0.02 0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.02 -0.01 -0.02 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 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 -0.01 0.00 0.00 0.00 -0.03 0.04 0.01 -0.04 0.06 0.03 -0.00 -0.01 0.00 0.01 -0.01 -0.05 0.04 -0.02 -0.00 0.03 -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.04 -0.07 -0.06 -0.03 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.02 0.22 -0.04 -0.04 -0.02 0.10 -0.38 -0.12 0.14 -0.27 0.05 0.39 -0.16 -0.33 0.12 0.02 0.28 -0.19 0.05 0.29 -0.14 0.08 0.11 -0.04 0.16 0.05 -0.18 0.05 0.04 -0.15 0.18 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.00 -0.05 0.06 0.01 0.00 -0.01 -0.04 0.02 -0.01 0.05 -0.04 0.02 0.01 -0.05 0.06 0.01 0.01 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 0.01 -0.02 -0.04 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.08 -0.02 -0.01 -0.02 0.08 -0.35 -0.11 0.10 -0.25 0.07 0.36 -0.16 -0.11 0.04 -0.00 -0.29 0.22 -0.06 -0.31 0.15 -0.11 -0.19 0.08 -0.22 -0.11 0.27 -0.07 -0.04 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.02 -0.03 -0.01 0.00 0.04 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.04 -0.05 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.02 -0.01 0.02 -0.02 -0.01 0.02 -0.03 0.01 -0.03 0.06 0.02 -0.10 0.11 -0.00 -0.01 -0.11 -0.09 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 0.16 0.14 0.31 0.32 0.06 0.06 0.17 0.24 0.13 -0.31 0.22 0.17 -0.06 0.20 0.37 -0.04 0.42 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 0.03 0.00 -0.01 -0.01 0.02 0.01 0.03 -0.06 0.00 -0.04 0.04 -0.01 0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.10 -0.03 0.05 -0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.01 0.01 0.08 -0.10 -0.02 -0.02 -0.00 -0.02 -0.19 0.27 0.00 -0.08 0.13 0.02 0.12 -0.13 0.03 0.11 -0.15 -0.01 -0.06 0.07 -0.02 0.01 -0.01 0.04 -0.03 0.02 0.03 0.34 0.29 -0.12 0.47 0.01 -0.09 0.29 0.03 -0.38 0.11 -0.01 0.12 0.11 0.02 0.03 0.10 0.08 -0.01 0.02 -0.03 0.01 0.01 -0.01 -0.03 0.02 -0.03 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 -0.01 -0.00 0.01 -0.02 0.04 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.04 0.01 -0.02 -0.08 -0.04 -0.05 -0.04 0.05 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 0.06 -0.06 -0.07 0.06 -0.13 0.02 0.08 -0.15 0.00 -0.08 0.11 -0.01 -0.02 0.04 0.00 -0.01 0.05 0.04 -0.05 0.03 0.02 -0.01 -0.01 -0.02 0.00 -0.01 0.02 -0.00 0.01 0.01 -0.12 -0.11 0.06 -0.18 -0.00 0.04 -0.09 -0.02 0.14 0.23 0.08 0.36 0.37 0.09 0.08 0.25 0.28 0.08 0.23 -0.17 -0.14 0.09 -0.11 -0.28 0.06 -0.32 -0.10 -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 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.03 -0.04 0.09 -0.00 0.07 -0.09 -0.00 -0.05 0.05 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.01 0.05 0.01 -0.03 0.02 0.02 0.02 0.02 -0.03 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 -0.13 -0.15 0.13 -0.26 0.02 0.16 -0.31 -0.00 -0.28 0.37 0.03 -0.12 0.21 0.02 0.10 -0.14 -0.00 0.17 -0.20 -0.03 -0.03 0.05 0.01 -0.00 -0.04 0.06 -0.03 0.04 0.03 -0.14 -0.14 0.08 -0.23 0.01 0.05 -0.11 -0.03 0.17 -0.03 -0.07 -0.10 -0.13 -0.02 -0.03 -0.05 -0.10 -0.08 -0.14 0.08 0.10 -0.06 0.06 0.16 -0.02 0.19 0.07 -0.00 -0.00 0.01 -0.03 0.01 0.00 -0.01 0.00 -0.03 -0.01 -0.00 -0.01 -0.00 0.03 -0.01 0.05 -0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.06 -0.06 0.00 -0.04 0.05 -0.03 -0.01 0.02 -0.00 -0.00 0.00 0.05 -0.05 0.04 -0.07 0.07 -0.06 -0.01 0.01 0.01 -0.01 0.03 -0.00 -0.02 0.03 -0.00 0.02 -0.03 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.03 0.04 0.02 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.01 0.01 -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 -0.01 0.00 -0.01 -0.00 -0.05 0.00 0.01 -0.19 0.02 0.04 -0.10 -0.01 -0.20 -0.03 -0.04 -0.09 -0.01 0.23 -0.06 0.34 -0.14 -0.01 -0.27 0.16 -0.03 -0.27 0.12 -0.05 0.33 -0.15 0.12 0.30 -0.23 0.06 0.00 -0.26 0.35 -0.03 0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.10 -0.09 0.02 -0.04 0.05 -0.04 -0.02 0.04 0.05 -0.03 0.01 -0.05 0.05 -0.04 0.05 -0.04 0.03 -0.01 0.01 0.01 -0.01 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.02 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.07 0.03 0.07 0.04 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.00 0.02 -0.28 0.03 0.05 -0.20 -0.07 -0.24 0.00 -0.10 -0.02 -0.11 0.27 -0.02 0.50 -0.21 -0.01 0.25 -0.19 0.04 0.27 -0.12 0.09 -0.20 0.10 -0.02 -0.20 0.10 -0.02 0.01 0.14 -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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.04 -0.05 0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -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 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.06 -0.01 0.05 0.04 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.01 0.02 -0.02 0.00 0.00 0.20 0.03 0.34 -0.17 -0.01 -0.55 0.61 -0.16 -0.26 0.16 -0.05 -0.02 0.01 -0.04 0.01 0.02 -0.01 0.03 -0.01 0.01 0.02 -0.02 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.01 -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.00 -0.02 0.04 -0.45 0.22 0.02 0.47 -0.15 0.03 0.21 0.53 0.40 -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 0.03 0.01 -0.01 -0.06 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.08 -0.06 0.11 0.08 0.04 0.12 0.17 0.11 -0.19 -0.11 -0.08 -0.24 0.23 0.19 0.41 -0.29 -0.18 0.37 0.02 -0.02 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.02 0.01 -0.03 0.03 -0.01 -0.01 -0.02 0.03 0.00 0.16 -0.27 -0.04 -0.17 -0.12 0.05 0.18 0.07 -0.09 0.06 0.08 -0.14 -0.06 0.03 0.12 -0.16 0.02 -0.14 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 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 -0.03 -0.00 -0.00 0.02 -0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 0.02 -0.01 0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.14 -0.08 0.19 0.13 0.08 0.20 0.12 0.09 -0.14 -0.09 -0.06 -0.18 0.09 0.06 0.15 -0.08 -0.09 0.14 0.00 0.02 0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.05 0.01 -0.07 0.06 -0.01 -0.02 -0.04 0.06 0.00 -0.18 0.36 0.10 0.15 0.29 -0.23 -0.17 -0.20 -0.07 -0.07 -0.23 0.29 -0.04 -0.13 -0.17 0.20 0.08 0.23 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.06 0.00 -0.01 0.01 -0.00 -0.00 0.04 -0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 -0.29 -0.17 0.39 0.27 0.17 0.41 0.03 0.08 -0.07 -0.04 -0.02 -0.08 -0.15 -0.10 -0.24 0.16 0.12 -0.22 -0.01 0.00 -0.00 0.00 0.02 -0.03 0.02 -0.03 -0.02 -0.16 0.01 -0.18 0.16 -0.02 -0.05 -0.12 0.19 0.01 0.01 -0.08 -0.06 0.01 -0.13 0.13 -0.01 0.09 0.11 -0.00 0.13 -0.12 0.10 0.10 0.05 -0.02 -0.08 -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 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.02 -0.03 0.03 0.02 0.02 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -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 0.03 0.03 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.10 0.30 -0.10 -0.02 0.00 -0.33 -0.14 0.09 0.57 -0.35 -0.45 0.15 -0.02 0.17 -0.22 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.04 -0.00 -0.07 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.02 -0.01 0.00 0.01 -0.00 0.02 0.01 0.08 -0.02 -0.05 -0.03 -0.02 -0.06 0.01 0.00 0.01 -0.02 0.00 0.02 0.00 0.02 0.01 -0.03 -0.27 0.54 -0.35 0.41 0.34 0.04 0.08 -0.08 -0.05 -0.14 -0.13 0.00 -0.13 0.09 -0.07 0.06 -0.04 0.06 -0.02 0.05 -0.08 0.00 0.09 -0.02 0.08 -0.04 0.09 0.07 0.01 0.03 -0.06 -0.00 -0.01 0.02 0.02 0.07 0.00 -0.01 0.11 0.07 -0.05 -0.01 0.13 0.09 -0.06 -0.03 0.04 -0.03 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.05 0.03 0.04 -0.01 0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 0.00 0.02 -0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.03 -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 0.00 0.00 0.00 -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 0.03 0.01 -0.03 -0.02 -0.02 -0.04 0.02 0.09 -0.06 -0.04 -0.03 -0.09 0.06 0.05 0.11 -0.04 -0.10 0.10 0.01 0.06 0.07 0.00 0.06 -0.13 0.08 -0.09 -0.08 0.10 -0.01 0.12 -0.09 0.03 0.05 0.08 -0.10 -0.03 -0.19 0.16 -0.10 0.17 -0.05 0.13 -0.23 0.00 0.24 -0.16 0.36 -0.13 0.44 0.31 0.00 0.19 -0.29 0.04 0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.06 -0.03 0.02 0.01 -0.06 -0.03 0.02 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.02 -0.04 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 -0.00 -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 -0.04 0.02 0.07 0.13 0.05 -0.16 -0.10 -0.08 -0.17 -0.06 -0.04 0.06 0.04 0.03 0.08 0.05 0.04 0.09 -0.06 -0.05 0.09 0.00 0.01 0.02 0.03 -0.01 0.07 -0.06 0.02 0.02 -0.41 -0.13 -0.21 0.36 0.18 0.10 -0.27 0.55 -0.06 -0.03 0.04 -0.01 0.02 0.01 -0.00 -0.04 -0.02 0.02 -0.04 0.08 -0.02 0.10 0.07 -0.01 0.05 -0.06 0.02 -0.01 0.00 0.00 0.02 -0.00 0.00 0.09 0.06 -0.03 -0.02 0.10 0.04 -0.02 -0.03 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 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 0.01 -0.01 0.01 0.01 0.00 -0.04 -0.03 -0.06 0.01 -0.03 0.01 0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 0.03 0.02 0.01 0.03 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.06 -0.12 0.10 -0.08 -0.07 0.08 -0.01 0.11 -0.06 0.04 0.05 0.07 -0.07 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.06 0.00 0.00 -0.05 0.00 0.02 0.55 0.33 -0.14 -0.13 0.59 0.18 -0.07 -0.17 0.10 0.14 -0.04 0.00 -0.00 -0.02 0.01 0.01 -0.00 0.02 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.04 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 0.02 -0.03 -0.00 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.01 -0.00 -0.05 0.03 0.02 0.01 0.03 -0.04 0.03 -0.02 0.01 0.00 -0.00 0.06 -0.06 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 -0.07 -0.01 -0.08 -0.07 -0.02 -0.04 0.05 0.23 -0.31 0.02 -0.26 -0.08 -0.03 0.29 0.07 -0.19 -0.24 0.01 0.28 0.32 0.06 -0.25 0.41 -0.10 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.03 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.02 -0.01 -0.02 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 0.07 0.04 -0.08 0.00 0.08 0.06 0.02 0.08 0.07 0.02 -0.06 -0.02 -0.04 -0.08 -0.04 -0.01 -0.05 0.03 0.04 -0.04 0.01 -0.01 -0.00 0.01 -0.06 0.17 -0.11 0.11 0.09 0.09 -0.24 0.48 -0.03 0.46 0.43 0.16 0.15 -0.31 0.04 -0.07 -0.00 -0.04 -0.03 0.01 0.05 0.03 -0.02 -0.02 -0.04 0.06 0.01 -0.03 -0.05 0.05 0.01 0.06 0.01 0.01 0.00 0.02 -0.00 -0.00 -0.04 -0.02 0.01 0.01 -0.04 -0.01 0.00 0.01 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.04 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 -0.01 -0.00 0.06 0.01 -0.06 -0.05 -0.03 -0.07 0.06 0.10 -0.10 -0.06 -0.04 -0.12 0.02 -0.01 0.02 -0.02 0.01 0.01 0.07 -0.01 0.01 0.00 0.02 -0.03 0.02 -0.03 -0.02 -0.03 0.01 -0.04 0.02 -0.02 -0.02 -0.03 0.02 0.02 -0.11 -0.13 -0.25 0.10 -0.35 0.40 -0.14 0.23 0.42 0.00 -0.28 0.24 -0.16 -0.21 -0.15 0.07 0.16 0.16 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 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 -0.01 0.01 -0.01 -0.03 0.01 0.01 -0.07 0.00 0.01 -0.03 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.17 -0.07 0.21 0.14 0.09 0.22 -0.33 -0.25 0.37 0.23 0.16 0.48 0.13 0.09 0.22 -0.15 -0.11 0.20 0.03 0.01 0.02 -0.00 -0.02 0.03 -0.02 0.03 0.02 0.04 -0.00 0.05 -0.03 0.02 0.03 0.04 -0.03 -0.03 -0.06 0.00 -0.08 0.05 -0.08 0.10 -0.07 0.04 0.13 -0.01 -0.04 0.05 -0.02 -0.03 -0.03 0.02 0.02 0.03 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 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 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.01 0.04 0.03 -0.06 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 -0.01 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 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.02 0.01 0.00 -0.02 0.01 -0.00 -0.42 -0.45 0.15 -0.19 0.13 0.59 -0.06 0.04 0.28 -0.17 -0.22 0.08 -0.01 0.09 -0.12 -0.01 0.02 -0.02 0.08 0.08 -0.16 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.07 -0.02 0.00 -0.31 0.23 -0.10 0.02 -0.05 0.03 0.37 -0.19 0.03 -0.21 -0.11 0.26 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -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 -0.01 -0.02 0.04 -0.02 0.02 0.02 -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 0.03 -0.00 -0.01 -0.28 0.05 0.05 0.19 -0.02 0.23 -0.13 0.29 -0.23 0.14 -0.13 -0.02 -0.34 0.02 0.08 0.01 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.02 0.02 0.03 0.00 -0.02 0.10 0.13 -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 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.24 0.07 -0.02 0.19 -0.06 0.02 0.18 -0.16 0.09 -0.01 0.02 -0.02 -0.21 0.17 -0.08 -0.16 -0.21 0.35 -0.03 0.00 0.02 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 0.00 0.02 -0.14 0.01 0.03 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.31 0.03 -0.11 -0.12 -0.03 0.08 -0.02 0.05 -0.16 0.02 -0.02 0.07 -0.07 0.09 -0.01 0.46 -0.05 -0.15 0.11 0.02 0.01 0.07 -0.06 -0.05 0.00 0.00 -0.02 0.01 0.02 -0.01 0.01 -0.04 0.05 -0.02 0.00 0.01 -0.05 -0.06 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.37 0.12 -0.04 0.39 -0.14 0.04 -0.11 0.07 -0.03 0.02 -0.01 0.01 0.00 -0.04 0.04 0.12 0.09 -0.18 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 0.03 0.00 -0.19 -0.00 0.04 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.45 0.07 -0.18 -0.46 -0.03 0.19 -0.03 -0.06 0.06 -0.01 0.02 -0.07 0.01 -0.02 0.02 -0.10 -0.01 0.05 -0.04 -0.00 -0.01 -0.03 0.03 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.02 0.05 0.03 0.02 -0.03 -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 -0.01 0.01 -0.01 0.04 0.02 0.03 -0.05 -0.02 0.04 0.00 0.00 0.00 -0.03 -0.02 0.02 0.46 0.36 -0.38 -0.19 -0.15 -0.18 -0.41 -0.28 0.39 0.00 -0.00 -0.00 0.00 -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 0.02 -0.03 -0.03 -0.03 0.04 -0.03 0.05 0.03 0.04 -0.04 0.05 -0.04 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.05 -0.04 -0.03 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.03 0.04 0.02 0.04 -0.04 -0.02 0.03 0.02 0.01 0.02 -0.04 -0.03 0.02 0.31 0.24 -0.25 -0.29 -0.23 -0.29 0.47 0.32 -0.45 0.00 -0.00 -0.00 0.00 -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 0.07 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.07 -0.05 0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.05 0.05 -0.00 -0.00 -0.04 -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 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.21 0.56 -0.56 0.28 0.15 0.24 -0.27 -0.14 0.20 -0.03 -0.02 -0.03 0.04 0.03 -0.03 -0.05 -0.04 0.04 0.03 0.03 0.03 -0.01 -0.01 0.01 0.04 -0.07 -0.03 0.01 -0.04 0.06 0.02 -0.04 -0.02 0.02 -0.05 0.05 0.02 0.02 0.03 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 0.00 -0.02 0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.04 0.05 0.03 0.04 -0.04 -0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 -0.03 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 0.03 0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.17 -0.13 0.17 0.07 -0.11 -0.11 -0.10 0.15 -0.11 -0.35 -0.21 -0.24 0.23 -0.33 0.26 0.40 0.26 -0.40 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.02 -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.03 -0.03 0.01 -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 0.11 -0.28 0.28 0.38 0.21 0.33 -0.31 -0.16 0.23 -0.03 -0.02 -0.04 0.02 0.02 -0.01 -0.03 -0.02 0.03 0.02 0.02 0.02 0.01 0.00 -0.01 -0.23 0.43 0.17 0.03 -0.11 0.14 -0.04 0.09 0.05 0.01 -0.03 0.03 -0.08 -0.05 -0.08 0.05 0.04 -0.05 -0.02 0.03 0.03 0.03 -0.05 0.03 0.02 0.01 0.02 -0.02 0.02 -0.02 -0.03 -0.02 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 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 0.02 -0.03 -0.04 -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.15 -0.15 -0.14 -0.08 -0.12 0.16 0.08 -0.12 0.01 0.01 0.00 -0.08 -0.06 0.05 0.03 0.02 -0.02 0.03 0.02 0.03 0.00 0.00 -0.00 -0.28 0.53 0.20 0.06 -0.22 0.27 0.14 -0.27 -0.15 -0.07 0.19 -0.20 0.22 0.14 0.22 -0.03 -0.02 0.03 0.01 -0.01 -0.01 -0.02 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.02 -0.01 -0.01 0.01 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 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.03 0.02 -0.02 -0.01 -0.01 -0.01 -0.05 -0.04 0.04 0.10 0.08 -0.08 0.03 0.02 0.03 0.04 0.03 -0.04 0.02 -0.03 -0.01 -0.00 0.01 -0.01 0.02 -0.04 -0.02 -0.01 0.03 -0.03 0.03 0.02 0.03 0.41 0.30 -0.39 -0.15 0.25 0.25 0.24 -0.35 0.25 -0.15 -0.09 -0.11 0.10 -0.14 0.11 0.16 0.10 -0.16 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.03 -0.02 0.03 0.03 0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.08 -0.08 -0.21 -0.12 -0.19 0.01 0.00 0.00 -0.06 -0.04 -0.06 0.49 0.33 -0.31 -0.11 -0.09 0.10 -0.26 -0.20 -0.28 -0.04 -0.03 0.04 -0.11 0.20 0.08 0.02 -0.08 0.10 -0.07 0.14 0.07 0.05 -0.16 0.16 -0.11 -0.07 -0.11 0.06 0.04 -0.06 -0.02 0.03 0.03 0.03 -0.04 0.03 -0.01 -0.01 -0.01 0.02 -0.02 0.02 0.04 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 -0.01 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.03 -0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.02 0.03 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.15 -0.14 -0.10 -0.06 -0.08 0.17 0.09 -0.13 0.01 0.01 0.01 -0.20 -0.13 0.13 0.14 0.11 -0.12 0.21 0.16 0.22 0.04 0.03 -0.04 -0.11 0.21 0.08 0.03 -0.10 0.12 -0.18 0.34 0.18 0.10 -0.29 0.30 -0.28 -0.17 -0.27 -0.02 -0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -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 0.03 0.02 -0.00 -0.02 -0.01 0.03 -0.05 -0.04 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.05 0.05 -0.16 -0.09 -0.15 -0.22 -0.11 0.18 -0.12 -0.08 -0.13 0.37 0.24 -0.23 0.26 0.20 -0.22 0.36 0.28 0.38 0.09 0.06 -0.09 0.02 -0.04 -0.01 -0.00 0.02 -0.02 0.04 -0.07 -0.04 -0.01 0.04 -0.04 0.06 0.04 0.06 -0.05 -0.04 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.04 -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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.05 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 0.01 -0.01 0.00 -0.01 0.01 0.22 -0.39 -0.14 -0.26 -0.06 0.05 0.38 0.29 0.68 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.05 -0.00 0.00 0.02 0.05 0.05 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.03 0.01 0.02 0.01 -0.00 -0.03 -0.03 -0.06 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.01 -0.02 -0.00 -0.29 -0.51 -0.01 0.00 0.22 0.55 0.52 -0.08 -0.16 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.04 0.00 -0.01 -0.01 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.37 0.21 0.34 0.50 0.25 -0.40 -0.16 -0.11 -0.18 0.27 0.18 -0.16 0.07 0.05 -0.06 0.06 0.04 0.06 0.01 0.01 -0.01 0.02 -0.05 -0.02 0.00 -0.02 0.02 0.02 -0.03 -0.02 -0.00 0.01 -0.01 0.02 0.01 0.02 -0.02 -0.02 0.02 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.03 -0.05 -0.01 -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 0.03 0.26 0.65 -0.33 -0.62 -0.02 0.03 0.06 0.00 -0.00 -0.03 -0.06 0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.07 -0.05 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 0.03 -0.08 0.08 -0.02 -0.01 -0.02 -0.04 -0.02 0.03 -0.07 -0.04 -0.08 -0.03 -0.02 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.18 -0.34 -0.15 0.13 -0.52 0.69 -0.03 0.06 0.03 -0.02 0.07 -0.07 -0.02 -0.02 -0.02 -0.01 -0.01 0.01 -0.01 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 -0.01 -0.01 0.05 -0.06 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 0.03 -0.03 -0.04 -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.04 0.03 -0.04 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.20 -0.14 0.18 -0.02 0.05 0.04 0.17 -0.24 0.17 0.26 0.15 0.20 -0.25 0.33 -0.26 0.42 0.26 -0.42 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.05 0.06 -0.03 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.02 0.01 -0.01 0.02 0.02 -0.02 0.03 0.02 0.03 0.10 0.07 -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 0.37 0.25 -0.32 0.03 -0.08 -0.05 -0.34 0.47 -0.33 0.21 0.13 0.15 -0.08 0.10 -0.08 0.20 0.13 -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 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.07 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 -0.00 -0.01 -0.00 -0.00 0.00 -0.03 -0.02 -0.03 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.04 0.05 -0.01 0.03 0.02 0.04 -0.06 0.04 0.52 0.33 0.37 0.32 -0.48 0.36 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.08 -0.04 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 0.03 -0.03 0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.01 -0.01 0.03 -0.04 -0.34 0.61 0.34 -0.05 0.13 -0.16 0.39 0.22 0.36 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.05 0.04 -0.07 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.09 0.09 0.02 0.01 0.02 -0.00 -0.00 0.00 0.06 0.04 0.07 -0.02 -0.02 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.02 -0.04 -0.02 0.02 -0.06 0.08 0.07 -0.14 -0.10 0.16 -0.53 0.54 0.37 0.24 0.35 0.01 0.01 -0.01 0.02 -0.04 -0.04 0.02 -0.02 0.02 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.04 0.02 0.02 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.04 -0.05 -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 -0.01 0.01 -0.05 -0.03 -0.04 -0.04 -0.02 0.03 -0.31 -0.21 -0.37 -0.12 -0.08 0.08 -0.03 -0.02 0.03 -0.05 -0.04 -0.05 -0.03 -0.02 0.03 -0.01 0.01 0.01 -0.01 0.05 -0.06 0.02 -0.03 -0.02 0.02 -0.07 0.07 0.03 0.02 0.03 -0.12 -0.10 0.11 -0.26 0.48 0.47 -0.15 0.21 -0.17 -0.03 -0.02 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.00 0.01 -0.01 -0.41 0.70 0.23 0.14 0.02 -0.05 0.24 0.16 0.41 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 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 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.05 -0.04 0.02 0.05 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.02 0.18 0.49 0.24 0.46 -0.00 -0.23 -0.41 -0.00 0.00 -0.17 -0.44 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 -0.05 -0.03 -0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.03 -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 0.06 0.03 0.06 0.04 0.02 -0.03 0.45 0.31 0.54 0.15 0.10 -0.10 0.03 0.02 -0.03 0.05 0.04 0.06 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.05 0.07 -0.01 0.01 0.01 -0.01 0.03 -0.03 -0.01 -0.00 -0.01 -0.09 -0.08 0.08 -0.19 0.35 0.35 -0.08 0.12 -0.10 0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.04 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.00 0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.09 0.03 0.06 0.00 0.17 0.33 0.01 -0.02 -0.14 -0.36 0.78 -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.05 -0.04 -0.02 -0.05 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.16 0.44 0.21 0.42 -0.00 0.26 0.46 -0.00 0.00 0.18 0.49 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 0.01 -0.02 0.02 -0.00 0.05 -0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.02 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 -0.01 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 0.01 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 0.21 -0.24 0.01 -0.63 0.70 -0.01 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 -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 0.00 0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 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 0.02 -0.03 -0.01 0.01 -0.04 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.61 0.71 0.00 -0.21 0.24 0.01 -0.02 -0.01 -0.05 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.09 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.00 -0.01 0.01 0.11 -0.21 -0.07 0.90 0.21 -0.22 0.05 0.05 0.13 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 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 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.01 0.01 -0.00 -0.04 0.04 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.64 0.75 0.00 0.00 0.00 -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 0.99991 -0.0132 0.00262 0.0132 0.99991 -0.00162 -0.0026 0.00166 1.0 asymmetric 1 0.02064 0.00848 0.00653 0.43012 0.17668 0.13603 1150226.0 22.07 27.53 36.24 56.22 72.65 93.50 111.15 126.49 134.86 145.46 162.95 182.02 221.24 245.57 278.45 298.19 339.98 359.72 364.02 377.56 391.69 405.43 426.90 439.49 452.63 488.39 555.64 583.62 594.50 632.89 641.93 657.13 672.35 797.03 829.35 906.13 1067.03 1075.19 1110.41 1138.01 1181.35 1195.84 1200.54 1219.70 1249.68 1281.30 1291.18 1339.29 1347.32 1359.36 1372.77 1390.22 1409.76 1423.62 1432.02 1439.55 1478.27 1497.67 1510.39 1516.21 1521.11 1525.31 1602.00 1623.11 1642.81 1647.66 1667.14 1683.87 1692.94 1705.75 1734.69 1776.80 1813.19 1837.75 1856.72 1870.24 1873.94 1911.59 1915.10 1929.86 1938.67 1951.84 1961.25 1974.80 1989.92 1994.03 2003.75 2006.50 2016.36 2025.88 2029.71 2036.41 2048.27 2101.09 2112.13 2113.55 2118.34 2122.66 2125.73 2126.10 2130.48 2133.32 2135.42 2136.15 2138.70 2147.10 2155.79 2161.57 2322.11 2374.75 2422.41 4291.56 4300.94 4307.75 4324.23 4326.94 4331.57 4333.42 4335.94 4341.68 4352.86 4364.98 4365.50 4368.98 4393.58 4402.27 4409.25 4417.21 4423.44 4425.71 4430.88 4436.84 4444.21 4447.05 4450.54 4467.40 4479.63 4509.28 4525.59 4553.96 4573.61 0.438098 0.461676 0.462621 0.382052 -816.177130 -816.153552 -816.152608 -816.233176 289.706 85.817 169.570 0.000 0.000 0.000 0.889 2.981 42.637 0.889 2.981 34.696 287.929 79.856 92.237 1 0.593 1.986 7.161 2 0.593 1.986 6.722 3 0.593 1.985 6.177 4 0.594 1.981 5.305 5 0.595 1.977 4.798 6 0.597 1.971 4.300 7 0.599 1.964 3.960 8 0.601 1.958 3.706 9 0.603 1.954 3.581 10 0.604 1.948 3.433 11 0.607 1.938 3.212 12 0.611 1.927 2.998 13 0.619 1.898 2.625 14 0.626 1.879 2.428 15 0.635 1.849 2.194 16 0.641 1.830 2.068 17 0.655 1.785 1.831 18 0.663 1.763 1.730 19 0.664 1.758 1.710 20 0.670 1.742 1.646 21 0.675 1.724 1.582 22 0.681 1.707 1.523 23 0.690 1.680 1.435 24 0.696 1.663 1.387 25 0.702 1.646 1.338 26 0.719 1.597 1.215 27 0.755 1.500 1.015 28 0.771 1.458 0.942 29 0.777 1.442 0.915 30 0.800 1.383 0.827 31 0.805 1.369 0.807 32 0.815 1.346 0.776 33 0.825 1.323 0.745 34 0.909 1.131 0.536 35 0.933 1.082 0.492 0.601350e+26 25.779127 59.358634 0.412602e+11 10.615532 24.443165 0.100000e+01 0.000000 0.000000 0.170736e+09 8.232326 18.955631 0.853630e+07 6.931270 15.959838 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.1504 0.6007 -1.7184 3.6385 -112.5189 -121.4778 -126.1453 -12.9023 6.6507 0.8099 7.5284 -1.4305 -6.0979 -12.9023 6.6507 0.8099 -102.1262 -19.0726 -4.3027 13.9660 30.5865 -25.3926 6.2977 3.7336 -0.8744 -16.0095 -6881.0034 -3091.0626 -648.6452 -190.1936 131.6384 -41.0829 -47.5032 17.3672 -9.0734 -1784.2638 -1430.1717 -642.1512 69.1142 27.0631 -23.6010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -816.6152282 2.545E-9 1.08E-6 0.4380979 0.4616763 -816.1535518 -816.1526077 -816.2331758 8.0910615,-4.0162221,-4.0748394,8.5702701,4.4085236,-1.1622559 C01 [X(C17H30O2)] -1.2058059 0.4775283 0.6059246 -2.5603632 -0.7534354 -0.3944636 -0.8854887 -0.9535438 -0.4367663 -0.5021275 -0.4491839 -0.8250662 -1.4868131 0.1224433 0.3380297 0.4220474 -0.9901049 -0.6114967 0.7029032 -0.5874596 -1.3404502 0.3195576 -0.0397474 0.0297499 0.0005567 0.2463901 -0.0081528 0.3365857 -0.0155383 0.2019821 0.0696149 -0.0621381 0.0281763 -0.0890143 0.1276229 0.0177868 0.0692434 0.0569433 0.1455236 0.1102711 -0.1429978 0.0034176 -0.1460893 0.073836 0.0119168 -0.0366149 0.0117482 0.0570861 0.1587685 -0.1383237 -0.0121046 -0.1092612 0.1344368 0.0095379 -0.0153444 -0.0168738 0.1817327 0.1889373 -0.047385 -0.0056633 -0.0551321 0.2113667 0.0073587 -0.002476 0.0154931 0.2022433 -0.3538644 0.1025791 0.0330047 0.1050449 0.1119884 0.0607444 -0.2212166 0.0346965 0.1031925 -0.0135451 0.0543849 0.0641955 0.0926446 0.0851932 0.0061671 -0.0840416 0.0085503 0.0916882 0.0588162 0.0036849 -0.0690132 -0.0011298 0.0665709 0.0707783 -0.072392 0.0786754 0.0389982 0.0926487 -0.0724351 0.0205016 -0.0738233 0.0663706 0.0853067 0.0084847 0.0667811 0.0769729 0.908662 -0.0566382 -0.0340994 0.002999 -0.0311683 0.165771 0.0948225 0.2442391 -0.0532251 -1.0761392 0.1102831 0.0942451 0.035869 -0.1135638 0.1654889 -0.1005136 0.1092818 -0.1215432 1.9029166 0.183812 -0.0916718 0.2738103 0.3441381 0.2295203 0.1749054 0.311007 0.2587341 -0.0961086 -0.0631235 -0.0370988 0.0717741 -0.0288982 -0.1564027 -0.0571287 -0.2311944 -0.1054334 -2.4805566 -0.2384184 0.085163 -0.3721951 -0.2677424 0.1273797 0.1135976 0.1153714 -0.2445848 3.9807194 0.5939262 -0.0421437 0.2650503 1.3865306 1.0105961 -0.5200116 0.9571791 1.6673322 1.3855686 0.2207946 0.0353651 0.0985725 0.462605 -0.003573 -0.0889861 -0.0292577 0.43008 -0.0605818 -0.0691021 -0.0363016 -0.0726978 0.0549378 -0.0559631 -0.0358084 -0.0578732 0.0702768 -0.0500715 -0.073209 -0.0562147 -0.1087812 -0.1626907 -0.1411801 -0.0842386 -0.1239708 -0.1120004 -0.0662314 0.0491748 -0.1688772 0.0932237 -0.0388356 0.1377347 -0.1690007 0.0906014 -0.1108698 -0.1282881 0.0889999 0.1501535 0.0766067 -0.055488 -0.0961381 0.1469139 -0.0959993 -0.0207292 -0.0053173 0.0375966 -0.1067287 0.025284 0.0334339 0.0874452 -0.1029782 0.0876032 -0.1170473 -0.088566 0.1033322 0.111757 0.1226858 -0.0990694 -0.1187112 0.100315 -0.0864612 -0.0039425 -0.0894337 0.1065554 0.128381 0.0969341 -0.0960473 -0.1313302 0.1001571 -0.095537 -0.0283747 -0.0610561 0.0616777 -0.1522896 0.0570665 -0.0352169 0.1406123 -0.1248193 0.1218245 -0.1349358 -0.1077519 0.1239344 0.1137147 0.1080701 -0.097212 -0.0923846 0.0998092 -0.1034128 -0.0921269 -0.1354119 -0.1123623 0.073936 -0.0225222 -0.0790723 0.1089341 0.1876035 0.0780828 0.0345522 -0.0059899 -0.0265499 -0.0755772 0.0248629 -0.0341311 -0.1560189 0.0001194 -0.1193984 -0.0877832 -0.060525 -0.0931404 0.1099457 -0.1341439 -0.0653974 0.1120307 0.1325917 0.091643 0.0007043 0.0317262 -0.0634728 -0.0708303 -0.014662 -0.0577545 -0.1507395 -0.0183372 -0.1555342 -0.0487445 -0.1180469 0.1069266 -0.0910162 0.1463615 0.0147673 0.0798184 -0.104019 0.0985918 -0.0679217 -0.0330211 0.1248799 0.0518977 0.1315824 -0.0327727 -0.0713418 0.1065267 -0.1221552 -0.0274465 0.0078538 -0.0688006 0.0987313 -0.0465167 -0.0231857 0.1481738 0.0762571 0.154138 -0.0750059 -0.0588634 -0.104522 -0.1275467 -0.1335229 -0.0641819 -0.109522 -0.1165504 -0.081283 -0.0014622 -0.0549199 0.1083779 -0.1240084 0.0747091 -0.0186861 0.1257683 -0.0890673 0.1324705 -0.054906 -0.0462675 -0.1609833 -0.0575025 -0.1558191 -0.0866039 -0.0658721 -0.0901478 -0.1025508 -0.0113783 -0.0339214 0.0699055 0.1307683 0.1230216 -0.0362184 -0.1183137 0.1257736 -0.0599039 -0.0381799 0.0699777 0.005788 0.0035778 0.0065081 0.0336064 -0.1486398 -0.0258633 -0.1647136 0.0330701 0.0392771 -0.0112471 0.0069 0.000452 0.0256327 -0.1662861 0.0498204 -0.1593218 0.0426663 0.0211912 -0.1080894 0.0604225 -0.143348 -0.0388117 0.0016504 0.0831273 0.0584524 0.0614366 0.0016794 0.099803 0.0332412 0.0580772 0.05487 -0.0497718 0.0116131 -0.0273149 0.1037751 0.0665884 0.0376964 -0.0696081 -0.0039717 0.0198068 0.0425786 -0.108595 0.0093383 -0.0601272 0.0544797 -0.0022295 0.0461149 0.0134019 0.0705123 -0.1524003 0.0088442 -0.1529236 0.0807647 -0.0991591 -0.0371587 -0.0658391 -0.0247049 0.0631212 0.0522759 0.0495583 0.0536948 -0.1489948 -0.1052602 -0.0302131 -0.0132719 0.0708901 -0.1567568 0.0022455 0.0128805 0.032978 0.0801405 0.0638947 0.10394 -0.0239155 0.0489407 -0.1583323 -0.0080635 -0.0529219 0.015736 0.0700012 0.1023343 -0.023079 0.0281537 -0.0372478 0.0450903 0.0726837 -0.0236783 0.0314914 -0.1710206 -0.1594093 -0.0216945 0.0462423 -0.0169752 0.0886584 -0.031236 0.0544248 -0.028751 0.0703467 433.5245417|25.4261518|279.3192632|-0.3880967|17.4370413|273.05958 0.000000338 0.000003716 0.000000365 -0.000001471 0.000002739 0.000002864 0.000000415 -0.000000816 0.000001105 0.000000295 0.000000368 -0.000000149 0.000000500 -0.000000450 0.000001027 0.000000799 0.000001067 0.000002146 -0.000001080 -0.000000637 -0.000000874 -0.000000801 -0.000000525 -0.000000971 -0.000000262 -0.000000739 0.000000986 -0.000000703 0.000002791 0.000000008 -0.000000872 -0.000001164 0.000001052 0.000001738 0.000001470 0.000000440 -0.000000724 0.000000263 -0.000001800 0.000001890 -0.000001692 0.000001044 -0.000000497 0.000001312 0.000000154 -0.000001771 0.000000898 0.000000610 -0.000000213 -0.000005034 -0.000006020 0.000000787 -0.000000015 0.000000342 -0.000000599 -0.000000228 -0.000000943 0.000000724 -0.000000329 0.000000978 -0.000000093 -0.000000017 0.000000417 -0.000000311 -0.000000251 -0.000000237 -0.000000481 0.000000919 -0.000001269 -0.000000156 -0.000000144 0.000000877 0.000000058 -0.000000063 0.000000164 -0.000000498 -0.000000365 -0.000000114 0.000000209 0.000000821 0.000000186 0.000000095 -0.000000601 0.000000686 -0.000000245 -0.000000824 0.000000540 -0.000000040 -0.000000403 0.000000913 0.000000259 -0.000000297 0.000000422 0.000000191 -0.000000471 0.000000570 0.000000627 -0.000001435 0.000000134 0.000000895 -0.000000813 -0.000000676 -0.000000494 0.000000026 0.000000421 -0.000000715 0.000000181 0.000000184 -0.000000151 -0.000000118 0.000000216 -0.000000760 0.000000040 -0.000000206 -0.000000077 -0.000000755 -0.000000067 0.000000546 0.000000017 0.000000030 0.000000120 0.000000414 -0.000000279 0.000000586 0.000000112 -0.000000240 -0.000000055 -0.000000139 -0.000000587 0.000000818 -0.000000797 0.000000016 0.000000387 0.000000721 -0.000000788 0.000000332 0.000000391 -0.000001099 -0.000000003 0.000000298 -0.000000700 0.000000262 0.000000183 -0.000000797 0.000000199 0.000000374 -0.000001079 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9473;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; Gaussian 16 21-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=Water) 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9474;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Hydroprene CONF286 water 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 1464.8819299598 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 -0.0492550853 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.256764 0.000000 7.982030 7.644630 0.000000 7.369849 7.080543 1.542472 0.000000 6.787546 6.960312 2.606893 1.534086 0.000000 6.373457 6.596979 3.948091 2.546735 1.532615 0.000000 6.046404 6.767337 5.176476 3.940174 2.589296 1.539160 0.000000 7.132935 6.910206 1.553586 2.576941 3.119792 4.457596 5.419295 0.000000 9.187118 9.056218 1.532686 2.556420 3.197584 4.639237 5.707385 2.525538 0.000000 4.761756 5.811848 5.480689 4.487712 3.161551 2.546548 1.535918 5.279667 6.157870 0.000000 6.393304 7.099382 6.454880 5.069117 3.916076 2.524326 1.533710 6.808594 7.029023 2.516923 0.000000 5.974147 5.504284 2.540308 2.968701 3.496879 4.452414 5.392620 1.496129 3.871201 5.031159 6.640433 0.000000 4.679263 4.481957 3.561057 3.565678 3.589243 4.238372 4.865120 2.506153 4.816724 4.180150 6.057151 1.343690 0.000000 3.622340 3.051014 4.789081 4.553056 4.581716 4.818808 5.337164 3.882595 6.154946 4.509963 6.258844 2.500144 1.461033 0.000000 4.423196 3.021474 5.226818 5.071325 5.483969 5.691022 6.440507 4.477048 6.706700 5.803311 7.229900 2.982875 2.548789 1.503568 0.000000 2.310822 2.419454 5.787366 5.356697 5.026598 4.985331 5.119908 4.891781 7.056518 4.019102 5.889098 3.669654 2.402024 1.360269 2.537928 0.000000 1.357587 1.226323 7.120699 6.568656 6.242420 5.938324 5.946588 6.300212 8.438972 4.832957 6.408179 5.003001 3.808335 2.529743 3.106240 1.460396 0.000000 1.455516 2.678027 9.346975 8.662411 8.093152 7.525846 7.126893 8.543385 10.584939 5.906271 7.227219 7.333433 6.071052 4.903769 5.448392 3.671996 2.401851 0.000000 2.391017 4.155860 10.213133 9.502921 8.726848 8.114290 7.441432 9.387995 11.330679 6.139415 7.461266 8.313615 6.994223 6.010223 6.763867 4.680895 3.662152 1.512002 0.000000 8.472630 7.849343 1.097353 2.133582 3.504247 4.668232 6.020244 2.148885 2.141425 6.356772 7.189823 2.815062 4.021758 5.083541 5.204986 6.226579 7.482186 9.789704 10.772348 0.000000 8.261962 7.898373 2.158648 1.096942 2.162499 2.842960 4.303720 3.510021 2.754889 5.146982 5.235476 3.982666 4.635401 5.536086 5.926355 6.325369 7.458988 9.499507 10.341586 2.453081 0.000000 6.746300 6.209925 2.154236 1.096236 2.146141 2.677814 4.107130 2.830798 3.480239 4.500448 5.080175 2.647485 3.151043 3.858114 4.186266 4.727443 5.829739 7.977370 8.936762 2.389895 1.752638 0.000000 6.086028 6.426545 2.773587 2.156582 1.091442 2.153200 2.765827 2.693942 3.454634 2.768993 4.230630 2.964493 2.818192 3.913609 5.009911 4.287340 5.596585 7.457304 8.052122 3.746985 3.057254 2.553780 0.000000 7.665673 7.994218 2.931393 2.172577 1.096031 2.159670 2.873854 3.580968 2.959617 3.624978 4.198064 4.294848 4.472054 5.574073 6.521947 5.976073 7.217034 8.979514 9.501263 3.900944 2.471920 3.056918 1.750565 0.000000 5.696275 5.672398 4.125818 2.711679 2.158176 1.098947 2.151851 4.505854 5.116564 2.727936 2.804518 4.146940 3.832389 4.128518 4.859315 4.307586 5.137502 6.793586 7.527748 4.678555 3.109575 2.378712 2.546498 3.060845 0.000000 7.325609 7.424239 4.299774 2.817962 2.155753 1.097316 2.163284 5.116329 4.833950 3.481661 2.655594 5.226180 5.184966 5.751035 6.469830 5.982873 6.863751 8.405211 9.001958 4.902618 2.673386 3.033917 3.052553 2.467102 1.756890 0.000000 6.892875 7.744617 5.318895 4.225379 2.758926 2.149557 1.098563 5.620746 5.552805 2.149660 2.145643 5.862708 5.441604 6.112492 7.277773 5.936555 6.856993 8.007185 8.208016 6.251839 4.507178 4.646427 2.970106 2.606643 3.047227 2.540643 0.000000 7.886752 7.578409 2.156380 3.493690 4.157387 5.535160 6.494590 1.096936 2.758899 6.320822 7.898381 2.130904 3.240746 4.546197 4.964964 5.628842 7.019459 9.291183 10.158264 2.400375 4.294652 3.751540 3.747618 4.495563 5.585347 6.146253 6.641057 0.000000 6.948136 7.076918 2.180801 2.930809 2.922164 4.306833 5.000681 1.094201 2.702476 4.745040 6.480169 2.133592 2.623771 4.084305 4.985053 4.845620 6.300903 8.393717 9.081170 3.053379 3.893564 3.363904 2.252395 3.208135 4.529497 5.062940 5.065327 1.761705 0.000000 9.776991 9.596940 2.179935 3.508147 4.202784 5.678772 6.711161 2.755913 1.094577 7.037349 8.072924 4.179809 5.240073 6.608673 7.080912 7.587106 8.995600 11.194175 11.960305 2.479301 3.746077 4.307836 4.298715 3.983220 6.100881 5.918793 6.542191 2.538157 2.993082 0.000000 8.993080 9.132837 2.182082 2.853545 2.928171 4.397034 5.216982 2.796751 1.094346 5.629801 6.605506 4.164722 4.865496 6.255279 7.028811 6.985206 8.390997 10.407198 11.019962 3.065143 3.159354 3.865466 3.071095 2.420729 5.043210 4.671193 4.900869 3.168076 2.523964 1.766969 0.000000 9.904029 9.700478 2.178518 2.786375 3.533629 4.792680 5.944139 3.488947 1.094483 6.635055 7.127363 4.702780 5.654777 6.911130 7.375599 7.809428 9.139190 11.265855 12.025876 2.494116 2.533380 3.741375 4.070421 3.176565 5.324301 4.735153 5.749562 3.746280 3.734383 1.770541 1.769251 0.000000 3.870840 4.783944 5.643617 4.609999 3.541312 2.794545 2.176012 5.369028 6.554025 1.096083 2.793769 4.817279 3.836813 3.830740 5.040901 3.217806 3.868349 4.985695 5.383832 6.393553 5.313030 4.357068 3.139040 4.250432 2.521894 3.744172 3.066365 6.412212 5.002139 7.413949 6.179116 7.048721 0.000000 4.864535 5.908546 4.910751 4.186570 2.871813 2.829797 2.196753 4.507828 5.526635 1.092867 3.484960 4.381370 3.552956 4.144618 5.536980 3.794681 4.854109 6.154912 6.424270 5.851757 4.988635 4.311021 2.161076 3.287337 3.097016 3.858770 2.501963 5.492125 3.846118 6.311579 4.944324 6.140983 1.767135 0.000000 4.895546 6.288776 6.497984 5.542062 4.152136 3.500170 2.180984 6.237154 7.072235 1.094602 2.736256 6.012227 5.077011 5.319950 6.659381 4.618212 5.254053 5.905800 5.865898 7.408939 6.166376 5.592892 3.741712 4.455635 3.734451 4.316617 2.508391 7.244072 5.603260 7.931274 6.445795 7.550807 1.770172 1.765176 0.000000 7.418682 7.965058 6.625752 5.183720 4.159914 2.772376 2.184901 7.208588 7.078088 3.480713 1.094617 7.166205 6.751998 7.034503 7.904091 6.800615 7.349109 8.234801 8.507184 7.305874 5.118882 5.282646 4.710772 4.290126 3.189078 2.448468 2.492984 8.281757 6.943452 8.157305 6.696212 7.008039 3.805586 4.344238 3.744237 0.000000 6.505750 7.507199 7.336928 6.022597 4.751380 3.487366 2.184682 7.574673 7.838228 2.751973 1.094668 7.413878 6.711742 6.872754 7.941375 6.322193 6.743010 7.240535 7.251215 8.134244 6.239720 6.071866 4.922598 4.929502 3.797873 3.684947 2.503286 8.653736 7.131035 8.858433 7.308118 7.982115 3.131859 3.753624 2.515814 1.770735 0.000000 5.817098 6.336963 6.640512 5.211314 4.263390 2.783308 2.175873 6.940814 7.421016 2.787081 1.096285 6.545848 5.896540 5.857029 6.694808 5.442644 5.774985 6.541752 6.894355 7.266149 5.415868 4.988196 4.533950 4.776500 2.618007 2.969516 3.064662 8.037127 6.736342 8.451614 7.123039 7.544502 2.616288 3.808222 3.101277 1.769889 1.769017 0.000000 6.375926 5.512262 2.886462 3.337656 4.197297 5.033138 6.123600 2.201558 4.310673 5.856659 7.251605 1.087433 2.110165 2.759405 2.647350 4.086467 5.247053 7.642082 8.760749 2.735139 4.194537 2.791153 3.858668 5.038909 4.579886 5.686194 6.673755 2.533305 3.085365 4.538234 4.825518 5.015864 5.518558 5.319357 6.869567 7.716130 8.094964 7.042930 0.000000 4.588380 4.908582 3.785793 3.729372 3.323532 4.002205 4.342850 2.706744 4.800237 3.496259 5.638616 2.091138 1.087620 2.165361 3.509220 2.553047 4.008732 6.036778 6.747918 4.486757 4.815181 3.567510 2.340268 4.067049 3.811796 5.033871 4.795767 3.504599 2.363317 5.270176 4.602505 5.681740 3.356563 2.697163 4.301438 6.395987 6.173451 5.626772 3.063274 0.000000 5.290017 3.951749 5.087951 5.248649 5.836957 6.288280 7.132232 4.221112 6.522897 6.523970 8.048788 2.790422 2.730531 2.144469 1.092210 3.329726 4.018576 6.337791 7.625687 4.942640 6.110538 4.452319 5.339249 6.810101 5.555542 7.048211 7.880135 4.476196 4.844959 6.734777 6.934812 7.240622 5.871178 6.114372 7.406772 8.684701 8.785996 7.594632 2.244417 3.759149 0.000000 4.079075 2.310430 6.307915 6.086560 6.417183 6.469800 7.092792 5.536575 7.787564 6.351501 7.742700 4.040529 3.461159 2.162351 1.085664 2.709506 2.744448 4.880280 6.286666 6.276074 6.916474 5.166279 5.923773 7.470840 5.568549 7.251045 7.990092 5.998745 5.990119 8.161207 8.085293 8.451414 5.478739 6.175230 7.109601 8.468007 8.385110 7.103738 3.708737 4.308208 1.773730 0.000000 4.970128 3.447605 4.942833 4.603590 5.180216 5.266062 6.187027 4.519567 6.469960 5.795248 6.869117 3.112549 2.935285 2.138737 1.095529 3.141839 3.651971 5.934186 7.272107 4.811054 5.320166 3.599852 4.920760 6.247736 4.359323 5.906055 7.065436 5.090889 5.144626 6.933066 6.881399 6.999042 5.025973 5.658380 6.726241 7.429008 7.679025 6.284515 2.610203 3.917355 1.758972 1.766602 0.000000 2.391752 3.299654 5.791275 5.346116 4.731931 4.713960 4.587524 4.865288 6.899619 3.300376 5.449945 3.895152 2.555949 2.103772 3.500842 1.083959 2.145715 3.845263 4.530250 6.401711 6.337815 4.909135 3.881974 5.564599 4.235247 5.776366 5.295931 5.651183 4.579134 7.458541 6.662521 7.683510 2.667089 2.975976 3.778541 6.421912 5.760164 5.162930 4.551529 2.225976 4.185769 3.777051 4.055898 0.000000 2.078564 2.624937 9.425401 8.606761 8.092077 7.363486 7.022213 8.777468 10.708138 5.972529 6.934339 7.539910 6.343587 5.123578 5.515818 3.991813 2.659267 1.092178 2.170139 9.814910 9.355315 7.856640 7.585747 9.013008 6.553421 8.146042 7.976791 9.581559 8.706438 11.381833 10.582327 11.303321 4.975102 6.377088 6.023134 7.877846 6.993145 6.128979 7.766741 6.398063 6.493950 4.926269 5.813601 4.285432 0.000000 2.078919 2.648224 9.778331 9.213619 8.769865 8.313780 8.031290 8.882602 11.063319 6.797888 8.211278 7.595521 6.377885 5.117136 5.455576 4.014232 2.674087 1.092200 2.170296 10.145466 10.083274 8.479273 8.095140 9.690180 7.537744 9.208894 8.915401 9.537333 8.800055 11.596931 10.947646 11.785041 5.869358 6.942830 6.863379 9.207394 8.278647 7.510646 7.809738 6.454128 6.246358 4.730031 6.044517 4.351218 1.773801 0.000000 2.653339 4.571804 9.965025 9.150236 8.250414 7.531114 6.713775 9.246597 11.011163 5.459852 6.626703 8.277051 6.961124 6.113366 7.002356 4.766598 3.938031 2.159349 1.092805 10.590762 9.938087 8.654067 7.632984 8.962019 7.026110 8.379380 7.443368 10.089875 8.876027 11.707394 10.636945 11.655336 4.779704 5.863429 5.065899 7.669343 6.319933 6.112241 8.800189 6.610664 7.914191 6.659892 7.409630 4.453289 2.513717 3.077917 0.000000 2.654029 4.585945 10.300531 9.724768 8.917767 8.464710 7.765211 9.346995 11.357865 6.353964 7.955852 8.328266 6.992845 6.108456 6.955535 4.785872 3.948644 2.159847 1.092827 10.898879 10.627977 9.224626 8.140661 9.644328 7.954317 9.418262 8.443497 10.048134 8.968295 11.917333 11.001397 12.124340 5.706614 6.475463 6.042564 9.032421 7.721046 7.499833 8.838748 6.665308 7.712516 6.516462 7.593195 4.517022 3.078160 2.514651 1.777651 0.000000 3.344072 4.782492 11.229730 10.482609 9.729300 9.042820 8.358456 10.427950 12.374469 7.115704 8.245884 9.313513 8.008692 6.953053 7.581227 5.654573 4.508000 2.138138 1.093135 11.756777 11.291531 9.876274 9.092060 10.514871 8.421030 9.885001 9.142587 11.195446 10.151155 13.014382 12.080985 13.049310 6.342309 7.464548 6.804610 9.261583 7.992923 7.622645 9.705666 7.810028 8.453238 7.003783 8.058560 5.585980 2.505307 2.505279 1.772435 1.772179 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:-3.8667,-.1085,-.4818;-3.5184,-1.524,1.241;4.025,-1.1818,.0493;3.3859,-.0109,.8237;2.7947,1.1149,-.0344;1.9714,2.1067,.7948;1.202,3.1565,-.0268;3.0323,-1.8634,-.9324;5.2944,-.7642,-.7014;.0866,2.5177,-.8675;.6181,4.2353,.8938;1.7245,-2.2043,-.2907;.5565,-1.6287,-.6223;-.7212,-1.8214,.0596;-.8041,-2.8485,1.1545;-1.7477,-1.0175,-.328;-3.0893,-.9512,.2453;-5.234,.0953,-.0263;-5.8817,1.0818,-.9716;4.3075,-1.935,.7957;4.1358,.4065,1.507;2.5876,-.4135,1.4579;2.1589,.6821,-.8088;3.5933,1.6534,-.5573;1.246,1.5501,1.4043;2.6363,2.6197,1.5011;1.913,3.6403,-.7103;3.5085,-2.7788,-1.3046;2.8655,-1.2144,-1.7975;5.7663,-1.6253,-1.1849;5.0705,-.0281,-1.4795;6.0242,-.319,-.018;-.6297,1.998,-.2209;.4739,1.7902,-1.5853;-.4622,3.2788,-1.4312;1.4028,4.7346,1.4709;.0816,4.9993,.322;-.0897,3.7928,1.6045;1.7679,-2.9154,.5309;.5519,-.9014,-1.4309;-.2843,-3.7627,.8593;-1.83,-3.0918,1.4133;-.3049,-2.4719,2.0541;-1.577,-.3198,-1.1398;-5.2055,.4723,.9984;-5.748,-.8683,-.0286;-5.3512,2.0372,-.9634;-5.8951,.6943,-1.9933;-6.9136,1.2583,-.6572; 0.4301220 0.1766774 0.1360267 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= 1.62D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.54D-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= 612 608 612 612 612 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.615228178972 -816.615228179 1 8.127701268849e+02 -4.827648430259e+03 1.733416202401e+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. PT688.900S 2024-09-21T04:01:03.000 -19.16766 -19.11514 -10.30781 -10.22233 -10.20834 -10.17918 -10.17576 -10.17038 -10.16737 -10.16247 -10.16190 -10.16021 -10.15864 -10.15082 -10.14976 -10.14807 -10.14766 -10.14615 -10.14499 -1.10588 -1.01958 -0.84002 -0.81633 -0.79935 -0.78033 -0.75958 -0.73470 -0.71209 -0.68210 -0.67377 -0.66533 -0.64812 -0.60515 -0.59644 -0.56382 -0.54962 -0.53632 -0.53365 -0.50580 -0.49236 -0.48075 -0.47188 -0.46621 -0.45531 -0.44263 -0.43274 -0.43130 -0.42495 -0.41447 -0.41311 -0.40710 -0.40036 -0.39316 -0.38820 -0.37766 -0.37575 -0.37316 -0.36724 -0.36161 -0.35797 -0.35486 -0.35293 -0.35159 -0.33753 -0.32968 -0.32531 -0.31435 -0.31166 -0.30970 -0.30883 -0.29943 -0.29216 -0.28695 -0.23591 -0.06961 0.00535 0.01360 0.01576 0.02011 0.02510 0.02794 0.03149 0.03669 0.03764 0.04081 0.04606 0.04855 0.05225 0.05497 0.06072 0.06288 0.06627 0.06884 0.06953 0.07358 0.07872 0.07899 0.08530 0.08843 0.09080 0.09567 0.09775 0.10020 0.10344 0.10605 0.10896 0.10984 0.11711 0.11972 0.12178 0.12402 0.12964 0.13049 0.13325 0.13906 0.14268 0.14474 0.14541 0.15278 0.15657 0.16004 0.16401 0.16699 0.16840 0.17515 0.17679 0.18372 0.18431 0.18690 0.19034 0.19497 0.19626 0.20044 0.20062 0.20244 0.20354 0.20558 0.20810 0.21086 0.21324 0.21657 0.21823 0.22098 0.22343 0.22480 0.22814 0.23149 0.23267 0.23550 0.23782 0.24051 0.24090 0.24217 0.25012 0.25311 0.25493 0.25912 0.26037 0.26367 0.26508 0.26770 0.27020 0.27228 0.27640 0.27803 0.27997 0.28276 0.28647 0.29079 0.29223 0.29540 0.30146 0.30475 0.30492 0.30846 0.31214 0.31598 0.31990 0.32464 0.33074 0.33218 0.33862 0.34356 0.34760 0.35574 0.35713 0.36561 0.37281 0.38135 0.38421 0.38730 0.39618 0.39875 0.40435 0.41486 0.41737 0.42352 0.42742 0.43303 0.44030 0.45157 0.45278 0.45790 0.46507 0.47718 0.48425 0.48683 0.48849 0.49761 0.50384 0.51362 0.51553 0.52339 0.53135 0.53538 0.54062 0.54281 0.55337 0.55950 0.56876 0.57332 0.57739 0.58806 0.59071 0.59984 0.60799 0.61761 0.62177 0.62985 0.63056 0.63408 0.64009 0.64265 0.65172 0.65369 0.65720 0.66260 0.66648 0.66934 0.67217 0.67793 0.68409 0.68496 0.68926 0.69477 0.69872 0.70590 0.71175 0.71587 0.72143 0.72275 0.72431 0.72826 0.73097 0.73625 0.73964 0.74128 0.74246 0.75589 0.75900 0.76236 0.76709 0.77675 0.78192 0.78484 0.78934 0.79220 0.79733 0.80164 0.81091 0.81629 0.81749 0.82351 0.83800 0.84090 0.86125 0.86237 0.87340 0.89435 0.90550 0.91002 0.91913 0.93103 0.94196 0.95637 0.96098 0.97534 0.98718 0.99972 1.00391 1.01198 1.02524 1.02923 1.03620 1.04428 1.06037 1.07059 1.07930 1.09062 1.09573 1.10631 1.11343 1.11940 1.12095 1.13734 1.16239 1.16872 1.18547 1.18959 1.19187 1.19667 1.21153 1.22949 1.23624 1.25650 1.25799 1.26929 1.27196 1.28123 1.32011 1.32997 1.34463 1.35073 1.40146 1.41607 1.42936 1.44837 1.44917 1.46370 1.46476 1.46818 1.47686 1.48277 1.48883 1.49561 1.49972 1.50351 1.51367 1.53096 1.53363 1.53767 1.54021 1.54234 1.55206 1.56417 1.56781 1.57067 1.57564 1.58607 1.58662 1.59252 1.59289 1.60009 1.60642 1.61385 1.61704 1.62398 1.62739 1.63358 1.64151 1.64693 1.65096 1.65638 1.66030 1.66539 1.66729 1.67296 1.68151 1.68898 1.69653 1.70660 1.71164 1.72169 1.73051 1.73858 1.74297 1.74962 1.75578 1.76014 1.76614 1.77112 1.77905 1.78323 1.79148 1.79992 1.80366 1.81251 1.81553 1.82221 1.83361 1.83625 1.85329 1.86199 1.87331 1.88203 1.88438 1.90514 1.92326 1.93154 1.94847 1.95299 1.96434 1.97951 1.99527 2.00343 2.00587 2.01342 2.03390 2.04767 2.05884 2.07113 2.08237 2.08559 2.08652 2.10183 2.11020 2.11457 2.12334 2.13549 2.14164 2.14943 2.15808 2.17391 2.18308 2.19774 2.20667 2.22284 2.22765 2.24087 2.25185 2.25594 2.27719 2.27984 2.31188 2.31478 2.32622 2.34032 2.35132 2.36197 2.37472 2.37857 2.40472 2.41042 2.42337 2.44206 2.45034 2.45649 2.46502 2.46883 2.47425 2.47590 2.48963 2.50504 2.50931 2.51547 2.52025 2.52699 2.53096 2.54440 2.54806 2.55390 2.56196 2.56530 2.56983 2.57484 2.58764 2.59127 2.59455 2.59885 2.60802 2.61691 2.62341 2.63051 2.63266 2.64814 2.65537 2.66160 2.66854 2.66973 2.67748 2.68529 2.68640 2.70508 2.71879 2.73185 2.73478 2.74256 2.75935 2.76663 2.77672 2.78354 2.79727 2.80331 2.81568 2.81824 2.82697 2.82886 2.84489 2.84674 2.86276 2.87501 2.88467 2.88991 2.90687 2.91815 2.92077 2.94351 2.95587 2.96790 2.97490 2.97903 2.98876 3.00384 3.01379 3.02575 3.04323 3.05244 3.06189 3.07468 3.07818 3.09930 3.13659 3.14615 3.16498 3.17502 3.19753 3.21450 3.23664 3.28063 3.29099 3.32564 3.35519 3.36013 3.40098 3.44034 3.49363 3.53682 3.58492 3.61235 3.65702 3.68888 3.78937 3.79967 3.80649 3.80889 3.81531 3.81793 3.82249 3.82461 3.82596 3.83853 3.85317 3.86728 3.87336 3.87762 3.89227 3.95794 4.00913 4.02251 4.05200 4.07709 4.12200 4.14026 4.21759 4.25569 4.27575 4.30159 4.31496 4.34592 4.41145 4.43592 4.51738 4.99807 5.06469 5.23301 5.36751 5.65681 5.86185 23.69474 23.83732 23.84528 23.85199 23.85552 23.87461 23.91041 23.92856 23.94421 23.96443 23.98017 23.98157 23.98317 23.98829 24.00355 24.16599 24.24319 49.90399 50.01557 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 -0.134058 -0.429391 0.260251 -0.422311 -0.006469 -0.479640 0.320139 -0.722100 -0.740436 -0.600963 -0.648383 -0.077637 0.192133 0.588048 -0.761265 -0.415269 -0.025409 0.017752 -0.556957 0.148716 0.151028 0.146356 0.111401 0.142828 0.142607 0.141083 0.130066 0.171389 0.166654 0.146266 0.157060 0.153762 0.150689 0.145809 0.142874 0.143425 0.144656 0.147351 0.169517 0.143370 0.173976 0.172764 0.192736 0.168597 0.177951 0.178317 0.155342 0.156531 0.168844 -0.00000 3.1504 0.6007 -1.7184 3.6385 -112.5189 -121.4778 -126.1453 -12.9023 6.6507 0.8099 7.5284 -1.4305 -6.0979 -12.9023 6.6507 0.8099 -102.1262 -19.0726 -4.3027 13.9660 30.5865 -25.3926 6.2977 3.7336 -0.8744 -16.0095 -6881.0035 -3091.0626 -648.6452 -190.1936 131.6383 -41.0829 -47.5032 17.3672 -9.0733 -1784.2638 -1430.1717 -642.1512 69.1143 27.0631 -23.6010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 ALCAMI 2024-09-21T00:00:00.000 0 Wavefunction Hydroprene CONF286water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.6152282 RMSD=2.182e-09 Dipole=-1.2058051,0.4775286,0.6059247 Quadrupole=8.09106,-4.0162222,-4.0748377,8.5702667,4.4085239,-1.1622572 PG=C01 [X(C17H30O2)] 0 3.700469684 -0.543324306 0.6265852293 0 3.1843938038 -2.0322216623 -0.9889129739 0 -4.2457018083 -0.4554982588 -0.1240516875 0 -3.4142714271 0.5350962787 -0.9646850408 0 -2.6798983257 1.6280762023 -0.1775943758 0 -1.692618536 2.4097383587 -1.0512026217 0 -0.7929828233 3.3978061751 -0.2874015956 0 -3.3956220306 -1.1924460293 0.9473495989 0 -5.4551855365 0.2114447986 0.5403740109 0 0.1885944689 2.6723742459 0.6449603048 0 -0.0263101484 4.2934816102 -1.2683430951 0 -2.1392740299 -1.7803650231 0.3866867223 0 -0.9058672965 -1.3613246085 0.7162543319 0 0.3445681811 -1.8021260215 0.1024763619 0 0.2975528458 -2.9198688476 -0.9020914341 0 1.471833551 -1.1320560396 0.4638759528 0 2.8222600889 -1.3181479549 -0.0600281854 0 5.0943683914 -0.587712742 0.2099274525 0 5.8607310898 0.3670083323 1.0972531213 0 -4.6207791552 -1.2184594759 -0.8178757474 0 -4.0728859475 1.0007559936 -1.7081027122 0 -2.6707626354 -0.0360842905 -1.5327353945 0 -2.1387340902 1.1721097906 0.6533579044 0 -3.399889297 2.3236126703 0.2686401842 0 -1.0454374709 1.6999590296 -1.5851084135 0 -2.252015942 2.9548458624 -1.8219394171 0 -1.4390145514 4.0400621316 0.3265947355 0 -4.0163728777 -1.9903215616 1.3731796225 0 -3.1539640728 -0.504466693 1.7631691885 0 -6.0663080728 -0.5240781339 1.0729477615 0 -5.141485461 0.9692558043 1.2648786108 0 -6.0897921051 0.7015609999 -0.2045775569 0 0.8333635913 1.9971685671 0.0707066367 0 -0.3245536173 2.0757578333 1.4033042345 0 0.83270959 3.3874334333 1.1664581798 0 -0.709635789 4.8542109972 -1.9139712145 0 0.6058912721 5.0138518186 -0.7394900094 0 0.6235833559 3.6901529543 -1.9129161888 0 -2.2696929437 -2.5444116919 -0.3760286721 0 -0.8108652213 -0.5765236739 1.4632343225 0 -0.3639891101 -3.7164929015 -0.554708948 0 1.2804238347 -3.3362988962 -1.100124564 0 -0.1140210457 -2.5505868982 -1.8478304439 0 1.3889427772 -0.349694292 1.2095349969 0 5.1510183134 -0.2998446741 -0.8421067633 0 5.4540394676 -1.6141316064 0.3099334022 0 5.4837249062 1.3872472558 0.9914146413 0 5.7876479746 0.0707387614 2.1466117955 0 6.9154702213 0.3582692068 0.8102127678 Gaussian 16 21-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=Water) 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9474;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 CONF286 water 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 1464.8819299598 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 -0.0492550853 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.256764 0.000000 7.982030 7.644630 0.000000 7.369849 7.080543 1.542472 0.000000 6.787546 6.960312 2.606893 1.534086 0.000000 6.373457 6.596979 3.948091 2.546735 1.532615 0.000000 6.046404 6.767337 5.176476 3.940174 2.589296 1.539160 0.000000 7.132935 6.910206 1.553586 2.576941 3.119792 4.457596 5.419295 0.000000 9.187118 9.056218 1.532686 2.556420 3.197584 4.639237 5.707385 2.525538 0.000000 4.761756 5.811848 5.480689 4.487712 3.161551 2.546548 1.535918 5.279667 6.157870 0.000000 6.393304 7.099382 6.454880 5.069117 3.916076 2.524326 1.533710 6.808594 7.029023 2.516923 0.000000 5.974147 5.504284 2.540308 2.968701 3.496879 4.452414 5.392620 1.496129 3.871201 5.031159 6.640433 0.000000 4.679263 4.481957 3.561057 3.565678 3.589243 4.238372 4.865120 2.506153 4.816724 4.180150 6.057151 1.343690 0.000000 3.622340 3.051014 4.789081 4.553056 4.581716 4.818808 5.337164 3.882595 6.154946 4.509963 6.258844 2.500144 1.461033 0.000000 4.423196 3.021474 5.226818 5.071325 5.483969 5.691022 6.440507 4.477048 6.706700 5.803311 7.229900 2.982875 2.548789 1.503568 0.000000 2.310822 2.419454 5.787366 5.356697 5.026598 4.985331 5.119908 4.891781 7.056518 4.019102 5.889098 3.669654 2.402024 1.360269 2.537928 0.000000 1.357587 1.226323 7.120699 6.568656 6.242420 5.938324 5.946588 6.300212 8.438972 4.832957 6.408179 5.003001 3.808335 2.529743 3.106240 1.460396 0.000000 1.455516 2.678027 9.346975 8.662411 8.093152 7.525846 7.126893 8.543385 10.584939 5.906271 7.227219 7.333433 6.071052 4.903769 5.448392 3.671996 2.401851 0.000000 2.391017 4.155860 10.213133 9.502921 8.726848 8.114290 7.441432 9.387995 11.330679 6.139415 7.461266 8.313615 6.994223 6.010223 6.763867 4.680895 3.662152 1.512002 0.000000 8.472630 7.849343 1.097353 2.133582 3.504247 4.668232 6.020244 2.148885 2.141425 6.356772 7.189823 2.815062 4.021758 5.083541 5.204986 6.226579 7.482186 9.789704 10.772348 0.000000 8.261962 7.898373 2.158648 1.096942 2.162499 2.842960 4.303720 3.510021 2.754889 5.146982 5.235476 3.982666 4.635401 5.536086 5.926355 6.325369 7.458988 9.499507 10.341586 2.453081 0.000000 6.746300 6.209925 2.154236 1.096236 2.146141 2.677814 4.107130 2.830798 3.480239 4.500448 5.080175 2.647485 3.151043 3.858114 4.186266 4.727443 5.829739 7.977370 8.936762 2.389895 1.752638 0.000000 6.086028 6.426545 2.773587 2.156582 1.091442 2.153200 2.765827 2.693942 3.454634 2.768993 4.230630 2.964493 2.818192 3.913609 5.009911 4.287340 5.596585 7.457304 8.052122 3.746985 3.057254 2.553780 0.000000 7.665673 7.994218 2.931393 2.172577 1.096031 2.159670 2.873854 3.580968 2.959617 3.624978 4.198064 4.294848 4.472054 5.574073 6.521947 5.976073 7.217034 8.979514 9.501263 3.900944 2.471920 3.056918 1.750565 0.000000 5.696275 5.672398 4.125818 2.711679 2.158176 1.098947 2.151851 4.505854 5.116564 2.727936 2.804518 4.146940 3.832389 4.128518 4.859315 4.307586 5.137502 6.793586 7.527748 4.678555 3.109575 2.378712 2.546498 3.060845 0.000000 7.325609 7.424239 4.299774 2.817962 2.155753 1.097316 2.163284 5.116329 4.833950 3.481661 2.655594 5.226180 5.184966 5.751035 6.469830 5.982873 6.863751 8.405211 9.001958 4.902618 2.673386 3.033917 3.052553 2.467102 1.756890 0.000000 6.892875 7.744617 5.318895 4.225379 2.758926 2.149557 1.098563 5.620746 5.552805 2.149660 2.145643 5.862708 5.441604 6.112492 7.277773 5.936555 6.856993 8.007185 8.208016 6.251839 4.507178 4.646427 2.970106 2.606643 3.047227 2.540643 0.000000 7.886752 7.578409 2.156380 3.493690 4.157387 5.535160 6.494590 1.096936 2.758899 6.320822 7.898381 2.130904 3.240746 4.546197 4.964964 5.628842 7.019459 9.291183 10.158264 2.400375 4.294652 3.751540 3.747618 4.495563 5.585347 6.146253 6.641057 0.000000 6.948136 7.076918 2.180801 2.930809 2.922164 4.306833 5.000681 1.094201 2.702476 4.745040 6.480169 2.133592 2.623771 4.084305 4.985053 4.845620 6.300903 8.393717 9.081170 3.053379 3.893564 3.363904 2.252395 3.208135 4.529497 5.062940 5.065327 1.761705 0.000000 9.776991 9.596940 2.179935 3.508147 4.202784 5.678772 6.711161 2.755913 1.094577 7.037349 8.072924 4.179809 5.240073 6.608673 7.080912 7.587106 8.995600 11.194175 11.960305 2.479301 3.746077 4.307836 4.298715 3.983220 6.100881 5.918793 6.542191 2.538157 2.993082 0.000000 8.993080 9.132837 2.182082 2.853545 2.928171 4.397034 5.216982 2.796751 1.094346 5.629801 6.605506 4.164722 4.865496 6.255279 7.028811 6.985206 8.390997 10.407198 11.019962 3.065143 3.159354 3.865466 3.071095 2.420729 5.043210 4.671193 4.900869 3.168076 2.523964 1.766969 0.000000 9.904029 9.700478 2.178518 2.786375 3.533629 4.792680 5.944139 3.488947 1.094483 6.635055 7.127363 4.702780 5.654777 6.911130 7.375599 7.809428 9.139190 11.265855 12.025876 2.494116 2.533380 3.741375 4.070421 3.176565 5.324301 4.735153 5.749562 3.746280 3.734383 1.770541 1.769251 0.000000 3.870840 4.783944 5.643617 4.609999 3.541312 2.794545 2.176012 5.369028 6.554025 1.096083 2.793769 4.817279 3.836813 3.830740 5.040901 3.217806 3.868349 4.985695 5.383832 6.393553 5.313030 4.357068 3.139040 4.250432 2.521894 3.744172 3.066365 6.412212 5.002139 7.413949 6.179116 7.048721 0.000000 4.864535 5.908546 4.910751 4.186570 2.871813 2.829797 2.196753 4.507828 5.526635 1.092867 3.484960 4.381370 3.552956 4.144618 5.536980 3.794681 4.854109 6.154912 6.424270 5.851757 4.988635 4.311021 2.161076 3.287337 3.097016 3.858770 2.501963 5.492125 3.846118 6.311579 4.944324 6.140983 1.767135 0.000000 4.895546 6.288776 6.497984 5.542062 4.152136 3.500170 2.180984 6.237154 7.072235 1.094602 2.736256 6.012227 5.077011 5.319950 6.659381 4.618212 5.254053 5.905800 5.865898 7.408939 6.166376 5.592892 3.741712 4.455635 3.734451 4.316617 2.508391 7.244072 5.603260 7.931274 6.445795 7.550807 1.770172 1.765176 0.000000 7.418682 7.965058 6.625752 5.183720 4.159914 2.772376 2.184901 7.208588 7.078088 3.480713 1.094617 7.166205 6.751998 7.034503 7.904091 6.800615 7.349109 8.234801 8.507184 7.305874 5.118882 5.282646 4.710772 4.290126 3.189078 2.448468 2.492984 8.281757 6.943452 8.157305 6.696212 7.008039 3.805586 4.344238 3.744237 0.000000 6.505750 7.507199 7.336928 6.022597 4.751380 3.487366 2.184682 7.574673 7.838228 2.751973 1.094668 7.413878 6.711742 6.872754 7.941375 6.322193 6.743010 7.240535 7.251215 8.134244 6.239720 6.071866 4.922598 4.929502 3.797873 3.684947 2.503286 8.653736 7.131035 8.858433 7.308118 7.982115 3.131859 3.753624 2.515814 1.770735 0.000000 5.817098 6.336963 6.640512 5.211314 4.263390 2.783308 2.175873 6.940814 7.421016 2.787081 1.096285 6.545848 5.896540 5.857029 6.694808 5.442644 5.774985 6.541752 6.894355 7.266149 5.415868 4.988196 4.533950 4.776500 2.618007 2.969516 3.064662 8.037127 6.736342 8.451614 7.123039 7.544502 2.616288 3.808222 3.101277 1.769889 1.769017 0.000000 6.375926 5.512262 2.886462 3.337656 4.197297 5.033138 6.123600 2.201558 4.310673 5.856659 7.251605 1.087433 2.110165 2.759405 2.647350 4.086467 5.247053 7.642082 8.760749 2.735139 4.194537 2.791153 3.858668 5.038909 4.579886 5.686194 6.673755 2.533305 3.085365 4.538234 4.825518 5.015864 5.518558 5.319357 6.869567 7.716130 8.094964 7.042930 0.000000 4.588380 4.908582 3.785793 3.729372 3.323532 4.002205 4.342850 2.706744 4.800237 3.496259 5.638616 2.091138 1.087620 2.165361 3.509220 2.553047 4.008732 6.036778 6.747918 4.486757 4.815181 3.567510 2.340268 4.067049 3.811796 5.033871 4.795767 3.504599 2.363317 5.270176 4.602505 5.681740 3.356563 2.697163 4.301438 6.395987 6.173451 5.626772 3.063274 0.000000 5.290017 3.951749 5.087951 5.248649 5.836957 6.288280 7.132232 4.221112 6.522897 6.523970 8.048788 2.790422 2.730531 2.144469 1.092210 3.329726 4.018576 6.337791 7.625687 4.942640 6.110538 4.452319 5.339249 6.810101 5.555542 7.048211 7.880135 4.476196 4.844959 6.734777 6.934812 7.240622 5.871178 6.114372 7.406772 8.684701 8.785996 7.594632 2.244417 3.759149 0.000000 4.079075 2.310430 6.307915 6.086560 6.417183 6.469800 7.092792 5.536575 7.787564 6.351501 7.742700 4.040529 3.461159 2.162351 1.085664 2.709506 2.744448 4.880280 6.286666 6.276074 6.916474 5.166279 5.923773 7.470840 5.568549 7.251045 7.990092 5.998745 5.990119 8.161207 8.085293 8.451414 5.478739 6.175230 7.109601 8.468007 8.385110 7.103738 3.708737 4.308208 1.773730 0.000000 4.970128 3.447605 4.942833 4.603590 5.180216 5.266062 6.187027 4.519567 6.469960 5.795248 6.869117 3.112549 2.935285 2.138737 1.095529 3.141839 3.651971 5.934186 7.272107 4.811054 5.320166 3.599852 4.920760 6.247736 4.359323 5.906055 7.065436 5.090889 5.144626 6.933066 6.881399 6.999042 5.025973 5.658380 6.726241 7.429008 7.679025 6.284515 2.610203 3.917355 1.758972 1.766602 0.000000 2.391752 3.299654 5.791275 5.346116 4.731931 4.713960 4.587524 4.865288 6.899619 3.300376 5.449945 3.895152 2.555949 2.103772 3.500842 1.083959 2.145715 3.845263 4.530250 6.401711 6.337815 4.909135 3.881974 5.564599 4.235247 5.776366 5.295931 5.651183 4.579134 7.458541 6.662521 7.683510 2.667089 2.975976 3.778541 6.421912 5.760164 5.162930 4.551529 2.225976 4.185769 3.777051 4.055898 0.000000 2.078564 2.624937 9.425401 8.606761 8.092077 7.363486 7.022213 8.777468 10.708138 5.972529 6.934339 7.539910 6.343587 5.123578 5.515818 3.991813 2.659267 1.092178 2.170139 9.814910 9.355315 7.856640 7.585747 9.013008 6.553421 8.146042 7.976791 9.581559 8.706438 11.381833 10.582327 11.303321 4.975102 6.377088 6.023134 7.877846 6.993145 6.128979 7.766741 6.398063 6.493950 4.926269 5.813601 4.285432 0.000000 2.078919 2.648224 9.778331 9.213619 8.769865 8.313780 8.031290 8.882602 11.063319 6.797888 8.211278 7.595521 6.377885 5.117136 5.455576 4.014232 2.674087 1.092200 2.170296 10.145466 10.083274 8.479273 8.095140 9.690180 7.537744 9.208894 8.915401 9.537333 8.800055 11.596931 10.947646 11.785041 5.869358 6.942830 6.863379 9.207394 8.278647 7.510646 7.809738 6.454128 6.246358 4.730031 6.044517 4.351218 1.773801 0.000000 2.653339 4.571804 9.965025 9.150236 8.250414 7.531114 6.713775 9.246597 11.011163 5.459852 6.626703 8.277051 6.961124 6.113366 7.002356 4.766598 3.938031 2.159349 1.092805 10.590762 9.938087 8.654067 7.632984 8.962019 7.026110 8.379380 7.443368 10.089875 8.876027 11.707394 10.636945 11.655336 4.779704 5.863429 5.065899 7.669343 6.319933 6.112241 8.800189 6.610664 7.914191 6.659892 7.409630 4.453289 2.513717 3.077917 0.000000 2.654029 4.585945 10.300531 9.724768 8.917767 8.464710 7.765211 9.346995 11.357865 6.353964 7.955852 8.328266 6.992845 6.108456 6.955535 4.785872 3.948644 2.159847 1.092827 10.898879 10.627977 9.224626 8.140661 9.644328 7.954317 9.418262 8.443497 10.048134 8.968295 11.917333 11.001397 12.124340 5.706614 6.475463 6.042564 9.032421 7.721046 7.499833 8.838748 6.665308 7.712516 6.516462 7.593195 4.517022 3.078160 2.514651 1.777651 0.000000 3.344072 4.782492 11.229730 10.482609 9.729300 9.042820 8.358456 10.427950 12.374469 7.115704 8.245884 9.313513 8.008692 6.953053 7.581227 5.654573 4.508000 2.138138 1.093135 11.756777 11.291531 9.876274 9.092060 10.514871 8.421030 9.885001 9.142587 11.195446 10.151155 13.014382 12.080985 13.049310 6.342309 7.464548 6.804610 9.261583 7.992923 7.622645 9.705666 7.810028 8.453238 7.003783 8.058560 5.585980 2.505307 2.505279 1.772435 1.772179 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:-3.8667,-.1085,-.4818;-3.5184,-1.524,1.241;4.025,-1.1818,.0493;3.3859,-.0109,.8237;2.7947,1.1149,-.0344;1.9714,2.1067,.7948;1.202,3.1565,-.0268;3.0323,-1.8634,-.9324;5.2944,-.7642,-.7014;.0866,2.5177,-.8675;.6181,4.2353,.8938;1.7245,-2.2043,-.2907;.5565,-1.6287,-.6223;-.7212,-1.8214,.0596;-.8041,-2.8485,1.1545;-1.7477,-1.0175,-.328;-3.0893,-.9512,.2453;-5.234,.0953,-.0263;-5.8817,1.0818,-.9716;4.3075,-1.935,.7957;4.1358,.4065,1.507;2.5876,-.4135,1.4579;2.1589,.6821,-.8088;3.5933,1.6534,-.5573;1.246,1.5501,1.4043;2.6363,2.6197,1.5011;1.913,3.6403,-.7103;3.5085,-2.7788,-1.3046;2.8655,-1.2144,-1.7975;5.7663,-1.6253,-1.1849;5.0705,-.0281,-1.4795;6.0242,-.319,-.018;-.6297,1.998,-.2209;.4739,1.7902,-1.5853;-.4622,3.2788,-1.4312;1.4028,4.7346,1.4709;.0816,4.9993,.322;-.0897,3.7928,1.6045;1.7679,-2.9154,.5309;.5519,-.9014,-1.4309;-.2843,-3.7627,.8593;-1.83,-3.0918,1.4133;-.3049,-2.4719,2.0541;-1.577,-.3198,-1.1398;-5.2055,.4723,.9984;-5.748,-.8683,-.0286;-5.3512,2.0372,-.9634;-5.8951,.6943,-1.9933;-6.9136,1.2583,-.6572; 0.4301220 0.1766774 0.1360267 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= 1.62D-06 NBF= 598 NBsUse= 597 1.00D-06 EigRej= 4.54D-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= 612 608 612 612 612 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.615228178971 -816.615228179 1 8.127701268849e+02 -4.827648430259e+03 1.733416202401e+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 4.2697 290.38 0.8911 0.000 74 75 0.69897 -816.458318181 2 Singlet-A 4.6755 265.18 0.0101 0.000 73 75 0.69268 3 Singlet-A 5.4572 227.19 0.0006 0.000 72 75 0.70132 4 Singlet-A 5.6620 218.98 0.0702 0.000 71 75 0.68733 5 Singlet-A 5.8627 211.48 0.0030 0.000 69 75 -0.11123 74 76 0.65853 74 78 -0.11201 74 80 0.11705 6 Singlet-A 5.8869 210.61 0.0119 0.000 65 75 0.11427 67 75 0.12343 68 75 0.24715 69 75 0.61195 74 76 0.11478 7 Singlet-A 5.9158 209.58 0.0270 0.000 70 75 0.67988 74 76 -0.10273 8 Singlet-A 6.0110 206.26 0.0185 0.000 68 75 0.63716 69 75 -0.28218 9 Singlet-A 6.0930 203.48 0.0047 0.000 65 75 0.11809 67 75 0.65942 69 75 -0.12103 10 Singlet-A 6.1708 200.92 0.0011 0.000 74 77 0.53582 74 78 -0.39079 74 79 -0.15126 PT28147.900S 2024-09-21T05:05:33.000 -19.16766 -19.11514 -10.30781 -10.22233 -10.20834 -10.17918 -10.17576 -10.17038 -10.16737 -10.16247 -10.16190 -10.16021 -10.15864 -10.15082 -10.14976 -10.14807 -10.14766 -10.14615 -10.14499 -1.10588 -1.01958 -0.84002 -0.81633 -0.79935 -0.78033 -0.75958 -0.73470 -0.71209 -0.68210 -0.67377 -0.66533 -0.64812 -0.60515 -0.59644 -0.56382 -0.54962 -0.53632 -0.53365 -0.50580 -0.49236 -0.48075 -0.47188 -0.46621 -0.45531 -0.44263 -0.43274 -0.43130 -0.42495 -0.41447 -0.41311 -0.40710 -0.40036 -0.39316 -0.38820 -0.37766 -0.37575 -0.37316 -0.36724 -0.36161 -0.35797 -0.35486 -0.35293 -0.35159 -0.33753 -0.32968 -0.32531 -0.31435 -0.31166 -0.30970 -0.30883 -0.29943 -0.29216 -0.28695 -0.23591 -0.06961 0.00535 0.01360 0.01576 0.02011 0.02510 0.02794 0.03149 0.03669 0.03764 0.04081 0.04606 0.04855 0.05225 0.05497 0.06072 0.06288 0.06627 0.06884 0.06953 0.07358 0.07872 0.07899 0.08530 0.08843 0.09080 0.09567 0.09775 0.10020 0.10344 0.10605 0.10896 0.10984 0.11711 0.11972 0.12178 0.12402 0.12964 0.13049 0.13325 0.13906 0.14268 0.14474 0.14541 0.15278 0.15657 0.16004 0.16401 0.16699 0.16840 0.17515 0.17679 0.18372 0.18431 0.18690 0.19034 0.19497 0.19626 0.20044 0.20062 0.20244 0.20354 0.20558 0.20810 0.21086 0.21324 0.21657 0.21823 0.22098 0.22343 0.22480 0.22814 0.23149 0.23267 0.23550 0.23782 0.24051 0.24090 0.24217 0.25012 0.25311 0.25493 0.25912 0.26037 0.26367 0.26508 0.26770 0.27020 0.27228 0.27640 0.27803 0.27997 0.28276 0.28647 0.29079 0.29223 0.29540 0.30146 0.30475 0.30492 0.30846 0.31214 0.31598 0.31990 0.32464 0.33074 0.33218 0.33862 0.34356 0.34760 0.35574 0.35713 0.36561 0.37281 0.38135 0.38421 0.38730 0.39618 0.39875 0.40435 0.41486 0.41737 0.42352 0.42742 0.43303 0.44030 0.45157 0.45278 0.45790 0.46507 0.47718 0.48425 0.48683 0.48849 0.49761 0.50384 0.51362 0.51553 0.52339 0.53135 0.53538 0.54062 0.54281 0.55337 0.55950 0.56876 0.57332 0.57739 0.58806 0.59071 0.59984 0.60799 0.61761 0.62177 0.62985 0.63056 0.63408 0.64009 0.64265 0.65172 0.65369 0.65720 0.66260 0.66648 0.66934 0.67217 0.67793 0.68409 0.68496 0.68926 0.69477 0.69872 0.70590 0.71175 0.71587 0.72143 0.72275 0.72431 0.72826 0.73097 0.73625 0.73964 0.74128 0.74246 0.75589 0.75900 0.76236 0.76709 0.77675 0.78192 0.78484 0.78934 0.79220 0.79733 0.80164 0.81091 0.81629 0.81749 0.82351 0.83800 0.84090 0.86125 0.86237 0.87340 0.89435 0.90550 0.91002 0.91913 0.93103 0.94196 0.95637 0.96098 0.97534 0.98718 0.99972 1.00391 1.01198 1.02524 1.02923 1.03620 1.04428 1.06037 1.07059 1.07930 1.09062 1.09573 1.10631 1.11343 1.11940 1.12095 1.13734 1.16239 1.16872 1.18547 1.18959 1.19187 1.19667 1.21153 1.22949 1.23624 1.25650 1.25799 1.26929 1.27196 1.28123 1.32011 1.32997 1.34463 1.35073 1.40146 1.41607 1.42936 1.44837 1.44917 1.46370 1.46476 1.46818 1.47686 1.48277 1.48883 1.49561 1.49972 1.50351 1.51367 1.53096 1.53363 1.53767 1.54021 1.54234 1.55206 1.56417 1.56781 1.57067 1.57564 1.58607 1.58662 1.59252 1.59289 1.60009 1.60642 1.61385 1.61704 1.62398 1.62739 1.63358 1.64151 1.64693 1.65096 1.65638 1.66030 1.66539 1.66729 1.67296 1.68151 1.68898 1.69653 1.70660 1.71164 1.72169 1.73051 1.73858 1.74297 1.74962 1.75578 1.76014 1.76614 1.77112 1.77905 1.78323 1.79148 1.79992 1.80366 1.81251 1.81553 1.82221 1.83361 1.83625 1.85329 1.86199 1.87331 1.88203 1.88438 1.90514 1.92326 1.93154 1.94847 1.95299 1.96434 1.97951 1.99527 2.00343 2.00587 2.01342 2.03390 2.04767 2.05884 2.07113 2.08237 2.08559 2.08652 2.10183 2.11020 2.11457 2.12334 2.13549 2.14164 2.14943 2.15808 2.17391 2.18308 2.19774 2.20667 2.22284 2.22765 2.24087 2.25185 2.25594 2.27719 2.27984 2.31188 2.31478 2.32622 2.34032 2.35132 2.36197 2.37472 2.37857 2.40472 2.41042 2.42337 2.44206 2.45034 2.45649 2.46502 2.46883 2.47425 2.47590 2.48963 2.50504 2.50931 2.51547 2.52025 2.52699 2.53096 2.54440 2.54806 2.55390 2.56196 2.56530 2.56983 2.57484 2.58764 2.59127 2.59455 2.59885 2.60802 2.61691 2.62341 2.63051 2.63266 2.64814 2.65537 2.66160 2.66854 2.66973 2.67748 2.68529 2.68640 2.70508 2.71879 2.73185 2.73478 2.74256 2.75935 2.76663 2.77672 2.78354 2.79727 2.80331 2.81568 2.81824 2.82697 2.82886 2.84489 2.84674 2.86276 2.87501 2.88467 2.88991 2.90687 2.91815 2.92077 2.94351 2.95587 2.96790 2.97490 2.97903 2.98876 3.00384 3.01379 3.02575 3.04323 3.05244 3.06189 3.07468 3.07818 3.09930 3.13659 3.14615 3.16498 3.17502 3.19753 3.21450 3.23664 3.28063 3.29099 3.32564 3.35519 3.36013 3.40098 3.44034 3.49363 3.53682 3.58492 3.61235 3.65702 3.68888 3.78937 3.79967 3.80649 3.80889 3.81531 3.81793 3.82249 3.82461 3.82596 3.83853 3.85317 3.86728 3.87336 3.87762 3.89227 3.95794 4.00913 4.02251 4.05200 4.07709 4.12200 4.14026 4.21759 4.25569 4.27575 4.30159 4.31496 4.34592 4.41145 4.43592 4.51738 4.99807 5.06469 5.23301 5.36751 5.65681 5.86185 23.69474 23.83732 23.84528 23.85199 23.85552 23.87461 23.91041 23.92856 23.94421 23.96443 23.98017 23.98157 23.98317 23.98829 24.00355 24.16599 24.24319 49.90399 50.01557 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 -0.134058 -0.429391 0.260251 -0.422311 -0.006469 -0.479640 0.320139 -0.722100 -0.740436 -0.600963 -0.648383 -0.077637 0.192133 0.588048 -0.761265 -0.415269 -0.025409 0.017752 -0.556957 0.148716 0.151028 0.146356 0.111401 0.142828 0.142607 0.141083 0.130066 0.171389 0.166654 0.146266 0.157060 0.153762 0.150689 0.145809 0.142874 0.143425 0.144656 0.147351 0.169517 0.143370 0.173976 0.172764 0.192736 0.168597 0.177951 0.178317 0.155342 0.156531 0.168844 -0.00000 3.1504 0.6007 -1.7184 3.6385 -112.5189 -121.4778 -126.1453 -12.9023 6.6507 0.8099 7.5284 -1.4305 -6.0979 -12.9023 6.6507 0.8099 -102.1262 -19.0726 -4.3027 13.9660 30.5865 -25.3926 6.2977 3.7336 -0.8744 -16.0095 -6881.0035 -3091.0626 -648.6452 -190.1936 131.6383 -41.0829 -47.5032 17.3672 -9.0733 -1784.2638 -1430.1717 -642.1512 69.1143 27.0631 -23.6010 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 ALCAMI 2024-09-21T00:00:00.000 0 Electronicspectrum Hydroprene CONF286 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.6152282 RMSD=2.763e-09 PG=C01 [X(C17H30O2)] 0 3.700469684 -0.543324306 0.6265852293 0 3.1843938038 -2.0322216623 -0.9889129739 0 -4.2457018083 -0.4554982588 -0.1240516875 0 -3.4142714271 0.5350962787 -0.9646850408 0 -2.6798983257 1.6280762023 -0.1775943758 0 -1.692618536 2.4097383587 -1.0512026217 0 -0.7929828233 3.3978061751 -0.2874015956 0 -3.3956220306 -1.1924460293 0.9473495989 0 -5.4551855365 0.2114447986 0.5403740109 0 0.1885944689 2.6723742459 0.6449603048 0 -0.0263101484 4.2934816102 -1.2683430951 0 -2.1392740299 -1.7803650231 0.3866867223 0 -0.9058672965 -1.3613246085 0.7162543319 0 0.3445681811 -1.8021260215 0.1024763619 0 0.2975528458 -2.9198688476 -0.9020914341 0 1.471833551 -1.1320560396 0.4638759528 0 2.8222600889 -1.3181479549 -0.0600281854 0 5.0943683914 -0.587712742 0.2099274525 0 5.8607310898 0.3670083323 1.0972531213 0 -4.6207791552 -1.2184594759 -0.8178757474 0 -4.0728859475 1.0007559936 -1.7081027122 0 -2.6707626354 -0.0360842905 -1.5327353945 0 -2.1387340902 1.1721097906 0.6533579044 0 -3.399889297 2.3236126703 0.2686401842 0 -1.0454374709 1.6999590296 -1.5851084135 0 -2.252015942 2.9548458624 -1.8219394171 0 -1.4390145514 4.0400621316 0.3265947355 0 -4.0163728777 -1.9903215616 1.3731796225 0 -3.1539640728 -0.504466693 1.7631691885 0 -6.0663080728 -0.5240781339 1.0729477615 0 -5.141485461 0.9692558043 1.2648786108 0 -6.0897921051 0.7015609999 -0.2045775569 0 0.8333635913 1.9971685671 0.0707066367 0 -0.3245536173 2.0757578333 1.4033042345 0 0.83270959 3.3874334333 1.1664581798 0 -0.709635789 4.8542109972 -1.9139712145 0 0.6058912721 5.0138518186 -0.7394900094 0 0.6235833559 3.6901529543 -1.9129161888 0 -2.2696929437 -2.5444116919 -0.3760286721 0 -0.8108652213 -0.5765236739 1.4632343225 0 -0.3639891101 -3.7164929015 -0.554708948 0 1.2804238347 -3.3362988962 -1.100124564 0 -0.1140210457 -2.5505868982 -1.8478304439 0 1.3889427772 -0.349694292 1.2095349969 0 5.1510183134 -0.2998446741 -0.8421067633 0 5.4540394676 -1.6141316064 0.3099334022 0 5.4837249062 1.3872472558 0.9914146413 0 5.7876479746 0.0707387614 2.1466117955 0 6.9154702213 0.3582692068 0.8102127678 Gaussian 16 21-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=Water) 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:3.7005,-.5433,.6266;3.1844,-2.0322,-.9889;-4.2457,-.4555,-.1241;-3.4143,.5351,-.9647;-2.6799,1.6281,-.1776;-1.6926,2.4097,-1.0512;-.793,3.3978,-.2874;-3.3956,-1.1924,.9474;-5.4552,.2114,.5404;.1886,2.6724,.645;-.0263,4.2935,-1.2683;-2.1393,-1.7804,.3867;-.9059,-1.3613,.7163;.3446,-1.8021,.1025;.2976,-2.9199,-.9021;1.4718,-1.1321,.4639;2.8223,-1.3181,-.06;5.0944,-.5877,.2099;5.8607,.367,1.0973;-4.6208,-1.2185,-.8179;-4.0729,1.0008,-1.7081;-2.6708,-.0361,-1.5327;-2.1387,1.1721,.6534;-3.3999,2.3236,.2686;-1.0454,1.7,-1.5851;-2.252,2.9548,-1.8219;-1.439,4.0401,.3266;-4.0164,-1.9903,1.3732;-3.154,-.5045,1.7632;-6.0663,-.5241,1.0729;-5.1415,.9693,1.2649;-6.0898,.7016,-.2046;.8334,1.9972,.0707;-.3246,2.0758,1.4033;.8327,3.3874,1.1665;-.7096,4.8542,-1.914;.6059,5.0139,-.7395;.6236,3.6902,-1.9129;-2.2697,-2.5444,-.376;-.8109,-.5765,1.4632;-.364,-3.7165,-.5547;1.2804,-3.3363,-1.1001;-.114,-2.5506,-1.8478;1.3889,-.3497,1.2095;5.151,-.2998,-.8421;5.454,-1.6141,.3099;5.4837,1.3872,.9914;5.7876,.0707,2.1466;6.9155,.3583,.8102; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Hydroprene CONF286 water 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 1464.8819299598 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 -0.0492550853 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 2.256764 0.000000 7.982030 7.644630 0.000000 7.369849 7.080543 1.542472 0.000000 6.787546 6.960312 2.606893 1.534086 0.000000 6.373457 6.596979 3.948091 2.546735 1.532615 0.000000 6.046404 6.767337 5.176476 3.940174 2.589296 1.539160 0.000000 7.132935 6.910206 1.553586 2.576941 3.119792 4.457596 5.419295 0.000000 9.187118 9.056218 1.532686 2.556420 3.197584 4.639237 5.707385 2.525538 0.000000 4.761756 5.811848 5.480689 4.487712 3.161551 2.546548 1.535918 5.279667 6.157870 0.000000 6.393304 7.099382 6.454880 5.069117 3.916076 2.524326 1.533710 6.808594 7.029023 2.516923 0.000000 5.974147 5.504284 2.540308 2.968701 3.496879 4.452414 5.392620 1.496129 3.871201 5.031159 6.640433 0.000000 4.679263 4.481957 3.561057 3.565678 3.589243 4.238372 4.865120 2.506153 4.816724 4.180150 6.057151 1.343690 0.000000 3.622340 3.051014 4.789081 4.553056 4.581716 4.818808 5.337164 3.882595 6.154946 4.509963 6.258844 2.500144 1.461033 0.000000 4.423196 3.021474 5.226818 5.071325 5.483969 5.691022 6.440507 4.477048 6.706700 5.803311 7.229900 2.982875 2.548789 1.503568 0.000000 2.310822 2.419454 5.787366 5.356697 5.026598 4.985331 5.119908 4.891781 7.056518 4.019102 5.889098 3.669654 2.402024 1.360269 2.537928 0.000000 1.357587 1.226323 7.120699 6.568656 6.242420 5.938324 5.946588 6.300212 8.438972 4.832957 6.408179 5.003001 3.808335 2.529743 3.106240 1.460396 0.000000 1.455516 2.678027 9.346975 8.662411 8.093152 7.525846 7.126893 8.543385 10.584939 5.906271 7.227219 7.333433 6.071052 4.903769 5.448392 3.671996 2.401851 0.000000 2.391017 4.155860 10.213133 9.502921 8.726848 8.114290 7.441432 9.387995 11.330679 6.139415 7.461266 8.313615 6.994223 6.010223 6.763867 4.680895 3.662152 1.512002 0.000000 8.472630 7.849343 1.097353 2.133582 3.504247 4.668232 6.020244 2.148885 2.141425 6.356772 7.189823 2.815062 4.021758 5.083541 5.204986 6.226579 7.482186 9.789704 10.772348 0.000000 8.261962 7.898373 2.158648 1.096942 2.162499 2.842960 4.303720 3.510021 2.754889 5.146982 5.235476 3.982666 4.635401 5.536086 5.926355 6.325369 7.458988 9.499507 10.341586 2.453081 0.000000 6.746300 6.209925 2.154236 1.096236 2.146141 2.677814 4.107130 2.830798 3.480239 4.500448 5.080175 2.647485 3.151043 3.858114 4.186266 4.727443 5.829739 7.977370 8.936762 2.389895 1.752638 0.000000 6.086028 6.426545 2.773587 2.156582 1.091442 2.153200 2.765827 2.693942 3.454634 2.768993 4.230630 2.964493 2.818192 3.913609 5.009911 4.287340 5.596585 7.457304 8.052122 3.746985 3.057254 2.553780 0.000000 7.665673 7.994218 2.931393 2.172577 1.096031 2.159670 2.873854 3.580968 2.959617 3.624978 4.198064 4.294848 4.472054 5.574073 6.521947 5.976073 7.217034 8.979514 9.501263 3.900944 2.471920 3.056918 1.750565 0.000000 5.696275 5.672398 4.125818 2.711679 2.158176 1.098947 2.151851 4.505854 5.116564 2.727936 2.804518 4.146940 3.832389 4.128518 4.859315 4.307586 5.137502 6.793586 7.527748 4.678555 3.109575 2.378712 2.546498 3.060845 0.000000 7.325609 7.424239 4.299774 2.817962 2.155753 1.097316 2.163284 5.116329 4.833950 3.481661 2.655594 5.226180 5.184966 5.751035 6.469830 5.982873 6.863751 8.405211 9.001958 4.902618 2.673386 3.033917 3.052553 2.467102 1.756890 0.000000 6.892875 7.744617 5.318895 4.225379 2.758926 2.149557 1.098563 5.620746 5.552805 2.149660 2.145643 5.862708 5.441604 6.112492 7.277773 5.936555 6.856993 8.007185 8.208016 6.251839 4.507178 4.646427 2.970106 2.606643 3.047227 2.540643 0.000000 7.886752 7.578409 2.156380 3.493690 4.157387 5.535160 6.494590 1.096936 2.758899 6.320822 7.898381 2.130904 3.240746 4.546197 4.964964 5.628842 7.019459 9.291183 10.158264 2.400375 4.294652 3.751540 3.747618 4.495563 5.585347 6.146253 6.641057 0.000000 6.948136 7.076918 2.180801 2.930809 2.922164 4.306833 5.000681 1.094201 2.702476 4.745040 6.480169 2.133592 2.623771 4.084305 4.985053 4.845620 6.300903 8.393717 9.081170 3.053379 3.893564 3.363904 2.252395 3.208135 4.529497 5.062940 5.065327 1.761705 0.000000 9.776991 9.596940 2.179935 3.508147 4.202784 5.678772 6.711161 2.755913 1.094577 7.037349 8.072924 4.179809 5.240073 6.608673 7.080912 7.587106 8.995600 11.194175 11.960305 2.479301 3.746077 4.307836 4.298715 3.983220 6.100881 5.918793 6.542191 2.538157 2.993082 0.000000 8.993080 9.132837 2.182082 2.853545 2.928171 4.397034 5.216982 2.796751 1.094346 5.629801 6.605506 4.164722 4.865496 6.255279 7.028811 6.985206 8.390997 10.407198 11.019962 3.065143 3.159354 3.865466 3.071095 2.420729 5.043210 4.671193 4.900869 3.168076 2.523964 1.766969 0.000000 9.904029 9.700478 2.178518 2.786375 3.533629 4.792680 5.944139 3.488947 1.094483 6.635055 7.127363 4.702780 5.654777 6.911130 7.375599 7.809428 9.139190 11.265855 12.025876 2.494116 2.533380 3.741375 4.070421 3.176565 5.324301 4.735153 5.749562 3.746280 3.734383 1.770541 1.769251 0.000000 3.870840 4.783944 5.643617 4.609999 3.541312 2.794545 2.176012 5.369028 6.554025 1.096083 2.793769 4.817279 3.836813 3.830740 5.040901 3.217806 3.868349 4.985695 5.383832 6.393553 5.313030 4.357068 3.139040 4.250432 2.521894 3.744172 3.066365 6.412212 5.002139 7.413949 6.179116 7.048721 0.000000 4.864535 5.908546 4.910751 4.186570 2.871813 2.829797 2.196753 4.507828 5.526635 1.092867 3.484960 4.381370 3.552956 4.144618 5.536980 3.794681 4.854109 6.154912 6.424270 5.851757 4.988635 4.311021 2.161076 3.287337 3.097016 3.858770 2.501963 5.492125 3.846118 6.311579 4.944324 6.140983 1.767135 0.000000 4.895546 6.288776 6.497984 5.542062 4.152136 3.500170 2.180984 6.237154 7.072235 1.094602 2.736256 6.012227 5.077011 5.319950 6.659381 4.618212 5.254053 5.905800 5.865898 7.408939 6.166376 5.592892 3.741712 4.455635 3.734451 4.316617 2.508391 7.244072 5.603260 7.931274 6.445795 7.550807 1.770172 1.765176 0.000000 7.418682 7.965058 6.625752 5.183720 4.159914 2.772376 2.184901 7.208588 7.078088 3.480713 1.094617 7.166205 6.751998 7.034503 7.904091 6.800615 7.349109 8.234801 8.507184 7.305874 5.118882 5.282646 4.710772 4.290126 3.189078 2.448468 2.492984 8.281757 6.943452 8.157305 6.696212 7.008039 3.805586 4.344238 3.744237 0.000000 6.505750 7.507199 7.336928 6.022597 4.751380 3.487366 2.184682 7.574673 7.838228 2.751973 1.094668 7.413878 6.711742 6.872754 7.941375 6.322193 6.743010 7.240535 7.251215 8.134244 6.239720 6.071866 4.922598 4.929502 3.797873 3.684947 2.503286 8.653736 7.131035 8.858433 7.308118 7.982115 3.131859 3.753624 2.515814 1.770735 0.000000 5.817098 6.336963 6.640512 5.211314 4.263390 2.783308 2.175873 6.940814 7.421016 2.787081 1.096285 6.545848 5.896540 5.857029 6.694808 5.442644 5.774985 6.541752 6.894355 7.266149 5.415868 4.988196 4.533950 4.776500 2.618007 2.969516 3.064662 8.037127 6.736342 8.451614 7.123039 7.544502 2.616288 3.808222 3.101277 1.769889 1.769017 0.000000 6.375926 5.512262 2.886462 3.337656 4.197297 5.033138 6.123600 2.201558 4.310673 5.856659 7.251605 1.087433 2.110165 2.759405 2.647350 4.086467 5.247053 7.642082 8.760749 2.735139 4.194537 2.791153 3.858668 5.038909 4.579886 5.686194 6.673755 2.533305 3.085365 4.538234 4.825518 5.015864 5.518558 5.319357 6.869567 7.716130 8.094964 7.042930 0.000000 4.588380 4.908582 3.785793 3.729372 3.323532 4.002205 4.342850 2.706744 4.800237 3.496259 5.638616 2.091138 1.087620 2.165361 3.509220 2.553047 4.008732 6.036778 6.747918 4.486757 4.815181 3.567510 2.340268 4.067049 3.811796 5.033871 4.795767 3.504599 2.363317 5.270176 4.602505 5.681740 3.356563 2.697163 4.301438 6.395987 6.173451 5.626772 3.063274 0.000000 5.290017 3.951749 5.087951 5.248649 5.836957 6.288280 7.132232 4.221112 6.522897 6.523970 8.048788 2.790422 2.730531 2.144469 1.092210 3.329726 4.018576 6.337791 7.625687 4.942640 6.110538 4.452319 5.339249 6.810101 5.555542 7.048211 7.880135 4.476196 4.844959 6.734777 6.934812 7.240622 5.871178 6.114372 7.406772 8.684701 8.785996 7.594632 2.244417 3.759149 0.000000 4.079075 2.310430 6.307915 6.086560 6.417183 6.469800 7.092792 5.536575 7.787564 6.351501 7.742700 4.040529 3.461159 2.162351 1.085664 2.709506 2.744448 4.880280 6.286666 6.276074 6.916474 5.166279 5.923773 7.470840 5.568549 7.251045 7.990092 5.998745 5.990119 8.161207 8.085293 8.451414 5.478739 6.175230 7.109601 8.468007 8.385110 7.103738 3.708737 4.308208 1.773730 0.000000 4.970128 3.447605 4.942833 4.603590 5.180216 5.266062 6.187027 4.519567 6.469960 5.795248 6.869117 3.112549 2.935285 2.138737 1.095529 3.141839 3.651971 5.934186 7.272107 4.811054 5.320166 3.599852 4.920760 6.247736 4.359323 5.906055 7.065436 5.090889 5.144626 6.933066 6.881399 6.999042 5.025973 5.658380 6.726241 7.429008 7.679025 6.284515 2.610203 3.917355 1.758972 1.766602 0.000000 2.391752 3.299654 5.791275 5.346116 4.731931 4.713960 4.587524 4.865288 6.899619 3.300376 5.449945 3.895152 2.555949 2.103772 3.500842 1.083959 2.145715 3.845263 4.530250 6.401711 6.337815 4.909135 3.881974 5.564599 4.235247 5.776366 5.295931 5.651183 4.579134 7.458541 6.662521 7.683510 2.667089 2.975976 3.778541 6.421912 5.760164 5.162930 4.551529 2.225976 4.185769 3.777051 4.055898 0.000000 2.078564 2.624937 9.425401 8.606761 8.092077 7.363486 7.022213 8.777468 10.708138 5.972529 6.934339 7.539910 6.343587 5.123578 5.515818 3.991813 2.659267 1.092178 2.170139 9.814910 9.355315 7.856640 7.585747 9.013008 6.553421 8.146042 7.976791 9.581559 8.706438 11.381833 10.582327 11.303321 4.975102 6.377088 6.023134 7.877846 6.993145 6.128979 7.766741 6.398063 6.493950 4.926269 5.813601 4.285432 0.000000 2.078919 2.648224 9.778331 9.213619 8.769865 8.313780 8.031290 8.882602 11.063319 6.797888 8.211278 7.595521 6.377885 5.117136 5.455576 4.014232 2.674087 1.092200 2.170296 10.145466 10.083274 8.479273 8.095140 9.690180 7.537744 9.208894 8.915401 9.537333 8.800055 11.596931 10.947646 11.785041 5.869358 6.942830 6.863379 9.207394 8.278647 7.510646 7.809738 6.454128 6.246358 4.730031 6.044517 4.351218 1.773801 0.000000 2.653339 4.571804 9.965025 9.150236 8.250414 7.531114 6.713775 9.246597 11.011163 5.459852 6.626703 8.277051 6.961124 6.113366 7.002356 4.766598 3.938031 2.159349 1.092805 10.590762 9.938087 8.654067 7.632984 8.962019 7.026110 8.379380 7.443368 10.089875 8.876027 11.707394 10.636945 11.655336 4.779704 5.863429 5.065899 7.669343 6.319933 6.112241 8.800189 6.610664 7.914191 6.659892 7.409630 4.453289 2.513717 3.077917 0.000000 2.654029 4.585945 10.300531 9.724768 8.917767 8.464710 7.765211 9.346995 11.357865 6.353964 7.955852 8.328266 6.992845 6.108456 6.955535 4.785872 3.948644 2.159847 1.092827 10.898879 10.627977 9.224626 8.140661 9.644328 7.954317 9.418262 8.443497 10.048134 8.968295 11.917333 11.001397 12.124340 5.706614 6.475463 6.042564 9.032421 7.721046 7.499833 8.838748 6.665308 7.712516 6.516462 7.593195 4.517022 3.078160 2.514651 1.777651 0.000000 3.344072 4.782492 11.229730 10.482609 9.729300 9.042820 8.358456 10.427950 12.374469 7.115704 8.245884 9.313513 8.008692 6.953053 7.581227 5.654573 4.508000 2.138138 1.093135 11.756777 11.291531 9.876274 9.092060 10.514871 8.421030 9.885001 9.142587 11.195446 10.151155 13.014382 12.080985 13.049310 6.342309 7.464548 6.804610 9.261583 7.992923 7.622645 9.705666 7.810028 8.453238 7.003783 8.058560 5.585980 2.505307 2.505279 1.772435 1.772179 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:-3.8667,-.1085,-.4818;-3.5184,-1.524,1.241;4.025,-1.1818,.0493;3.3859,-.0109,.8237;2.7947,1.1149,-.0344;1.9714,2.1067,.7948;1.202,3.1565,-.0268;3.0323,-1.8634,-.9324;5.2944,-.7642,-.7014;.0866,2.5177,-.8675;.6181,4.2353,.8938;1.7245,-2.2043,-.2907;.5565,-1.6287,-.6223;-.7212,-1.8214,.0596;-.8041,-2.8485,1.1545;-1.7477,-1.0175,-.328;-3.0893,-.9512,.2453;-5.234,.0953,-.0263;-5.8817,1.0818,-.9716;4.3075,-1.935,.7957;4.1358,.4065,1.507;2.5876,-.4135,1.4579;2.1589,.6821,-.8088;3.5933,1.6534,-.5573;1.246,1.5501,1.4043;2.6363,2.6197,1.5011;1.913,3.6403,-.7103;3.5085,-2.7788,-1.3046;2.8655,-1.2144,-1.7975;5.7663,-1.6253,-1.1849;5.0705,-.0281,-1.4795;6.0242,-.319,-.018;-.6297,1.998,-.2209;.4739,1.7902,-1.5853;-.4622,3.2788,-1.4312;1.4028,4.7346,1.4709;.0816,4.9993,.322;-.0897,3.7928,1.6045;1.7679,-2.9154,.5309;.5519,-.9014,-1.4309;-.2843,-3.7627,.8593;-1.83,-3.0918,1.4133;-.3049,-2.4719,2.0541;-1.577,-.3198,-1.1398;-5.2055,.4723,.9984;-5.748,-.8683,-.0286;-5.3512,2.0372,-.9634;-5.8951,.6943,-1.9933;-6.9136,1.2583,-.6572; 0.4301220 0.1766774 0.1360267 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= 1.09D-06 NBF= 1011 NBsUse= 1010 1.00D-06 EigRej= 2.93D-07 NBFU= 1010 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= 1099 1095 1099 1099 1099 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -816.622698086868 -816.666594945800 -0.043896858933 -816.666635680166 -0.000040734365 -816.666750510622 -0.000114830456 -816.666757371076 -0.000006860454 -816.666759868166 -0.000002497090 -816.666759969590 -0.000000101424 -816.666759985808 -0.000000016218 -816.666759986485 -0.000000000678 -816.666759986671 -0.000000000186 -816.666759986746 -0.000000000075 -816.666759987 11 8.126015130206e+02 -4.827719152557e+03 1.733604006756e+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. PT22538.800S 2024-09-21T05:53:45.000 -19.16699 -19.11344 -10.30437 -10.22043 -10.20715 -10.17802 -10.17420 -10.16911 -10.16654 -10.16139 -10.16110 -10.15880 -10.15727 -10.14990 -10.14893 -10.14714 -10.14659 -10.14511 -10.14391 -1.10195 -1.01591 -0.83851 -0.81543 -0.79859 -0.77877 -0.75845 -0.73398 -0.71096 -0.68115 -0.67335 -0.66480 -0.64656 -0.60443 -0.59550 -0.56243 -0.54922 -0.53573 -0.53247 -0.50437 -0.49144 -0.47935 -0.47087 -0.46546 -0.45474 -0.44227 -0.43217 -0.43055 -0.42411 -0.41397 -0.41255 -0.40656 -0.39939 -0.39281 -0.38751 -0.37713 -0.37529 -0.37259 -0.36681 -0.36111 -0.35747 -0.35415 -0.35246 -0.35122 -0.33720 -0.32923 -0.32501 -0.31420 -0.31113 -0.30940 -0.30861 -0.29915 -0.29180 -0.28582 -0.23566 -0.06915 0.00411 0.01173 0.01406 0.01900 0.02376 0.02768 0.03024 0.03525 0.03609 0.03939 0.04467 0.04719 0.05105 0.05307 0.05915 0.06066 0.06509 0.06710 0.06834 0.07169 0.07719 0.07752 0.08336 0.08702 0.08886 0.09356 0.09589 0.09802 0.10128 0.10377 0.10646 0.10742 0.11490 0.11723 0.11990 0.12136 0.12692 0.12836 0.13115 0.13566 0.13969 0.14231 0.14273 0.14994 0.15339 0.15659 0.16078 0.16363 0.16564 0.17150 0.17232 0.17827 0.17952 0.18043 0.18427 0.18794 0.18966 0.19245 0.19571 0.19668 0.19925 0.20118 0.20166 0.20481 0.20729 0.20968 0.21224 0.21296 0.21636 0.21852 0.22228 0.22411 0.22612 0.22665 0.23081 0.23270 0.23598 0.23674 0.24134 0.24408 0.24756 0.24999 0.25180 0.25483 0.25651 0.25894 0.26169 0.26444 0.26820 0.26943 0.27144 0.27361 0.27679 0.27995 0.28199 0.28553 0.28833 0.29267 0.29385 0.29496 0.29872 0.30244 0.30550 0.30873 0.31451 0.31970 0.32393 0.32522 0.32991 0.33301 0.33935 0.34164 0.34349 0.34460 0.34668 0.35337 0.36007 0.36116 0.36482 0.36731 0.37535 0.37736 0.38011 0.38447 0.38593 0.39094 0.39823 0.39831 0.40100 0.40307 0.40511 0.40731 0.41562 0.41864 0.41974 0.42465 0.42845 0.43156 0.43592 0.43963 0.44388 0.44421 0.44977 0.46065 0.46524 0.46804 0.47009 0.47109 0.47495 0.47729 0.48287 0.48522 0.49556 0.49678 0.50692 0.50815 0.51666 0.51841 0.52239 0.52620 0.53320 0.53482 0.53823 0.54525 0.54893 0.55185 0.55459 0.55754 0.56263 0.56771 0.56842 0.57282 0.57595 0.58002 0.58290 0.59163 0.59415 0.59681 0.60035 0.60360 0.60565 0.60988 0.61273 0.61434 0.61544 0.61805 0.62495 0.62885 0.63041 0.63664 0.63943 0.64553 0.64844 0.65219 0.65360 0.65846 0.66093 0.66273 0.66416 0.67264 0.67569 0.67974 0.68256 0.68324 0.68792 0.69175 0.69351 0.69721 0.69912 0.70632 0.70971 0.71286 0.72051 0.72311 0.72822 0.73076 0.73438 0.74072 0.74453 0.75110 0.75382 0.75532 0.75788 0.76490 0.76915 0.77682 0.77977 0.78175 0.78397 0.78718 0.79910 0.79977 0.80522 0.81190 0.81521 0.82097 0.82888 0.83042 0.83753 0.84109 0.84976 0.85699 0.86136 0.86669 0.87142 0.87685 0.87852 0.88459 0.88770 0.90049 0.90607 0.91661 0.91733 0.92682 0.92916 0.93674 0.94595 0.94968 0.95489 0.95916 0.96995 0.97058 0.98483 0.99348 1.00055 1.00529 1.00863 1.01345 1.01790 1.02625 1.02823 1.03595 1.04011 1.04345 1.04860 1.05140 1.05713 1.06227 1.07020 1.07488 1.08216 1.08551 1.08923 1.09464 1.09762 1.09946 1.10457 1.10812 1.11419 1.11971 1.12370 1.12926 1.13148 1.13257 1.13519 1.13722 1.14218 1.14569 1.14930 1.15080 1.15941 1.16835 1.17188 1.17439 1.17849 1.17950 1.19471 1.19756 1.20596 1.20884 1.21314 1.21582 1.22160 1.22289 1.22670 1.22909 1.23243 1.23480 1.24407 1.24594 1.24793 1.25334 1.25531 1.26159 1.26177 1.27441 1.27823 1.28365 1.28921 1.29441 1.29890 1.30503 1.31088 1.31399 1.31887 1.32464 1.32867 1.33367 1.34092 1.34830 1.35023 1.35384 1.35667 1.36050 1.37192 1.37353 1.37687 1.38007 1.38649 1.39355 1.39506 1.40510 1.40889 1.41286 1.41619 1.42036 1.42582 1.42795 1.43611 1.43956 1.44532 1.45226 1.45477 1.45583 1.46151 1.46228 1.47079 1.47694 1.48221 1.48639 1.49252 1.49550 1.50211 1.50583 1.50899 1.51441 1.51885 1.52519 1.52637 1.53492 1.54138 1.54933 1.55548 1.56094 1.56900 1.57026 1.58134 1.58617 1.59083 1.59566 1.59948 1.60396 1.60838 1.61152 1.61967 1.63005 1.63524 1.64326 1.64672 1.65272 1.66027 1.66493 1.66626 1.67489 1.68576 1.69309 1.70117 1.70521 1.71096 1.72372 1.72580 1.74241 1.74579 1.75541 1.76212 1.76746 1.77663 1.78230 1.78711 1.78916 1.79864 1.82174 1.82576 1.84345 1.84904 1.86984 1.87264 1.88145 1.88875 1.89182 1.91252 1.92099 1.93069 1.93352 1.94708 1.95805 1.96257 1.96985 1.97249 1.97915 1.99226 1.99447 2.00565 2.01290 2.02451 2.03323 2.04547 2.05228 2.06411 2.06662 2.07152 2.07759 2.08805 2.09280 2.10398 2.10928 2.11874 2.12616 2.13338 2.13694 2.14982 2.15780 2.16100 2.16827 2.17286 2.18008 2.18496 2.20420 2.21759 2.22374 2.22682 2.23220 2.24745 2.25371 2.26094 2.27385 2.28820 2.29125 2.30711 2.31142 2.33281 2.33924 2.35822 2.36047 2.38001 2.38796 2.40898 2.42115 2.43023 2.44459 2.45350 2.46808 2.47346 2.49163 2.52890 2.53909 2.54364 2.58339 2.59918 2.62246 2.64562 2.69438 2.71264 2.72228 2.74466 2.75408 2.76813 2.77185 2.77987 2.78302 2.80310 2.80733 2.81826 2.81997 2.82669 2.83009 2.83904 2.84594 2.84814 2.85952 2.86923 2.87531 2.87774 2.89133 2.89368 2.90326 2.90557 2.91245 2.92079 2.92210 2.93397 2.94117 2.95408 2.95691 2.96448 2.96990 2.97306 2.97809 2.99438 2.99972 3.01324 3.01727 3.02129 3.03056 3.03822 3.04579 3.05631 3.06408 3.06814 3.07767 3.08818 3.09399 3.09559 3.10044 3.10727 3.11334 3.12694 3.12817 3.13137 3.14512 3.14684 3.16255 3.16771 3.17383 3.18083 3.18653 3.18930 3.19851 3.19941 3.21115 3.21541 3.21703 3.22507 3.23002 3.24326 3.24700 3.25313 3.26359 3.26603 3.27019 3.27845 3.28687 3.29747 3.29951 3.30466 3.30716 3.31088 3.31664 3.32178 3.33014 3.33685 3.33994 3.34730 3.36083 3.36712 3.37188 3.38234 3.38881 3.39819 3.40049 3.40959 3.41483 3.41831 3.43486 3.44384 3.44564 3.45402 3.46074 3.46593 3.47993 3.50269 3.52098 3.52791 3.53729 3.54194 3.54447 3.55150 3.55783 3.56537 3.57865 3.58064 3.60090 3.61225 3.63135 3.63611 3.64250 3.65463 3.66719 3.67730 3.69071 3.70959 3.71351 3.71980 3.72504 3.74026 3.75432 3.75708 3.77734 3.78946 3.79498 3.80565 3.81731 3.81904 3.82235 3.84492 3.84963 3.86384 3.86895 3.88952 3.89117 3.89400 3.90011 3.90893 3.93474 3.94529 3.94693 3.95752 3.96103 3.96854 3.97561 3.98008 3.99802 4.00514 4.01328 4.02666 4.04662 4.06004 4.07029 4.09183 4.11895 4.13256 4.13904 4.14902 4.16987 4.18636 4.20083 4.21302 4.23297 4.24763 4.25066 4.27332 4.28699 4.29321 4.29797 4.30400 4.30938 4.31710 4.32008 4.32340 4.33484 4.33595 4.34847 4.35194 4.35902 4.36016 4.36270 4.36851 4.37561 4.37803 4.38598 4.39553 4.39956 4.40284 4.41088 4.41319 4.43118 4.43464 4.44810 4.45491 4.47200 4.47720 4.49032 4.49252 4.49847 4.51032 4.52584 4.52823 4.53613 4.53828 4.55545 4.55771 4.57249 4.57859 4.58619 4.58942 4.60336 4.60572 4.61152 4.61756 4.62132 4.62427 4.62999 4.63759 4.64826 4.64961 4.65472 4.66371 4.66831 4.68147 4.69607 4.70557 4.70762 4.72337 4.73625 4.74393 4.75628 4.76171 4.76966 4.77664 4.78361 4.81116 4.81721 4.82198 4.82594 4.83496 4.84649 4.89589 4.91604 4.91848 4.94800 4.94922 4.95724 4.98147 5.01394 5.07872 5.12116 5.14076 5.16829 5.20514 5.21388 5.24686 5.27405 5.32975 5.35391 5.36965 5.40294 5.41408 5.45888 5.48880 5.49293 5.50063 5.51483 5.54158 5.55153 5.56192 5.58098 5.61189 5.61748 5.63512 5.66035 5.68608 5.70306 5.71866 5.74600 5.75815 5.78709 5.79254 5.79723 5.81173 5.81331 5.81983 5.83074 5.83663 5.84368 5.85130 5.85691 5.86929 5.88526 5.89375 5.90765 5.94079 5.95587 5.97394 6.03729 6.10028 6.19346 6.31260 6.35702 6.55023 6.97939 7.04883 7.12368 7.15963 7.18075 7.18681 7.19770 7.20585 7.21405 7.22640 7.22925 7.23143 7.26014 7.27440 7.28452 7.30922 7.32098 7.32454 7.33657 7.34283 7.35335 7.36254 7.37851 7.39442 7.41631 7.42825 7.43314 7.44287 7.46818 7.49986 7.51816 7.51931 7.53492 7.54631 7.58737 7.59875 7.64168 7.65168 7.67124 7.68988 7.70090 7.74901 7.76091 7.77421 7.77935 7.79275 7.80028 7.81286 7.84131 7.84761 7.89060 7.90292 7.92768 7.93642 7.97953 7.99494 7.99990 8.01020 8.03071 8.04919 8.08709 8.09607 8.10860 8.11707 8.15351 8.17908 8.20573 8.22781 8.24447 8.29395 8.29895 8.30752 8.31912 8.35590 8.36863 8.41201 8.42565 8.44571 8.48268 8.53766 8.58146 8.67404 8.69361 8.71088 8.75391 8.81761 8.87312 14.38894 14.42095 14.45329 14.49220 14.51700 14.66992 14.77873 14.95286 15.06111 15.21789 24.23698 24.25792 24.28136 24.34041 24.39195 24.41906 24.44487 24.48441 24.51491 24.52211 24.54158 24.54909 24.55523 24.64273 25.07979 25.62454 25.73879 50.22018 50.46016 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 -0.573312 -0.825481 -0.197620 -0.141752 -0.389405 -0.473061 0.189136 -0.243570 -0.506004 -0.687336 -0.470725 -0.146603 -0.102472 0.666736 -0.647497 -0.425119 0.521220 0.242701 -0.545697 0.121986 0.147035 0.171181 0.179091 0.141651 0.173290 0.135491 0.119291 0.152769 0.160488 0.147352 0.174230 0.148493 0.200708 0.169698 0.152136 0.149681 0.144428 0.155900 0.152580 0.148085 0.175129 0.174159 0.184738 0.165736 0.166789 0.166254 0.158619 0.158970 0.159904 -0.00000 3.1665 0.6241 -1.7903 3.6908 -112.6594 -121.3211 -125.8879 -12.9047 6.8897 0.8224 7.2967 -1.3649 -5.9318 -12.9047 6.8897 0.8224 -100.2024 -19.4518 -4.4206 13.9746 30.7255 -26.1727 5.7996 3.4822 -1.3621 -16.1230 -6895.8447 -3090.2694 -648.1369 -190.0189 137.5345 -39.8029 -48.0400 17.2052 -9.0192 -1781.0278 -1427.0567 -641.7227 67.8028 26.5409 -23.0165 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON27 ALCAMI 2024-09-21T00:00:00.000 0 Single Point Hydroprene CONF286 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-816.66676 RMSD=3.172e-09 Dipole=-1.211427,0.4899783,0.6331199 Quadrupole=7.9156076,-3.9786771,-3.9369305,8.6205482,4.5711173,-1.1896473 PG=C01 [X(C17H30O2)] 0 3.700469684 -0.543324306 0.6265852293 0 3.1843938038 -2.0322216623 -0.9889129739 0 -4.2457018083 -0.4554982588 -0.1240516875 0 -3.4142714271 0.5350962787 -0.9646850408 0 -2.6798983257 1.6280762023 -0.1775943758 0 -1.692618536 2.4097383587 -1.0512026217 0 -0.7929828233 3.3978061751 -0.2874015956 0 -3.3956220306 -1.1924460293 0.9473495989 0 -5.4551855365 0.2114447986 0.5403740109 0 0.1885944689 2.6723742459 0.6449603048 0 -0.0263101484 4.2934816102 -1.2683430951 0 -2.1392740299 -1.7803650231 0.3866867223 0 -0.9058672965 -1.3613246085 0.7162543319 0 0.3445681811 -1.8021260215 0.1024763619 0 0.2975528458 -2.9198688476 -0.9020914341 0 1.471833551 -1.1320560396 0.4638759528 0 2.8222600889 -1.3181479549 -0.0600281854 0 5.0943683914 -0.587712742 0.2099274525 0 5.8607310898 0.3670083323 1.0972531213 0 -4.6207791552 -1.2184594759 -0.8178757474 0 -4.0728859475 1.0007559936 -1.7081027122 0 -2.6707626354 -0.0360842905 -1.5327353945 0 -2.1387340902 1.1721097906 0.6533579044 0 -3.399889297 2.3236126703 0.2686401842 0 -1.0454374709 1.6999590296 -1.5851084135 0 -2.252015942 2.9548458624 -1.8219394171 0 -1.4390145514 4.0400621316 0.3265947355 0 -4.0163728777 -1.9903215616 1.3731796225 0 -3.1539640728 -0.504466693 1.7631691885 0 -6.0663080728 -0.5240781339 1.0729477615 0 -5.141485461 0.9692558043 1.2648786108 0 -6.0897921051 0.7015609999 -0.2045775569 0 0.8333635913 1.9971685671 0.0707066367 0 -0.3245536173 2.0757578333 1.4033042345 0 0.83270959 3.3874334333 1.1664581798 0 -0.709635789 4.8542109972 -1.9139712145 0 0.6058912721 5.0138518186 -0.7394900094 0 0.6235833559 3.6901529543 -1.9129161888 0 -2.2696929437 -2.5444116919 -0.3760286721 0 -0.8108652213 -0.5765236739 1.4632343225 0 -0.3639891101 -3.7164929015 -0.554708948 0 1.2804238347 -3.3362988962 -1.100124564 0 -0.1140210457 -2.5505868982 -1.8478304439 0 1.3889427772 -0.349694292 1.2095349969 0 5.1510183134 -0.2998446741 -0.8421067633 0 5.4540394676 -1.6141316064 0.3099334022 0 5.4837249062 1.3872472558 0.9914146413 0 5.7876479746 0.0707387614 2.1466117955 0 6.9154702213 0.3582692068 0.8102127678