Gaussian 16 GINC-GARGANTILLA APULGAR Optimization isopyrazam_anti CONF24 gas EM64L-G16RevC.01 22-Jul-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 49 49 95 95 710 (5D, 7F) 6-311+G(d,p) 141 141 C1[X(C20H23F2N3O)] C1[X(C20H23F2N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 336.23030639999973 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9701,1.5709,-2.0763;-3.4731,2.4364,-.1431;-.7153,-.7152,1.5486;-.6772,.7504,-.1826;-4.5033,-1.7187,.2733;-4.8249,-.6138,-.3799;3.4449,-.7913,-.6088;2.0746,-.8456,.1102;4.0363,.2276,.3939;2.4926,-1.2431,1.5477;3.8418,-.5101,1.7408;1.7548,.623,.1591;2.9726,1.2884,.3359;4.1918,-2.1101,-.7896;.5807,1.3453,.0607;3.0408,2.6624,.4184;5.5808,-1.8647,-1.3719;3.3993,-3.0575,-1.6858;.6467,2.7397,.1333;1.8569,3.3883,.3053;-1.2685,-.1717,.6156;-2.6678,-.5266,.2764;-3.7327,.1216,-.3918;-3.2299,-1.7118,.692;-3.8304,1.464,-1.0171;-5.4778,-2.7698,.4242;3.3359,-.3268,-1.5966;1.3076,-1.4797,-.3294;5.0513,.5795,.2095;2.6095,-2.3256,1.6273;1.7354,-.9492,2.2694;3.8266,.1857,2.5795;4.6605,-1.2097,1.9211;4.3198,-2.6001,.1809;3.9883,3.1703,.5483;5.5179,-1.3586,-2.3382;6.1958,-1.2473,-.7162;6.1142,-2.8037,-1.5278;2.4278,-3.3067,-1.258;3.2237,-2.6131,-2.6683;3.9369,-3.9943,-1.8406;-.2694,3.3128,.0559;1.8777,4.4692,.3517;-1.2098,1.141,-.9409;-2.7934,-2.5222,1.2523;-4.8413,1.6572,-1.3805;-5.1346,-3.4696,1.1817;-6.4268,-2.343,.7391;-5.6211,-3.3028,-.5148; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4016915/Gau-730.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4016915/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/gas/CO #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization isopyrazam_anti CONF24 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3687 1.3554 1.2133 1.4126 1.3554 1.0056 1.3232 1.3405 1.4413 1.3167 1.5485 1.547 1.5264 1.097 1.5489 1.5037 1.0879 1.548 1.5035 1.0899 1.5475 1.0917 1.0866 1.0899 1.0919 1.399 1.382 1.3781 1.526 1.5261 1.0947 1.3978 1.3933 1.0829 1.0926 1.0905 1.0911 1.0904 1.0925 1.0911 1.3838 1.0834 1.0821 1.4829 1.4144 1.376 1.4841 1.0775 1.0915 1.0869 1.0871 1.0892 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9971 115.9748 118.5074 112.3837 119.7539 127.8333 105.614 93.4668 117.2436 110.1819 117.308 110.0433 107.9257 101.5978 99.7329 117.1685 106.1362 114.5626 115.6255 101.656 99.7432 117.3263 106.3139 114.712 115.1195 103.27 110.5551 111.0331 111.5447 113.3638 107.1187 103.1039 111.5389 110.78 112.7246 111.765 107.0018 106.4713 133.535 119.9926 106.5669 131.7725 121.6598 110.5873 110.6003 109.8093 110.3961 107.6923 107.6644 123.2747 118.1049 118.528 118.1978 121.2027 120.589 111.0701 112.0191 111.1611 107.5805 107.4852 107.3053 111.977 111.0363 111.1259 107.6159 107.365 107.5086 121.0215 118.9543 120.0238 120.5942 120.0404 119.3654 123.9688 119.9332 116.0873 135.141 121.4973 103.2894 111.3669 117.0224 131.5353 107.343 122.9093 129.7473 106.1 110.8139 108.097 111.0955 109.3747 111.1866 109.2127 109.529 110.8275 109.063 109.0978 109.0841 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 46 60.0835 -123.4675 -128.3519 48.0972 -9.3615 171.829 179.2696 0.46 0.3943 -177.793 -0.5827 179.1977 177.4247 -2.7949 -165.9081 -46.5289 73.8752 16.2142 135.5934 -104.0025 -0.0532 -177.2612 -55.9288 52.9193 178.4581 67.3117 176.1598 -58.3014 -168.7643 -59.9163 65.6225 56.1768 -52.8757 -177.8738 -67.0131 -176.0655 58.9364 169.1325 60.08 -64.9181 -173.7704 63.6206 -55.0616 -63.7476 173.6434 54.9612 61.1715 -61.4376 179.8802 35.4852 -83.9467 157.3028 -68.3443 172.2237 53.4732 162.8079 43.376 -75.3745 -34.7819 144.8215 70.405 -109.9917 -161.3723 18.231 -35.9751 -157.1922 83.7299 67.9365 -53.2807 -172.3586 -163.6304 75.1524 -43.9254 34.7429 -144.9328 -70.5556 109.7686 161.2508 -18.4249 0.2593 120.6679 -118.7641 119.0067 -120.5847 -0.0167 -119.977 0.4316 120.9996 0.0485 179.7644 -179.6195 0.0964 -2.72 -179.1549 176.8408 0.4059 178.8991 0.0722 -0.7358 -179.5627 -58.9894 61.3394 -178.6199 63.7386 -175.9325 -55.8918 -178.9764 -58.6475 61.3932 -61.3134 59.0085 178.6228 175.9662 -63.7119 55.9023 58.6639 178.9858 -61.4 -176.8812 3.3137 -0.26 179.9349 0.8779 -179.1381 179.7123 -0.3037 -0.3919 179.6239 179.4111 -0.5731 155.9422 -20.3975 -25.197 158.4632 -177.0751 -0.3985 -0.2815 176.3952 177.8459 -1.9144 0.4979 -179.2624 -119.5389 122.7743 0.7094 63.9355 -53.7513 -175.8162 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 736 A 710 A 1120 736 2396.9525031680 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= 710 RedAO= T EigKep= 1.06D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.40D-07 NBFU= 706 Berny optimization. local minimum Step number 37 out of a maximum of 294 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00020 0.00304 0.00391 0.00420 0.00423 0.00455 0.00586 0.00853 0.01223 0.01432 0.01604 0.01650 0.01707 0.01832 0.01972 0.01987 0.02078 0.02193 0.02242 0.02253 0.02293 0.02362 0.02398 0.02439 0.02520 0.03000 0.03510 0.03800 0.04236 0.04370 0.04467 0.04530 0.04733 0.04822 0.04887 0.05082 0.05162 0.05213 0.05477 0.05481 0.05533 0.05593 0.05595 0.05667 0.06758 0.06781 0.06940 0.07373 0.07758 0.07830 0.08127 0.08976 0.09360 0.10697 0.11570 0.11618 0.12828 0.14908 0.15207 0.15640 0.15973 0.15983 0.15996 0.16000 0.16001 0.16002 0.16009 0.16015 0.16030 0.16044 0.16226 0.16460 0.16810 0.16880 0.18133 0.19239 0.22116 0.22827 0.23020 0.23139 0.23513 0.23745 0.24018 0.24216 0.24671 0.24895 0.25403 0.25679 0.26151 0.26734 0.27692 0.28947 0.29522 0.29844 0.29889 0.31417 0.32570 0.33549 0.33776 0.34039 0.34376 0.34522 0.34541 0.34573 0.34619 0.34660 0.34684 0.34707 0.34772 0.34781 0.34825 0.34865 0.34951 0.35080 0.35132 0.35238 0.35367 0.35576 0.35661 0.35818 0.36267 0.36431 0.37836 0.39169 0.39720 0.40174 0.42509 0.44791 0.45265 0.46278 0.46805 0.47310 0.49052 0.50919 0.53198 0.55656 0.56132 0.57502 0.62001 0.87905 0.98081 -4.24531052e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 2.59404 2.62915 2.31307 2.68734 2.58389 1.90813 2.54052 2.55314 2.74913 2.51607 2.95156 2.95122 2.90213 2.07306 2.95216 2.85740 2.05348 2.95224 2.85876 2.05888 2.94786 2.06476 2.05474 2.06224 2.06535 2.65791 2.62476 2.61733 2.90222 2.90231 2.06921 2.65501 2.64725 2.04959 2.07040 2.06544 2.06741 2.06492 2.07031 2.06748 2.62916 2.05027 2.04886 2.81342 2.68759 2.61674 2.81193 2.03629 2.05976 2.05795 2.06138 2.06058 2.18000 2.02472 2.06082 1.95838 2.08907 2.23571 1.83609 1.62733 2.05193 1.91885 2.05537 1.91612 1.88177 1.77480 1.73999 2.04949 1.85501 1.99730 2.01310 1.77465 1.73995 2.04714 1.85822 2.00262 2.00737 1.80017 1.92388 1.92886 1.94656 1.98411 1.88001 1.80012 1.94152 1.92840 1.96671 1.95093 1.87681 1.86216 2.32673 2.09427 1.85860 2.30186 2.12272 1.93159 1.93097 1.91170 1.92894 1.87984 1.87926 2.14029 2.07094 2.07034 2.06282 2.11439 2.10578 1.93196 1.95112 1.93659 1.88142 1.88014 1.87987 1.95055 1.93208 1.93603 1.88119 1.88078 1.88054 2.10979 2.07838 2.09501 2.10621 2.09443 2.08255 2.15786 2.09442 2.03090 2.35813 2.11853 1.80634 1.94717 2.04021 2.29528 1.87679 2.15043 2.25595 1.84241 1.94544 1.90112 1.93331 1.88283 1.95429 1.89683 1.91741 1.91298 1.91341 1.91341 1.90975 0.91745 -2.28590 -2.42952 0.65031 0.00492 -3.14145 -2.92742 0.20940 -0.00380 3.13136 0.00512 -3.13203 -3.12937 0.01666 3.09708 -1.09267 1.00628 -0.05208 2.04136 -2.14288 0.00102 3.11164 -0.98006 0.92263 3.10953 1.18014 3.08283 -1.01345 -2.94195 -1.03927 1.14763 0.98038 -0.92564 -3.10394 -1.17712 -3.08313 1.02175 2.94465 1.03864 -1.13967 -3.03836 1.10068 -0.96829 -1.11335 3.02569 0.95671 1.06519 -1.07896 3.13525 0.62542 -1.45479 2.75217 -1.18730 3.01566 0.93944 2.85312 0.77290 -1.30332 -0.60547 2.52820 1.23251 -1.91700 -2.81721 0.31646 -0.62642 -2.73893 1.46104 1.18713 -0.92538 -3.00860 -2.85431 1.31636 -0.76686 0.61236 -2.52505 -1.22627 1.91950 2.81796 -0.31946 0.00055 2.09585 -2.07129 2.06499 -2.12289 -0.00685 -2.08852 0.00678 2.12282 -0.00417 3.13377 -3.13911 -0.00117 -0.03771 -3.11756 3.09512 0.01527 3.12124 0.00053 -0.01565 -3.13636 -1.03566 1.06208 -3.12218 1.10967 -3.07578 -0.97685 -3.12497 -1.02723 1.07170 -1.06736 1.02978 3.11651 3.07014 -1.11591 0.97083 1.02123 3.11837 -1.07808 -3.09492 0.04897 -0.01258 3.13131 0.01833 -3.12260 3.13915 -0.00178 -0.00441 3.13653 3.13487 -0.00738 -2.88307 0.23355 0.26312 -2.90345 3.12159 0.01688 0.00193 -3.10278 -3.12755 0.00925 -0.00408 3.13272 -2.08618 2.15108 0.04850 1.01695 -1.02898 -3.13156 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00002 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00003 -0.00001 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00003 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -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 0.00001 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 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00003 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00002 -0.00000 0.00002 -0.00000 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 0.00002 0.00019 0.00020 0.00014 0.00011 -0.00005 -0.00007 -0.00001 -0.00005 0.00002 0.00000 0.00005 0.00004 -0.00038 -0.00037 -0.00037 -0.00042 -0.00041 -0.00041 0.00000 0.00003 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00004 0.00004 0.00004 0.00001 0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00002 0.00003 0.00001 0.00003 0.00002 0.00003 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00003 -0.00001 0.00001 -0.00001 0.00002 0.00001 0.00003 0.00001 -0.00000 -0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00002 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00008 0.00001 0.00010 0.00004 -0.00005 -0.00009 0.00001 -0.00003 0.00004 0.00005 -0.00001 0.00000 -0.00009 -0.00007 -0.00006 -0.00006 -0.00004 -0.00003 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 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 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00000 -0.00003 0.00002 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00012 0.00011 0.00004 0.00004 -0.00004 -0.00003 0.00004 0.00005 -0.00004 0.00006 0.00002 -0.00002 -0.00008 -0.00012 -0.00006 -0.00006 -0.00005 0.00005 0.00005 0.00006 0.00004 0.00003 0.00001 0.00000 0.00000 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00002 0.00002 0.00002 0.00003 0.00002 0.00002 0.00003 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00002 0.00000 0.00003 0.00001 0.00003 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 -0.00003 -0.00000 -0.00003 0.00000 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00002 -0.00002 0.00000 -0.00003 -0.00003 -0.00001 -0.00000 0.00003 0.00003 -0.00000 -0.00000 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00008 0.00003 -0.00010 0.00001 0.00007 0.00008 -0.00002 -0.00002 -0.00008 -0.00004 0.00000 0.00004 -0.00003 -0.00004 -0.00005 -0.00004 -0.00005 -0.00006 -0.00001 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00004 -0.00002 -0.00000 -0.00003 -0.00001 -0.00001 -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 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 0.00004 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00002 0.00003 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00004 -0.00003 -0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00012 0.00014 0.00023 0.00024 0.00010 0.00009 -0.00001 -0.00002 -0.00005 0.00001 0.00004 -0.00001 -0.00003 -0.00008 -0.00044 -0.00043 -0.00043 -0.00037 -0.00035 -0.00036 0.00004 0.00006 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00005 0.00006 0.00006 0.00005 0.00005 0.00006 0.00006 0.00006 0.00007 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00006 0.00002 0.00005 0.00002 0.00006 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00004 0.00001 -0.00004 0.00002 -0.00004 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00003 -0.00005 -0.00000 -0.00003 -0.00004 0.00002 0.00000 0.00006 0.00004 -0.00000 -0.00002 0.00004 0.00004 0.00004 0.00004 0.00004 0.00003 0.00004 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00004 0.00000 0.00005 0.00002 -0.00000 -0.00002 -0.00004 -0.00004 0.00001 -0.00001 0.00004 -0.00012 -0.00011 -0.00011 -0.00010 -0.00008 -0.00009 2.59403 2.62917 2.31307 2.68733 2.58390 1.90812 2.54055 2.55312 2.74913 2.51604 2.95156 2.95121 2.90213 2.07306 2.95215 2.85740 2.05348 2.95223 2.85876 2.05887 2.94786 2.06476 2.05474 2.06224 2.06535 2.65789 2.62476 2.61734 2.90222 2.90230 2.06921 2.65499 2.64724 2.04959 2.07039 2.06544 2.06740 2.06492 2.07030 2.06748 2.62916 2.05027 2.04886 2.81341 2.68760 2.61673 2.81192 2.03629 2.05976 2.05795 2.06138 2.06057 2.17998 2.02476 2.06082 1.95837 2.08907 2.23572 1.83608 1.62733 2.05192 1.91885 2.05537 1.91613 1.88177 1.77480 1.74000 2.04948 1.85500 1.99731 2.01310 1.77465 1.73995 2.04715 1.85822 2.00263 2.00737 1.80017 1.92389 1.92886 1.94656 1.98411 1.88001 1.80012 1.94152 1.92840 1.96671 1.95093 1.87681 1.86216 2.32672 2.09428 1.85860 2.30186 2.12272 1.93160 1.93097 1.91171 1.92894 1.87985 1.87926 2.14027 2.07097 2.07034 2.06282 2.11439 2.10579 1.93196 1.95112 1.93659 1.88142 1.88014 1.87987 1.95055 1.93208 1.93602 1.88119 1.88078 1.88054 2.10979 2.07838 2.09501 2.10621 2.09443 2.08254 2.15784 2.09441 2.03092 2.35817 2.11850 1.80632 1.94718 2.04020 2.29527 1.87681 2.15043 2.25594 1.84240 1.94544 1.90112 1.93329 1.88284 1.95430 1.89682 1.91743 1.91296 1.91341 1.91341 1.90975 0.91758 -2.28576 -2.42930 0.65055 0.00501 -3.14137 -2.92743 0.20938 -0.00384 3.13138 0.00516 -3.13204 -3.12940 0.01658 3.09664 -1.09309 1.00585 -0.05245 2.04100 -2.14324 0.00106 3.11170 -0.98006 0.92262 3.10952 1.18014 3.08282 -1.01346 -2.94196 -1.03928 1.14762 0.98038 -0.92563 -3.10394 -1.17711 -3.08312 1.02176 2.94466 1.03864 -1.13966 -3.03831 1.10074 -0.96823 -1.11330 3.02574 0.95678 1.06525 -1.07889 3.13532 0.62543 -1.45479 2.75217 -1.18730 3.01566 0.93944 2.85312 0.77289 -1.30333 -0.60546 2.52825 1.23253 -1.91695 -2.81719 0.31652 -0.62641 -2.73894 1.46103 1.18713 -0.92539 -3.00860 -2.85432 1.31635 -0.76687 0.61237 -2.52509 -1.22626 1.91946 2.81797 -0.31950 0.00054 2.09585 -2.07129 2.06499 -2.12288 -0.00684 -2.08852 0.00679 2.12283 -0.00419 3.13380 -3.13916 -0.00117 -0.03774 -3.11760 3.09514 0.01527 3.12130 0.00057 -0.01565 -3.13638 -1.03561 1.06212 -3.12214 1.10970 -3.07575 -0.97682 -3.12493 -1.02720 1.07173 -1.06733 1.02981 3.11655 3.07017 -1.11587 0.97086 1.02126 3.11840 -1.07805 -3.09493 0.04895 -0.01258 3.13131 0.01834 -3.12260 3.13918 -0.00176 -0.00442 3.13653 3.13487 -0.00737 -2.88307 0.23358 0.26312 -2.90340 3.12161 0.01688 0.00191 -3.10283 -3.12759 0.00926 -0.00409 3.13276 -2.08630 2.15097 0.04838 1.01685 -1.02906 -3.13165 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.000944 0.000166 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.948977e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3727 1.3913 1.224 1.4221 1.3673 1.0097 1.3444 1.3511 1.4548 1.3314 1.5619 1.5617 1.5357 1.097 1.5622 1.5121 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0873 1.0913 1.0929 1.4065 1.389 1.385 1.5358 1.5358 1.095 1.405 1.4009 1.0846 1.0956 1.093 1.094 1.0927 1.0956 1.0941 1.3913 1.085 1.0842 1.4888 1.4222 1.3847 1.488 1.0776 1.09 1.089 1.0908 1.0904 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9049 116.0081 118.0763 112.207 119.6951 128.0967 105.2001 93.2389 117.5667 109.9419 117.7638 109.7858 107.8177 101.6886 99.6943 117.427 106.2843 114.4371 115.3419 101.6799 99.6921 117.2926 106.4683 114.7419 115.0141 103.1422 110.2304 110.5156 111.5294 113.6813 107.7166 103.1392 111.2406 110.4892 112.6839 111.78 107.5334 106.6939 133.3118 119.9928 106.4899 131.8866 121.6231 110.6721 110.6367 109.5326 110.5202 107.707 107.6737 122.6299 118.6562 118.622 118.1907 121.1458 120.6526 110.6931 111.7908 110.9583 107.7976 107.7241 107.7086 111.7584 110.6997 110.9261 107.7842 107.7605 107.7471 120.8822 119.0822 120.0354 120.6768 120.0019 119.3213 123.636 120.0014 116.362 135.1107 121.3828 103.4954 111.5645 116.8952 131.51 107.5324 123.2104 129.2567 105.5623 111.4653 108.9263 110.7702 107.8784 111.9723 108.6802 109.8593 109.6058 109.6303 109.6301 109.4205 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 52.5661 -130.9725 -139.2013 37.2601 0.2819 -179.992 -167.7286 11.9975 -0.2175 179.4139 0.2936 -179.4522 -179.2995 0.9546 177.4495 -62.6052 57.6555 -2.9841 116.9612 -122.7781 0.0582 178.284 -56.1532 52.8628 178.1629 67.6173 176.6333 -58.0666 -168.5615 -59.5455 65.7546 56.1717 -53.035 -177.8426 -67.4439 -176.6505 58.5418 168.7163 59.5096 -65.298 -174.0851 63.0645 -55.479 -63.7903 173.3593 54.8157 61.0308 -61.8196 179.6368 35.8342 -83.3534 157.6878 -68.0275 172.7848 53.8261 163.4717 44.2841 -74.6747 -34.691 144.855 70.6178 -109.8362 -161.4142 18.1318 -35.8911 -156.9293 83.7112 68.0177 -53.0205 -172.38 -163.5401 75.4217 -43.9378 35.0859 -144.6748 -70.2602 109.9791 161.457 -18.3036 0.0313 120.0832 -118.6764 118.3152 -121.6329 -0.3925 -119.6635 0.3883 121.6287 -0.2391 179.5516 -179.8577 -0.067 -2.1606 -178.6232 177.3373 0.8747 178.834 0.0302 -0.8964 -179.7002 -59.3387 60.8526 -178.8876 63.5793 -176.2294 -55.9696 -179.0473 -58.856 61.4037 -61.1552 59.0019 178.563 175.9061 -63.9367 55.6244 58.5123 178.6695 -61.7694 -177.3258 2.8055 -0.7206 179.4108 1.0502 -178.9118 179.8602 -0.1018 -0.2525 179.7097 179.6148 -0.4229 -165.1877 13.3812 15.0756 -166.3555 178.8541 0.9672 0.1105 -177.7763 -179.1952 0.5301 -0.2338 179.4915 -119.5294 123.2477 2.7786 58.2669 -58.9559 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0540648619 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.9701,1.5709,-2.0763;-3.4731,2.4364,-.1431;-.7153,-.7152,1.5486;-.6772,.7504,-.1826;-4.5033,-1.7187,.2733;-4.8249,-.6138,-.3799;3.4449,-.7913,-.6088;2.0746,-.8456,.1102;4.0363,.2276,.3939;2.4926,-1.2431,1.5477;3.8418,-.5101,1.7408;1.7548,.623,.1591;2.9726,1.2884,.3359;4.1918,-2.1101,-.7896;.5807,1.3453,.0607;3.0408,2.6624,.4184;5.5809,-1.8647,-1.3719;3.3993,-3.0575,-1.6858;.6467,2.7397,.1333;1.8569,3.3883,.3053;-1.2685,-.1717,.6156;-2.6678,-.5266,.2764;-3.7327,.1215,-.3918;-3.2299,-1.7118,.692;-3.8304,1.464,-1.0171;-5.4778,-2.7698,.4242;3.3359,-.3268,-1.5966;1.3077,-1.4797,-.3294;5.0513,.5795,.2095;2.6095,-2.3256,1.6273;1.7354,-.9492,2.2694;3.8266,.1857,2.5796;4.6605,-1.2097,1.9211;4.3198,-2.6001,.1809;3.9883,3.1703,.5483;5.5179,-1.3586,-2.3382;6.1958,-1.2473,-.7162;6.1142,-2.8037,-1.5278;2.4278,-3.3067,-1.258;3.2237,-2.6131,-2.6683;3.9369,-3.9943,-1.8406;-.2694,3.3128,.0559;1.8777,4.4692,.3517;-1.2098,1.141,-.9409;-2.7934,-2.5222,1.2523;-4.8413,1.6572,-1.3805;-5.1347,-3.4696,1.1817;-6.4268,-2.343,.7391;-5.6211,-3.3028,-.5148; 0.000000 2.177036 0.000000 4.842587 4.516696 0.000000 3.084910 3.265175 2.268651 0.000000 4.323484 4.301127 4.120958 4.576383 0.000000 3.330273 3.344720 4.540762 4.370748 1.323244 0.000000 6.991900 7.648193 4.686963 4.421610 8.050609 8.274923 0.000000 6.005753 6.450788 3.141541 3.194562 6.637548 6.920750 1.548487 0.000000 7.549652 7.846021 4.979997 4.777392 8.759440 8.934690 1.546966 2.254025 0.000000 7.133978 7.210296 3.251067 4.125060 7.126909 7.593287 2.400264 1.548897 2.424309 0.000000 8.081044 8.108002 4.565744 5.070503 8.558878 8.923001 2.399360 2.427823 1.547970 1.547529 0.000000 5.312298 5.541777 3.134147 2.459204 6.682815 6.716598 2.333737 1.503735 2.327443 2.440274 2.853295 0.000000 6.419853 6.564666 4.368727 3.725504 8.058252 8.058033 2.332538 2.326214 1.503470 2.847392 2.442155 1.398970 0.000000 8.154703 8.935385 5.611874 5.679694 8.768587 9.149249 1.526402 2.625209 2.624806 3.016939 3.014210 3.782736 3.782006 0.000000 4.150475 4.203080 2.852948 1.412635 5.939747 5.766562 3.635535 2.652169 3.647163 3.544933 4.110956 1.381999 2.408315 5.069860 0.000000 6.598963 6.541982 5.176263 4.223788 8.725136 8.558031 3.625824 3.651632 2.630657 4.102319 3.529218 2.424938 1.378150 5.055845 2.813273 0.000000 9.242224 10.098737 7.035082 6.885980 10.218513 10.527537 2.509328 3.940745 3.143397 4.295053 3.814187 4.813644 4.434160 1.526008 6.112121 5.491083 0.000000 7.883142 8.932725 5.733901 5.777358 8.251115 8.678395 2.509570 3.142198 3.939887 3.816980 4.292612 4.433289 4.812141 1.526062 5.511789 6.105257 2.506146 0.000000 4.396632 4.140255 3.974198 2.410329 6.813161 6.438003 4.565997 3.859149 4.227073 4.611982 4.832553 2.389318 2.748952 6.077841 1.397776 2.412199 6.914580 6.670325 0.000000 5.681134 5.432899 5.000101 3.690283 8.156867 7.818749 4.563613 4.243956 3.840366 4.837168 4.604195 2.771093 2.378084 6.073204 2.421200 1.393317 6.653944 6.920434 1.383768 0.000000 3.630217 3.498340 1.213255 1.355409 3.601955 3.719469 4.909134 3.447560 5.324491 4.020311 5.243649 3.159165 4.494131 5.962182 2.455395 5.161499 7.330099 5.950857 3.518063 4.747446 0.000000 3.166351 3.099024 2.338062 2.409124 2.188639 2.256418 6.182162 4.755987 6.747463 5.362807 6.672307 4.571063 5.925527 7.120298 3.755461 6.540469 8.517501 6.860409 4.655631 5.983322 1.482912 0.000000 2.349367 2.342626 3.683774 3.126531 2.103027 1.316742 7.238692 5.908600 7.809392 6.661722 7.894294 5.537818 6.844851 8.242376 4.506440 7.279584 9.573292 7.914910 5.129290 6.511617 2.678256 1.414398 0.000000 4.301985 4.238480 2.837279 3.652903 1.340502 2.213341 6.862375 5.406086 7.526480 5.805054 7.249297 5.530107 6.899187 7.578608 4.925982 7.650473 9.050511 7.170079 5.929236 7.213612 2.494938 1.376039 2.188329 0.000000 1.368696 1.355440 4.586459 3.338856 3.499618 2.390013 7.627787 6.439964 8.087343 7.340771 8.388409 5.769307 6.938434 8.785318 4.542431 7.121087 9.988850 8.553294 4.795360 6.147921 3.450265 2.643280 1.484120 3.656141 0.000000 5.601986 5.607595 5.307281 5.983805 1.441268 2.391897 9.197665 7.799984 9.975189 8.192726 9.679594 7.993233 9.374769 9.767846 7.332952 10.103225 11.240095 9.128950 8.243092 9.577801 4.950238 3.598607 3.474352 2.498854 4.766129 0.000000 6.602860 7.490754 5.143489 4.389187 8.178452 8.256032 1.096990 2.184786 2.181679 3.381869 3.380444 2.546439 2.544666 2.136358 3.624057 3.617000 2.730435 2.732935 4.430294 4.427936 5.110641 6.292266 7.184554 7.089806 7.409354 9.366639 0.000000 5.536892 6.182801 2.864257 2.989124 5.847005 6.193616 2.262720 1.087944 3.299051 2.232412 3.412884 2.204523 3.298080 2.987918 2.943060 4.551956 4.415335 2.950259 4.295833 4.939876 3.039853 4.132771 5.288958 4.656848 5.961341 6.948021 2.654941 0.000000 8.399498 8.731485 6.059942 5.744470 9.827295 9.965491 2.264743 3.301747 1.089927 3.414571 2.234910 3.297180 2.199914 2.995165 4.538145 2.902501 2.958947 4.421472 4.906374 4.254773 6.377243 7.798231 8.816455 8.605836 9.009513 11.051061 2.650637 4.306467 0.000000 7.748023 7.925293 3.695127 4.851860 7.265903 7.888591 2.837624 2.185932 3.174274 1.091701 2.197151 3.403012 3.855009 2.896840 4.477290 5.150541 4.246960 3.483668 5.633977 5.913003 4.549946 5.736864 7.091472 5.945559 7.926291 8.188374 3.862165 2.497837 4.051178 0.000000 6.883184 6.664212 2.565158 3.836929 6.595243 7.082990 3.351364 2.188149 3.193298 1.086634 2.215706 2.631697 3.205706 4.091427 3.387722 4.263147 5.374508 4.780938 4.399554 4.763113 3.516108 4.851684 6.174826 5.265290 6.899457 7.664800 4.230274 2.686730 4.192320 1.752413 0.000000 8.354176 8.109614 4.743796 5.313512 8.850599 9.178621 3.356428 3.198568 2.196128 2.210412 1.089924 3.215978 2.641892 4.093348 4.269118 3.379701 4.784913 5.375347 4.755922 4.394245 5.472251 6.927475 8.122611 7.547033 8.555715 9.997663 4.235972 4.192989 2.696629 2.948720 2.399517 0.000000 9.051901 9.149369 5.411286 6.062887 9.324610 9.778652 2.837721 3.177837 2.188068 2.200016 1.091858 3.860871 3.406255 2.894507 5.160768 4.458128 3.481354 4.244344 5.907946 5.622548 6.159103 7.541569 8.807202 8.001243 9.374222 10.366248 3.861050 4.047097 2.506653 2.353292 2.957269 1.753861 0.000000 8.696842 9.284481 5.547575 6.027302 8.867460 9.374727 2.158891 2.850355 2.849825 2.654808 2.651380 4.119229 4.118239 1.094699 5.437066 5.420953 2.131297 2.130979 6.481280 6.476338 6.108624 7.289380 8.519260 7.618874 9.185703 9.802089 3.048832 3.254017 3.262799 2.256647 3.710348 3.709114 2.253330 0.000000 7.607029 7.529268 6.182359 5.306328 9.802295 9.636066 4.162732 4.470058 2.947190 4.765941 3.871571 3.410123 2.149007 5.451101 3.896134 1.082882 5.619127 6.642607 3.394673 2.156282 6.229579 7.618704 8.354193 8.715375 8.154391 11.176198 4.154011 5.438661 2.820836 5.768070 5.000861 3.613872 4.639067 5.791615 0.000000 8.983152 10.002961 7.373850 6.890117 10.362118 10.552883 2.758584 4.256092 3.489240 4.925974 4.490759 4.931912 4.542666 2.172833 6.118950 5.468402 1.092568 2.792950 6.828781 6.551632 7.495919 8.633290 9.568303 9.264433 9.854045 11.424885 2.524986 4.666443 3.234907 5.011854 5.975370 5.424853 4.347220 3.053276 5.584111 0.000000 9.685425 10.362815 7.292211 7.177376 10.755117 11.044077 2.790522 4.222479 2.840943 4.340379 3.481626 4.897664 4.233957 2.183079 6.233391 5.150542 1.090542 3.469547 6.885537 6.431124 7.658154 8.948124 10.027705 9.541619 10.390711 11.827627 3.130747 4.908962 2.346113 4.417741 5.375753 4.304488 3.051873 2.480807 5.097826 1.761464 0.000000 10.097646 11.013316 7.776111 7.782314 10.823658 11.215040 3.466888 4.778702 4.147145 5.000957 4.594335 5.795862 5.485308 2.172867 7.096276 6.565995 1.091110 2.731311 7.961245 7.734731 8.125625 9.250053 10.334810 9.665945 10.833647 11.755246 3.722702 5.127533 3.948941 4.739821 6.085404 5.571334 4.068025 2.486151 6.672225 1.760849 1.757187 0.000000 7.321055 8.309491 4.946934 5.220915 7.273672 7.786174 2.789906 2.838002 4.219889 3.483470 4.337428 4.231273 4.894169 2.182471 5.176134 6.230327 3.469071 1.090362 6.454984 6.898806 5.196288 6.004038 7.103143 6.193137 7.872856 8.100411 3.133585 2.335567 4.913175 3.052974 4.298861 5.374091 4.414633 2.479813 6.902904 3.809302 4.328166 3.730327 0.000000 7.498006 8.759128 6.074545 5.719189 8.316242 8.603193 2.758494 3.487796 4.255123 4.492800 4.923809 4.541334 4.930485 2.172410 5.486527 6.114892 2.792222 1.092503 6.568240 6.835711 6.076557 6.909036 7.813610 7.331614 8.313199 9.236095 2.527486 3.228924 4.670550 4.348747 5.418896 5.977961 5.009524 3.052708 6.661707 2.635482 3.809073 3.113102 1.761664 0.000000 8.873214 9.957142 6.624373 6.822872 8.993533 9.504263 3.466822 4.145933 4.777763 4.597316 4.997492 5.484502 5.794351 2.172496 6.587176 7.086500 2.730877 1.091135 7.750367 7.964590 6.909534 7.754279 8.823937 7.936372 9.528979 9.760420 3.724446 3.939505 5.134655 4.070964 5.568814 6.084603 4.735786 2.485317 7.552581 3.113554 3.730021 2.501181 1.757735 1.761081 0.000000 3.856846 3.327458 4.318798 2.605602 6.579491 6.030043 5.575092 4.773791 5.307755 5.532687 5.861343 3.367959 3.832332 7.072889 2.143293 3.392842 7.941691 7.554739 1.083383 2.142140 3.667902 4.532352 4.730698 5.866552 4.153402 8.016347 5.382913 5.060046 5.983664 6.522984 5.204199 5.738030 6.945171 7.485915 4.288404 7.813209 7.949227 8.981643 7.267708 7.398615 8.641989 0.000000 6.147930 5.745276 5.918947 4.543364 8.888907 8.443730 5.572401 5.323876 4.759541 5.868488 5.530008 3.853001 3.363979 7.067223 3.394887 2.149815 7.536752 7.944718 2.134057 1.082067 5.613019 6.754608 7.136599 8.025441 6.594473 10.320420 5.378098 6.014858 5.022162 6.952150 5.749542 5.206751 6.515902 7.481210 2.486073 7.379021 7.243340 8.624152 7.959833 7.816067 8.982091 2.456495 0.000000 2.138391 2.727117 3.144480 1.005570 4.527600 4.057459 5.050827 3.979756 5.489835 5.058176 5.952851 3.204250 4.375430 6.306402 2.061795 4.714858 7.438636 6.279047 2.675136 4.000993 2.036986 2.527507 2.775911 3.858186 2.641487 5.947574 4.821639 3.685079 6.390652 5.761982 4.832121 6.218695 6.940964 6.769860 5.775481 7.311811 7.784508 8.339438 5.754567 6.060828 7.325971 2.568057 4.720190 0.000000 5.278635 5.195887 2.769787 4.153006 2.127819 3.230024 6.736218 5.273778 7.412413 5.446609 6.950768 5.636801 6.971919 7.289236 5.269016 7.849426 8.800415 6.875191 6.385448 7.580016 2.873253 2.225022 3.251881 1.077544 4.702657 2.820101 7.106664 4.517464 8.499846 5.419490 4.900889 7.274586 7.598043 7.193854 8.882118 9.128155 9.290155 9.335592 5.846190 7.182287 7.551829 6.469144 8.456343 4.553786 0.000000 1.998222 2.002568 5.588616 4.426859 3.774446 2.481749 8.674848 7.504387 9.165460 8.412690 9.478224 6.851927 8.008706 9.805109 5.618996 8.147031 11.001174 9.498925 5.795011 7.120719 4.482694 3.498365 2.136579 4.271165 1.091527 4.822931 8.417273 6.982497 10.077399 8.968008 7.960454 9.642697 10.459640 10.221986 9.163635 10.831697 11.432277 11.829817 8.803157 9.216251 10.450301 5.070247 7.486839 3.694267 5.347278 0.000000 6.380139 6.276731 5.220383 6.288010 2.071114 3.269605 9.164523 7.746394 9.919537 7.954035 9.468260 8.078347 9.438328 9.628995 7.556853 10.248040 11.131882 9.012206 8.548616 9.832674 5.113108 3.945444 4.163889 2.637785 5.556633 1.086870 9.452340 6.909890 11.004272 7.840874 7.398163 9.778569 10.079595 9.546927 11.301254 11.415882 11.701304 11.589675 7.947879 9.242211 9.576125 8.422610 10.624809 6.416205 2.526656 5.738969 0.000000 5.932374 5.687288 5.993878 6.593678 2.075234 2.609262 10.083435 8.655118 10.779824 9.023294 10.478888 8.721924 10.084568 10.730638 7.947917 10.714105 12.201187 10.146041 8.731277 10.082452 5.598012 4.200422 3.822444 3.258999 4.931373 1.087113 10.238708 7.855499 11.856145 9.079880 8.420551 10.719842 11.207545 10.764141 11.785898 12.373929 12.753408 12.752526 9.128010 10.237967 10.806834 8.388638 10.748034 6.494418 3.673830 4.796689 1.770567 0.000000 5.763554 6.139276 5.917791 6.401639 2.092851 2.807662 9.407935 8.102578 10.322560 8.621385 10.120907 8.382692 9.780309 9.888952 7.771674 10.558535 11.326358 9.099347 8.730237 10.067964 5.479646 4.129805 3.912467 3.115366 5.116741 1.089230 9.500262 7.166972 11.379658 8.560723 8.210270 10.535853 10.771472 9.989917 11.634937 11.453449 11.996050 11.789461 8.083094 9.129311 9.674234 8.528396 10.834494 6.276022 3.424554 5.095058 1.772675 1.772723 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.1385,1.4919,2.0585;3.6658,2.3587,.1324;.778,-.663,-1.5795;.806,.7834,.168;4.5297,-1.8287,-.3353;4.8977,-.7447,.3284;-3.3715,-.5999,.5988;-2.0078,-.6999,-.128;-3.9272,.4525,-.3894;-2.4481,-1.0646,-1.5675;-3.7683,-.2771,-1.7454;-1.6308,.7554,-.1623;-2.8223,1.4701,-.3254;-4.1688,-1.8904,.769;-.4288,1.43,-.0622;-2.8368,2.8466,-.3924;-5.5443,-1.5971,1.3613;-3.4098,-2.8782,1.6505;-.4403,2.8265,-.119;-1.6248,3.5241,-.2774;1.3567,-.1522,-.6434;2.7426,-.5655,-.3155;3.8353,.0328,.3542;3.2556,-1.7672,-.7471;3.9887,1.3632,.9937;5.4615,-2.9155,-.5029;-3.2396,-.1512,1.591;-1.2643,-1.3686,.3006;-4.9267,.8419,-.1959;-2.6079,-2.1407,-1.6584;-1.6834,-.7926,-2.2899;-3.7299,.427,-2.5765;-4.6147,-.9419,-1.9291;-4.3206,-2.3641,-.2062;-3.7643,3.3927,-.5117;-5.4568,-1.1048,2.3327;-6.1377,-.9488,.7156;-6.1134,-2.5162,1.5096;-2.4509,-3.1605,1.2149;-3.2122,-2.452,2.6368;-3.9831,-3.7948,1.7978;.498,3.3624,-.0402;-1.6033,4.6054,-.3119;1.3572,1.1443,.9277;2.7849,-2.5534,-1.314;5.0082,1.5125,1.3539;5.0874,-3.5928,-1.2661;6.425,-2.5228,-.8179;5.5882,-3.4643,.4295; 0.3454841 0.1157726 0.0981875 -24.70631 -24.70245 -19.08953 -14.42406 -14.35834 -14.34504 -10.35290 -10.28301 -10.23644 -10.23047 -10.22578 -10.21026 -10.19743 -10.17095 -10.16914 -10.16858 -10.16857 -10.16840 -10.16768 -10.16756 -10.16641 -10.16640 -10.15834 -10.15381 -10.15364 -10.15202 -1.27941 -1.21811 -1.10093 -1.05135 -0.94491 -0.89624 -0.88868 -0.83756 -0.82593 -0.79382 -0.77184 -0.75799 -0.73925 -0.71749 -0.70484 -0.69404 -0.68202 -0.66133 -0.62794 -0.61407 -0.61127 -0.59807 -0.57944 -0.57588 -0.56888 -0.55819 -0.54775 -0.54258 -0.52806 -0.51747 -0.51404 -0.50512 -0.49470 -0.47639 -0.46353 -0.45587 -0.45068 -0.44953 -0.44384 -0.43836 -0.43447 -0.43087 -0.43033 -0.42754 -0.42276 -0.41926 -0.41068 -0.39725 -0.39324 -0.38399 -0.37073 -0.36747 -0.36624 -0.35814 -0.35330 -0.34355 -0.33562 -0.33358 -0.32609 -0.32405 -0.32113 -0.31287 -0.29841 -0.29108 -0.28651 -0.27997 -0.26330 -0.23571 -0.23373 -0.03403 -0.02155 -0.00857 -0.00584 -0.00407 0.00293 0.01126 0.01553 0.01828 0.02264 0.02708 0.03032 0.03433 0.03539 0.03869 0.04214 0.04647 0.04914 0.05389 0.05628 0.05880 0.06129 0.06682 0.07062 0.07301 0.07651 0.07977 0.08345 0.08762 0.08906 0.09194 0.09577 0.10113 0.10175 0.10410 0.10927 0.11291 0.11338 0.11671 0.12103 0.12560 0.12649 0.12818 0.13344 0.13676 0.14112 0.14181 0.14615 0.14963 0.15219 0.15360 0.15796 0.15929 0.16187 0.16296 0.16898 0.17012 0.17303 0.17767 0.17796 0.17915 0.17991 0.18457 0.18644 0.18789 0.19105 0.19229 0.19575 0.19734 0.19919 0.20403 0.20483 0.20569 0.20837 0.21015 0.21204 0.21512 0.21739 0.22150 0.22307 0.22569 0.22976 0.23082 0.23262 0.23342 0.23547 0.23976 0.24268 0.24351 0.24622 0.24801 0.24922 0.25307 0.25598 0.25795 0.26091 0.26236 0.26449 0.26704 0.26832 0.27061 0.27547 0.27934 0.28410 0.28465 0.28782 0.28905 0.29344 0.29765 0.29824 0.30177 0.30557 0.30820 0.30924 0.31529 0.31632 0.31808 0.32330 0.32472 0.33228 0.33500 0.33908 0.34429 0.34605 0.35141 0.35346 0.35506 0.35859 0.36604 0.36800 0.37274 0.37434 0.37676 0.38191 0.38692 0.39141 0.39585 0.39837 0.40513 0.40907 0.41299 0.41303 0.41783 0.41901 0.42762 0.43765 0.44182 0.44409 0.45405 0.45860 0.46320 0.46783 0.47130 0.47891 0.48155 0.48954 0.49609 0.50076 0.50879 0.50951 0.51561 0.52800 0.53050 0.53174 0.53583 0.55008 0.55666 0.56159 0.56704 0.57228 0.57427 0.57721 0.58599 0.59150 0.59486 0.60157 0.60317 0.60877 0.61492 0.61837 0.62443 0.62859 0.63734 0.64267 0.64648 0.65048 0.65502 0.66598 0.66723 0.66976 0.67370 0.67926 0.68141 0.68713 0.68975 0.69621 0.70094 0.70419 0.70655 0.70904 0.71186 0.71472 0.71763 0.72087 0.72614 0.72860 0.72963 0.73126 0.73408 0.74390 0.75043 0.75581 0.76005 0.76565 0.76692 0.76980 0.77428 0.78409 0.78543 0.78970 0.79710 0.80653 0.81038 0.81148 0.81762 0.82584 0.83067 0.83233 0.84074 0.85017 0.85281 0.85778 0.86664 0.86911 0.87905 0.88274 0.88657 0.89208 0.89561 0.90337 0.91344 0.91908 0.93562 0.93730 0.94304 0.95448 0.96709 0.97680 0.97995 0.98652 0.99126 0.99803 1.00133 1.01538 1.02371 1.02923 1.03980 1.04684 1.05747 1.06495 1.07921 1.08166 1.08626 1.09126 1.10202 1.10964 1.11456 1.13991 1.14537 1.15385 1.16228 1.17604 1.18982 1.19731 1.20390 1.20885 1.20968 1.23999 1.24696 1.25594 1.26533 1.28295 1.28523 1.29915 1.31559 1.32010 1.33540 1.34171 1.34702 1.35430 1.36310 1.36973 1.38890 1.40086 1.40560 1.42065 1.42809 1.44184 1.44562 1.45022 1.45231 1.46495 1.47477 1.47913 1.49710 1.49884 1.50352 1.50445 1.51272 1.51881 1.52348 1.53165 1.53483 1.53912 1.54216 1.54781 1.54936 1.55616 1.56993 1.57327 1.57770 1.58623 1.58932 1.59201 1.60387 1.60723 1.61087 1.62175 1.62315 1.63299 1.63622 1.64419 1.65219 1.65338 1.66020 1.66186 1.67197 1.68188 1.68751 1.69561 1.71047 1.71208 1.71640 1.72311 1.73129 1.74326 1.74540 1.75075 1.75559 1.76721 1.77410 1.78225 1.79151 1.79352 1.79834 1.79962 1.80794 1.82330 1.83095 1.83814 1.83963 1.84943 1.85051 1.86077 1.86371 1.87719 1.88042 1.88627 1.89621 1.90535 1.91424 1.92000 1.92611 1.93744 1.94231 1.94587 1.95251 1.96401 1.97080 1.97481 1.99331 1.99790 2.00927 2.01246 2.02028 2.02470 2.03331 2.04674 2.04936 2.05251 2.05901 2.06318 2.07375 2.07847 2.09286 2.10394 2.11000 2.13664 2.13996 2.15096 2.16730 2.17553 2.17971 2.18430 2.19456 2.20125 2.20520 2.21540 2.23297 2.26231 2.27293 2.27993 2.28961 2.30429 2.30809 2.31514 2.33461 2.34572 2.34812 2.35968 2.37475 2.38692 2.39490 2.42010 2.42743 2.43659 2.43918 2.44363 2.45292 2.45735 2.47273 2.47711 2.48169 2.49076 2.50901 2.51899 2.52200 2.52675 2.54587 2.54794 2.55908 2.56391 2.57028 2.58601 2.59700 2.61213 2.61399 2.62073 2.62581 2.64196 2.64552 2.64972 2.65499 2.69602 2.70149 2.71135 2.71442 2.71943 2.72332 2.74383 2.74780 2.75030 2.75262 2.75496 2.76725 2.77630 2.78079 2.78612 2.79145 2.79888 2.80068 2.81042 2.82560 2.83609 2.86093 2.86793 2.88320 2.88404 2.89973 2.90831 2.91380 2.92412 2.93367 2.94464 2.95788 2.95933 2.96302 2.97359 2.98370 3.00184 3.01064 3.01628 3.02010 3.03239 3.04930 3.05979 3.07167 3.07228 3.07667 3.09603 3.10188 3.10797 3.15241 3.16385 3.18452 3.19180 3.19683 3.22634 3.23406 3.25575 3.29331 3.31592 3.31868 3.35306 3.37372 3.40628 3.42069 3.43215 3.44143 3.45859 3.46451 3.50563 3.52944 3.58224 3.59550 3.62843 3.64717 3.67455 3.68448 3.69988 3.71301 3.72438 3.75643 3.76664 3.77339 3.79823 3.80697 3.81523 3.81660 3.83131 3.84882 3.85057 3.85526 3.86322 3.91152 3.96543 3.98770 3.99551 4.00557 4.01181 4.03548 4.04330 4.06248 4.09128 4.09845 4.13138 4.15044 4.16821 4.19023 4.24340 4.28295 4.30171 4.33047 4.35819 4.38357 4.39509 4.41539 4.46416 4.60829 4.78751 4.88882 4.90200 4.91545 5.00766 5.11817 5.15144 5.32459 5.47630 5.84999 6.35328 6.39115 6.40797 6.46224 6.58697 6.71003 23.62365 23.67198 23.76692 23.86547 23.88219 23.90983 23.91424 23.93366 23.96884 23.97972 23.98455 23.99740 24.00643 24.01424 24.03857 24.13026 24.13887 24.14595 24.16663 24.24256 35.51354 35.60014 35.67912 50.07362 66.75700 66.82883 1-A. 2.3061 -3.1990 0.7111 4.0072 -131.6177 -141.4404 -161.5771 -15.6350 -2.1151 2.6136 13.2607 3.4380 -16.6987 -15.6350 -2.1151 2.6136 152.3974 -11.5672 14.1506 69.4843 -69.1199 -23.5765 25.7230 -1.5102 -8.9919 20.7541 -10184.4296 -2974.7761 -1087.1495 -342.1034 -20.0105 -162.8383 61.4348 29.1396 33.4722 -1990.9063 -1978.0522 -725.2947 114.5896 -5.5747 12.2252 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; 0.000000 2.201084 0.000000 4.676158 4.796011 0.000000 3.250963 3.005277 2.285165 0.000000 4.337531 4.373610 4.143437 4.619576 0.000000 3.355443 3.386951 4.586923 4.395458 1.344384 0.000000 5.952089 6.911533 4.604256 4.438221 8.019811 7.972165 0.000000 5.113475 5.905315 3.043631 3.194775 6.594085 6.660051 1.561900 0.000000 6.940208 7.490976 4.914961 4.795726 8.748130 8.780317 1.561719 2.270270 0.000000 6.418588 7.043336 3.149696 4.130820 7.062002 7.401295 2.422542 1.562215 2.445817 0.000000 7.505307 8.013029 4.489553 5.084940 8.519533 8.790723 2.422283 2.445837 1.562256 1.559942 0.000000 4.971695 5.240124 3.090522 2.466097 6.692856 6.634569 2.349740 1.512073 2.339807 2.460002 2.871248 0.000000 6.191943 6.371893 4.335220 3.742457 8.079419 8.018563 2.350104 2.342321 1.512791 2.874856 2.463561 1.406504 0.000000 6.798225 8.065084 5.523508 5.701646 8.711037 8.734618 1.535742 2.649180 2.651782 3.051405 3.052531 3.809604 3.811344 0.000000 4.310688 4.089912 2.862870 1.422078 5.987263 5.816499 3.657556 2.664009 3.666514 3.567276 4.133905 1.388964 2.420874 5.101277 0.000000 6.784916 6.581203 5.177508 4.247793 8.779976 8.642194 3.649048 3.673512 2.646640 4.137199 3.558091 2.437092 1.385034 5.090358 2.827147 0.000000 7.908468 9.169094 6.960240 6.917151 10.177175 10.121409 2.526341 3.972867 3.176584 4.339257 3.861871 4.846397 4.467755 1.535789 6.149348 5.528545 0.000000 6.171364 7.774022 5.638378 5.793919 8.170102 8.123738 2.525840 3.165297 3.973246 3.849715 4.333585 4.460554 4.844592 1.535836 5.540991 6.142038 2.524100 0.000000 5.106390 4.380148 4.022761 2.431566 6.900515 6.641915 4.593060 3.879388 4.252053 4.646488 4.865834 2.402656 2.765187 6.114544 1.404969 2.426286 6.955243 6.703817 0.000000 6.291309 5.680709 5.035632 3.715596 8.241721 8.014283 4.589834 4.266646 3.862334 4.874800 4.637850 2.784593 2.390378 6.109926 2.432335 1.400863 6.693402 6.956348 1.391293 0.000000 3.584170 3.575339 1.224025 1.367338 3.624813 3.746734 4.829342 3.351457 5.278353 3.943148 5.193934 3.123122 4.479189 5.870439 2.473302 5.186832 7.254115 5.836086 3.588138 4.807941 0.000000 3.152297 3.153904 2.353116 2.427753 2.206805 2.277586 6.044978 4.614358 6.673640 5.245476 6.594691 4.526049 5.906875 6.942614 3.785365 6.584725 8.358230 6.629231 4.765836 6.083633 1.488797 0.000000 2.365042 2.370266 3.721642 3.125008 2.125733 1.331445 6.826790 5.548304 7.590865 6.415076 7.719891 5.398931 6.765406 7.708144 4.541485 7.357396 9.050922 7.213805 5.371478 6.734106 2.690615 1.422210 0.000000 4.289104 4.314314 2.836594 3.694464 1.351064 2.237349 6.971297 5.479504 7.584600 5.814839 7.260275 5.579649 6.941426 7.712192 4.959605 7.676447 9.197370 7.343139 5.942825 7.226864 2.506214 1.384721 2.204382 0.000000 1.372707 1.391289 4.640679 3.303868 3.527272 2.404027 6.859129 5.810453 7.674946 6.946122 8.094949 5.499087 6.767655 7.807555 4.574337 7.233268 8.998609 7.281026 5.219040 6.533663 3.463791 2.653668 1.488009 3.676195 0.000000 5.641546 5.683102 5.333828 6.048767 1.454779 2.421049 9.304232 7.869541 10.043130 8.199871 9.695024 8.058901 9.438273 9.887927 7.394876 10.161608 11.379788 9.279723 8.298439 9.632492 4.986414 3.630941 3.510454 2.523321 4.807214 0.000000 5.518894 6.528910 5.068961 4.404864 8.165275 7.935013 1.097018 2.193575 2.191413 3.401520 3.400460 2.554592 2.552137 2.143122 3.638865 3.629094 2.743564 2.749535 4.446415 4.442069 5.033270 6.157651 6.737236 7.225622 6.532746 9.505927 0.000000 4.354888 5.413186 2.752356 2.978501 5.784770 5.823570 2.276821 1.086655 3.315581 2.241851 3.430434 2.207654 3.310265 3.014124 2.946878 4.568312 4.449369 2.977272 4.306650 4.954617 2.907502 3.931370 4.780406 4.766122 5.095024 7.040566 2.667173 0.000000 7.801830 8.350168 5.996865 5.764524 9.819081 9.811070 2.277367 3.317724 1.089510 3.435156 2.247763 3.308818 2.206677 3.020073 4.557036 2.916257 2.992953 4.455594 4.930231 4.275189 6.334954 7.728602 8.599697 8.666615 8.591683 11.123876 2.661844 4.323833 0.000000 6.783812 7.644102 3.586876 4.856344 7.173990 7.604083 2.849411 2.194273 3.190377 1.092625 2.208671 3.420349 3.878724 2.921095 4.499247 5.182973 4.281613 3.507482 5.667727 5.949237 4.456382 5.578588 6.739761 5.973061 7.363330 8.200034 3.873520 2.507533 4.066868 0.000000 6.431633 6.787287 2.473943 3.832071 6.527518 6.985731 3.371159 2.193947 3.215040 1.087324 2.231192 2.646283 3.232302 4.124630 3.403571 4.299110 5.419233 4.809155 4.431588 4.801174 3.454383 4.767379 6.056204 5.216113 6.745979 7.623204 4.245571 2.684930 4.214582 1.760444 0.000000 8.055639 8.291105 4.685437 5.321950 8.819851 9.147768 3.377286 3.212571 2.206094 2.222013 1.091288 3.227168 2.656914 4.132383 4.284547 3.403928 4.834779 5.416501 4.783285 4.423307 5.443880 6.890717 8.079798 7.514693 8.505454 9.977359 4.252187 4.205286 2.707868 2.965319 2.417552 0.000000 8.307978 8.978183 5.328064 6.077472 9.269245 9.589882 2.855898 3.195579 2.197833 2.212042 1.092937 3.878453 3.425108 2.931183 5.184133 4.485005 3.529003 4.286016 5.940999 5.655204 6.099239 7.440503 8.568640 8.021414 8.970265 10.383743 3.878572 4.067506 2.516384 2.366451 2.975248 1.761833 0.000000 7.408836 8.604371 5.457002 6.048473 8.796027 8.984271 2.163782 2.872522 2.871342 2.687836 2.686447 4.146189 4.147298 1.094980 5.469854 5.456984 2.140229 2.139835 6.521592 6.516503 6.019314 7.115437 8.027452 7.726136 8.313889 9.891686 3.052495 3.279247 3.280863 2.283472 3.746201 3.748629 2.289254 0.000000 7.796625 7.598618 6.180900 5.332191 9.857004 9.726350 4.186499 4.493520 2.962657 4.801643 3.900734 3.423528 2.156062 5.486559 3.911737 1.084597 5.657767 6.681716 3.410343 2.165182 6.255147 7.664384 8.439411 8.738056 8.281989 11.231633 4.167686 5.457484 2.835566 5.801610 5.038873 3.640197 4.666674 5.828070 0.000000 7.623634 8.909393 7.298440 6.915629 10.327414 10.128177 2.773025 4.282417 3.521943 4.966406 4.536957 4.958485 4.571785 2.179025 6.148751 5.500834 1.095606 2.804548 6.860591 6.583505 7.415972 8.470315 9.016830 9.423465 8.784983 11.582135 2.536452 4.693323 3.273125 5.041958 6.014330 5.472251 4.393403 3.060369 5.619769 0.000000 8.557737 9.617906 7.219718 7.205245 10.719139 10.710230 2.800482 4.249210 2.865688 4.380360 3.524335 4.924658 4.261162 2.190781 6.265967 5.183047 1.092986 3.487421 6.922823 6.466920 7.591864 8.813940 9.596383 9.658508 9.573700 11.941854 3.135654 4.936787 2.373301 4.449323 5.419186 4.352077 3.095787 2.489312 5.132156 1.768333 0.000000 8.612625 10.017590 7.695170 7.812709 10.764842 10.748704 3.484385 4.810861 4.181286 5.044112 4.642040 5.829917 5.521106 2.181170 7.134691 6.606492 1.094024 2.747090 8.003820 7.776966 8.040667 9.068385 9.750032 9.820536 9.739090 11.897987 3.738741 5.162740 3.984887 4.774424 6.129953 5.623424 4.117665 2.493980 6.714655 1.768345 1.766054 0.000000 5.584775 7.203262 4.845206 5.232670 7.179671 7.212310 2.801650 2.854110 4.245865 3.505091 4.367205 4.254117 4.921708 2.190208 5.201877 6.262937 3.486746 1.092707 6.485695 6.931656 5.071045 5.754648 6.380035 6.365625 6.601917 8.243540 3.148038 2.359460 4.939156 3.066881 4.315884 5.404029 4.444482 2.486034 6.937063 3.821838 4.344300 3.746357 0.000000 5.697832 7.386427 5.981252 5.728803 8.248074 8.021899 2.769785 3.503571 4.283083 4.520853 4.960405 4.559111 4.953541 2.179115 5.505142 6.140709 2.807576 1.095559 6.588489 6.858576 5.958475 6.674742 7.067850 7.524877 6.916561 9.415206 2.540351 3.248528 4.701364 4.368791 5.440390 6.012833 5.047778 3.060058 6.690756 2.643992 3.823425 3.130149 1.767920 0.000000 7.057677 8.764061 6.531610 6.843219 8.901925 8.902725 3.483755 4.172905 4.812319 4.634057 5.041586 5.515229 5.829164 2.180837 6.620232 7.125569 2.743953 1.094062 7.787358 8.003327 6.796218 7.513515 8.082118 8.120113 8.185506 9.919687 3.741412 3.971895 5.169689 4.100960 5.603031 6.130793 4.781996 2.495463 7.593673 3.121120 3.745828 2.512173 1.766442 1.768596 0.000000 5.044893 3.869038 4.400319 2.631951 6.701201 6.356604 5.602505 4.794952 5.334312 5.569083 5.896945 3.383109 3.850137 7.109294 2.152418 3.408020 7.981237 7.586403 1.084954 2.150332 3.775511 4.705360 5.139772 5.872352 4.914022 8.072150 5.398847 5.071337 6.008895 6.559409 5.238910 5.768606 6.980809 7.527337 4.305268 7.842444 7.986177 9.022972 7.297857 7.415816 8.677250 0.000000 7.024565 6.173034 5.971285 4.572528 8.994921 8.720049 5.599799 5.348720 4.783176 5.909370 5.566755 3.868636 3.377833 7.104875 3.408016 2.157973 7.576232 7.981100 2.142104 1.084210 5.693543 6.890827 7.458816 8.029669 7.175462 10.371768 5.392743 6.031340 5.044506 6.992014 5.792269 5.240437 6.551861 7.523307 2.495967 7.410479 7.280028 8.666759 7.993645 7.838502 9.021074 2.465314 0.000000 2.733377 2.054021 3.155933 1.009737 4.576181 4.089923 5.167334 4.061412 5.572638 5.110695 6.010551 3.260504 4.432087 6.438028 2.073927 4.747858 7.582882 6.424173 2.647092 3.998769 2.046651 2.552744 2.785894 3.900501 2.614831 6.017954 4.955036 3.774664 6.477699 5.823434 4.841281 6.242742 7.007942 6.885046 5.811800 7.460264 7.910515 8.487592 5.889935 6.212871 7.475284 2.497255 4.704416 0.000000 5.248337 5.278031 2.738989 4.197322 2.140396 3.256622 7.090871 5.559494 7.597616 5.598910 7.055205 5.762017 7.059435 7.757023 5.289442 7.839189 9.271871 7.485644 6.294512 7.490983 2.875253 2.228677 3.266369 1.077560 4.720234 2.849303 7.498756 4.934122 8.686080 5.673870 4.892445 7.241904 7.754535 7.619065 8.863340 9.617492 9.672500 9.856846 6.484623 7.815989 8.209444 6.311410 8.313006 4.593556 0.000000 2.010716 2.013664 5.653572 4.387741 3.816260 2.504924 7.845752 6.846965 8.716895 7.997217 9.162758 6.569857 7.821275 8.730972 5.642593 8.256469 9.893092 8.094634 6.213445 7.515529 4.500406 3.516452 2.148468 4.303720 1.089977 4.879809 7.467179 6.087359 9.614948 8.367792 7.805520 9.591205 10.020029 9.264471 9.291325 9.630127 10.516813 10.595267 7.415272 7.668452 8.946409 5.826325 8.097679 3.653938 5.379722 0.000000 6.355845 6.413550 5.224989 6.327621 2.077786 3.306672 9.352269 7.879400 10.016922 8.001241 9.503017 8.148729 9.493341 9.877068 7.585895 10.260025 11.398454 9.341910 8.529051 9.810751 5.127384 3.960230 4.196361 2.637923 5.601610 1.089021 9.675933 7.102914 11.105813 7.932427 7.358405 9.738166 10.138251 9.760497 11.306676 11.701091 11.914522 11.884371 8.279778 9.601201 9.940636 8.376109 10.576283 6.452410 2.522801 5.809603 0.000000 6.096294 5.801231 6.002849 6.519760 2.093919 2.742370 10.095027 8.643160 10.763829 9.000213 10.454025 8.680735 10.043145 10.775085 7.880377 10.652839 12.253953 10.212306 8.642546 9.999918 5.564655 4.187799 3.902358 3.200347 5.075160 1.090835 10.252157 7.860122 11.839723 9.084117 8.367441 10.668095 11.198796 10.809252 11.724038 12.418791 12.787347 12.819841 9.197892 10.301307 10.895703 8.285738 10.654134 6.368761 3.565769 5.015101 1.781590 0.000000 5.726957 6.092027 5.960240 6.612072 2.090440 2.705329 9.592035 8.236710 10.469582 8.642903 10.168665 8.556262 9.954765 10.052032 7.973376 10.753630 11.524243 9.289522 8.951504 10.284191 5.585797 4.203033 3.887535 3.226959 5.032821 1.090410 9.753186 7.319974 11.538918 8.549211 8.173271 10.548540 10.799754 10.086905 11.826489 11.699344 12.168184 11.970793 8.247976 9.386644 9.849900 8.770198 11.061934 6.557035 3.608494 4.962926 1.781241 1.780421 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3718,.0576,2.5975;3.0908,1.9536,1.7414;.7965,-.3463,-1.7868;.8186,1.1354,-.0473;4.7366,-1.1871,-.819;4.8152,-.6373,.4053;-3.155,-.7518,.5414;-1.8123,-.6654,-.2518;-3.882,.255,-.4056;-2.27,-1.0593,-1.6926;-3.6923,-.4274,-1.7981;-1.6195,.8343,-.2634;-2.9014,1.4058,-.3549;-3.783,-2.141,.7264;-.4982,1.6513,-.1963;-3.0845,2.7785,-.3794;-5.1613,-2.0283,1.3946;-2.8576,-3.048,1.5509;-.6792,3.0445,-.2034;-1.9524,3.5988,-.2908;1.3776,.1751,-.844;2.7734,-.2257,-.5163;3.6356,-.0519,.6014;3.5368,-.969,-1.4007;3.4248,.6142,1.9152;5.8792,-1.9063,-1.3608;-3.0319,-.304,1.5353;-.9704,-1.2397,.1252;-4.9114,.5158,-.162;-2.3058,-2.1467,-1.7936;-1.5682,-.6813,-2.4321;-3.771,.2992,-2.6085;-4.4621,-1.1861,-1.9604;-3.9247,-2.6119,-.2519;-4.0769,3.2109,-.4453;-5.078,-1.5459,2.3748;-5.8579,-1.4408,.7912;-5.6045,-3.0169,1.5465;-1.8948,-3.2003,1.0571;-2.6629,-2.6097,2.5359;-3.3117,-4.031,1.7072;.1909,3.6897,-.1416;-2.0631,4.6773,-.2894;1.4241,1.6423,.5821;3.2796,-1.3387,-2.3796;4.3153,.5701,2.5423;5.6065,-2.3124,-2.3337;6.7259,-1.2274,-1.4713;6.1522,-2.7197,-.6878; 0.3294286 0.1171557 0.1068950 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= 725 725 725 725 725 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= 710 RedAO= T EigKep= 1.14D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.23D-07 NBFU= 706 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= 726 726 726 726 726 MxSgAt= 49 MxSgA2= 49. 1 9.07274664e-01 -1.25859562e+00 2.79771995e-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 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.009957493 0.001945975 -0.011134170 0.003573949 0.011134764 0.008574191 0.009769745 -0.007052364 0.013326381 -0.001901045 0.001449855 -0.005178662 -0.003835814 -0.010831949 0.004490029 -0.016811435 0.006364176 -0.008442330 0.001493719 -0.001530121 -0.005091579 -0.006855496 -0.003491822 -0.002955145 0.006882833 0.004178589 -0.000596337 -0.003733161 -0.004743158 0.006194746 0.004317873 -0.000667771 0.006549605 -0.002643355 -0.001715284 -0.000639754 0.002931175 0.001911922 0.000030640 0.000828314 -0.001886054 0.000930272 0.003200291 0.002242733 0.000062676 0.004670623 0.002510517 0.000733820 0.004449596 0.000230009 -0.000656199 -0.002285390 -0.003404541 -0.001536045 -0.004847481 0.003704086 -0.000620656 0.000433642 0.005491188 0.000536173 -0.008047162 0.000703878 -0.006345257 0.003972958 0.001596772 0.000104995 0.006995524 0.008888631 -0.002166421 0.007718724 -0.007587719 0.005712240 -0.011487544 -0.008599681 0.000088588 -0.005290099 -0.006635444 0.001779917 0.000031821 0.000062528 -0.000294320 -0.000466109 0.000747862 0.000565384 -0.000234614 0.000194308 -0.000117603 0.000161963 -0.000947774 -0.000362005 -0.001558760 0.000482741 -0.000049150 -0.000157800 0.001034019 0.000575000 0.000841954 -0.000594499 -0.000150436 -0.000067362 0.000037977 0.000141980 0.001291705 0.000420495 0.000196328 -0.000614487 0.000995529 -0.001816436 0.000727508 0.001106371 0.001150326 0.000761033 -0.001958756 -0.000311442 -0.001582967 -0.000164883 0.000829377 -0.000142842 0.001254640 -0.001805238 0.001268521 -0.001665001 -0.000265976 -0.001078294 0.000206290 -0.000275030 0.000048463 0.001582143 0.000085431 -0.002876949 0.002009189 -0.001758172 0.000457085 0.000393866 0.000208746 0.000003966 0.000616319 0.000202048 0.001093348 -0.000973607 0.001282310 -0.001395795 0.001306418 0.000327292 0.000030134 -0.000353360 -0.002110134 0.016811435 0.004183365 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1215.53133710434 -1215.53133857252 -0.000001468179 -1215.53133856811 0.000000004407 -1215.53133859074 -0.000000022631 -1215.53133859125 -0.000000000512 -1215.53133859151 -0.000000000255 -1215.53133859153 -0.000000000026 -1215.53133859149 0.000000000041 -1215.53133859164 -0.000000000151 -1215.53133859 9 1.210544611132e+03 -7.635297167356e+03 2.810953993549e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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) PT185947.300S 2022-07-22T16:55:33.000 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.096455 -0.077561 -0.283742 -0.060846 0.068775 -0.087687 -0.519141 0.323282 0.782374 -0.372272 -0.592471 -0.196648 -0.511437 0.187706 0.200594 0.165948 -0.562012 -0.535445 -0.022103 -0.415400 -0.632590 1.157946 -0.872715 -0.112776 -0.089724 -0.269223 0.134324 0.120769 0.118078 0.134436 0.175166 0.142343 0.142629 0.129103 0.107107 0.139017 0.133029 0.136332 0.134476 0.139700 0.136711 0.130816 0.122787 0.289188 0.145424 0.193764 0.152405 0.183540 0.182477 -0.00000 -24.70660 -24.70100 -19.09186 -14.42690 -14.36366 -14.34782 -10.35728 -10.28739 -10.24042 -10.23563 -10.23256 -10.21395 -10.20299 -10.17233 -10.17113 -10.17052 -10.17000 -10.16943 -10.16921 -10.16875 -10.16751 -10.16689 -10.15893 -10.15373 -10.15260 -10.15179 -1.27023 -1.21245 -1.09048 -1.04687 -0.94100 -0.88862 -0.88539 -0.83295 -0.82309 -0.78836 -0.77133 -0.75526 -0.73549 -0.71585 -0.70237 -0.68999 -0.67854 -0.65868 -0.62467 -0.61299 -0.61005 -0.59627 -0.57610 -0.57334 -0.56351 -0.55520 -0.54583 -0.53977 -0.52423 -0.51309 -0.51059 -0.50123 -0.49239 -0.47580 -0.46016 -0.45443 -0.45031 -0.44589 -0.44195 -0.43727 -0.43089 -0.43051 -0.42944 -0.42691 -0.41974 -0.41821 -0.41043 -0.39502 -0.39215 -0.38155 -0.37237 -0.36884 -0.36499 -0.35573 -0.35060 -0.34132 -0.33680 -0.33267 -0.32398 -0.32150 -0.31830 -0.31075 -0.29889 -0.29282 -0.28889 -0.27774 -0.26644 -0.23431 -0.22885 -0.04152 -0.02869 -0.00943 -0.00590 -0.00228 0.00469 0.01055 0.01496 0.01851 0.02495 0.02627 0.02881 0.03374 0.03543 0.03807 0.04235 0.04800 0.04907 0.05381 0.05600 0.05957 0.06305 0.06494 0.06740 0.07240 0.07440 0.08067 0.08161 0.08877 0.08948 0.09539 0.09739 0.09892 0.10079 0.10559 0.10624 0.10871 0.11222 0.11935 0.12142 0.12306 0.12528 0.12904 0.12966 0.13517 0.13852 0.14119 0.14435 0.14742 0.15144 0.15392 0.15642 0.15765 0.16175 0.16505 0.16725 0.16907 0.17090 0.17189 0.17471 0.17722 0.18043 0.18251 0.18500 0.18699 0.18871 0.19199 0.19343 0.19493 0.19616 0.19864 0.20148 0.20446 0.20687 0.21048 0.21205 0.21415 0.21651 0.22013 0.22071 0.22172 0.22632 0.22936 0.23259 0.23451 0.23534 0.23702 0.24014 0.24200 0.24431 0.24458 0.24645 0.25025 0.25233 0.25669 0.26000 0.26245 0.26449 0.26513 0.26885 0.27021 0.27607 0.27786 0.27911 0.28444 0.28830 0.28963 0.29154 0.29225 0.29506 0.29958 0.30626 0.30772 0.31171 0.31357 0.31505 0.31814 0.32075 0.32393 0.32814 0.33128 0.33574 0.33819 0.34116 0.34797 0.35085 0.35174 0.35929 0.36273 0.36364 0.37051 0.37288 0.37784 0.38328 0.39092 0.39155 0.39383 0.39696 0.40166 0.40561 0.41254 0.41739 0.41965 0.42053 0.42509 0.43346 0.44214 0.44608 0.45033 0.45106 0.46052 0.46371 0.47056 0.47242 0.48368 0.48478 0.49370 0.50015 0.50884 0.51402 0.51860 0.52397 0.52543 0.53357 0.53910 0.54871 0.55022 0.55978 0.56503 0.57029 0.57188 0.57628 0.58408 0.58967 0.59162 0.59630 0.60182 0.60455 0.61132 0.61525 0.61796 0.62701 0.63728 0.64214 0.64813 0.64970 0.65900 0.66054 0.66464 0.66632 0.66698 0.67529 0.67782 0.68770 0.69190 0.69455 0.69963 0.70306 0.70419 0.70840 0.70916 0.71394 0.71554 0.72183 0.72301 0.72616 0.72849 0.73282 0.73800 0.74330 0.74685 0.75455 0.75757 0.76185 0.77162 0.77308 0.77701 0.78036 0.78831 0.78976 0.79463 0.80034 0.80523 0.81433 0.82200 0.82516 0.82786 0.83432 0.83972 0.84449 0.85336 0.85776 0.86146 0.86955 0.87371 0.88066 0.88934 0.89339 0.89880 0.90228 0.91086 0.91354 0.93576 0.94062 0.95576 0.95820 0.96443 0.97876 0.98521 0.98926 0.99726 0.99752 1.00337 1.01599 1.01859 1.02581 1.03635 1.05052 1.05390 1.06412 1.07624 1.08073 1.08434 1.09329 1.10024 1.10990 1.11373 1.11919 1.14780 1.15277 1.15748 1.17567 1.18207 1.18548 1.19998 1.21347 1.22278 1.23131 1.24968 1.25906 1.26470 1.27912 1.29009 1.29648 1.30961 1.31778 1.32686 1.34267 1.35076 1.35641 1.36949 1.37307 1.38495 1.40062 1.40656 1.41683 1.43057 1.43239 1.43951 1.44607 1.45215 1.46481 1.46805 1.47839 1.48494 1.49422 1.49863 1.50466 1.50616 1.51015 1.52159 1.52537 1.52774 1.53514 1.53692 1.54008 1.54612 1.55206 1.56304 1.57177 1.57364 1.58360 1.58532 1.58976 1.60115 1.60451 1.61132 1.61293 1.61762 1.62791 1.62910 1.63555 1.64350 1.64964 1.65229 1.65848 1.66802 1.67875 1.68595 1.69024 1.70619 1.70759 1.71536 1.72592 1.73085 1.73523 1.73576 1.74417 1.75803 1.76352 1.76629 1.76970 1.78397 1.78790 1.79477 1.80098 1.80497 1.81771 1.82601 1.83610 1.83773 1.84385 1.85056 1.85874 1.86208 1.87164 1.87821 1.88529 1.89460 1.89731 1.91423 1.91571 1.91720 1.92886 1.94306 1.94474 1.94969 1.95501 1.96695 1.97096 1.98478 1.99573 2.00058 2.00479 2.00538 2.01069 2.02342 2.03625 2.04645 2.04945 2.05373 2.05784 2.06543 2.07291 2.09268 2.10001 2.11223 2.13095 2.13395 2.15201 2.16099 2.16547 2.16577 2.17924 2.18388 2.18808 2.20671 2.21476 2.23011 2.25073 2.26031 2.27289 2.28576 2.29190 2.30021 2.31425 2.33209 2.33727 2.34584 2.35237 2.36506 2.37919 2.38191 2.40350 2.41893 2.43425 2.43715 2.44440 2.45102 2.45331 2.45641 2.46983 2.47601 2.48089 2.49691 2.51156 2.51659 2.51920 2.53616 2.54289 2.55141 2.55935 2.56303 2.57620 2.58220 2.59545 2.60648 2.61207 2.61893 2.62254 2.64232 2.64552 2.64973 2.68549 2.69049 2.70473 2.70798 2.70946 2.72023 2.72623 2.74000 2.74206 2.74650 2.74762 2.75581 2.76647 2.76862 2.77645 2.77723 2.79023 2.79774 2.80301 2.81928 2.82952 2.84218 2.85413 2.86126 2.87548 2.88336 2.90088 2.90616 2.91160 2.92166 2.92711 2.94194 2.94886 2.95437 2.96307 2.97575 2.99739 3.00425 3.00657 3.01339 3.02437 3.04165 3.04408 3.05207 3.06715 3.07071 3.07690 3.08360 3.10356 3.14422 3.15657 3.17031 3.17602 3.18664 3.21758 3.22365 3.24364 3.27932 3.29947 3.29983 3.33478 3.36070 3.38863 3.39807 3.41385 3.41679 3.44125 3.45961 3.48816 3.50822 3.56356 3.58328 3.60976 3.63464 3.67005 3.68068 3.68675 3.69978 3.70397 3.74281 3.76805 3.77546 3.79237 3.79629 3.80446 3.81084 3.82408 3.84416 3.84517 3.84676 3.85582 3.89495 3.93757 3.97707 3.98319 3.99150 3.99523 4.01187 4.04084 4.05388 4.07026 4.07712 4.11139 4.13349 4.13939 4.18157 4.21337 4.25909 4.28865 4.30761 4.33559 4.36687 4.37647 4.39244 4.44222 4.59401 4.76470 4.87324 4.87709 4.90993 4.97797 5.12093 5.14916 5.33846 5.43054 5.84484 6.35326 6.38986 6.41272 6.46308 6.56839 6.66980 23.62386 23.66111 23.75206 23.84880 23.86634 23.89618 23.89859 23.90591 23.94633 23.95914 23.96976 23.98416 23.99599 23.99941 24.02639 24.10181 24.11033 24.11423 24.14797 24.21533 35.49183 35.56627 35.66735 50.06418 66.75913 66.82758 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.078497 -0.108922 -0.273829 0.100756 0.045023 -0.077195 -0.337183 0.184424 0.616322 -0.419681 -0.530093 -0.150672 -0.330445 0.154331 -0.057169 0.048545 -0.553011 -0.546184 -0.037189 -0.173819 -0.711109 1.197428 -1.088442 0.021365 -0.053694 -0.262722 0.133536 0.130861 0.117977 0.134889 0.177742 0.140928 0.141060 0.128276 0.108893 0.139627 0.133093 0.136606 0.137275 0.141415 0.136570 0.111998 0.123231 0.278567 0.147472 0.198647 0.153478 0.184276 0.185247 -0.00000 1.40449252e+00 -6.64884410e-01 -3.96293015e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.5699 -1.6900 -1.0073 4.0761 -124.6612 -148.2248 -158.2051 -10.0496 -10.1611 4.1068 19.0358 -4.5278 -14.5080 -10.0496 -10.1611 4.1068 192.0465 10.3689 23.0284 33.7022 -57.6439 -58.8718 52.9787 -10.5120 -6.0538 25.5530 -9269.4356 -2737.7330 -1536.4447 -381.2727 -248.3921 -69.0050 42.3994 40.4686 69.0005 -2005.5992 -1816.9805 -761.3875 151.8161 -24.8558 -18.9076 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1215.5313386 3.363E-9 3.944E-6 13.6452545,-1.8155452,-11.8297093,9.2913021,-5.6146839,-1.9071135 C01 [X(C20H23F2N3O1)] -1.3769745 -0.7802882 0.2584764 -0.000002286 0.000000916 0.000001550 0.000000389 0.000005273 0.000000412 -0.000003998 0.000005370 -0.000006604 0.000010081 0.000009597 -0.000000859 0.000001220 0.000001404 0.000020225 0.000008104 0.000009845 -0.000018686 -0.000000197 0.000001850 0.000002058 0.000001228 -0.000002470 0.000002674 0.000000505 -0.000002694 0.000000150 0.000001492 0.000002498 -0.000003132 -0.000003014 0.000001694 -0.000000916 0.000006166 0.000003579 -0.000000242 -0.000004672 -0.000002167 -0.000003634 0.000000130 -0.000000966 0.000000696 -0.000009793 0.000000915 0.000000146 -0.000001660 0.000001794 0.000000059 -0.000000010 -0.000000617 0.000000452 0.000000602 0.000001452 0.000001342 0.000002478 -0.000002864 0.000000955 0.000001719 -0.000003157 -0.000001351 -0.000001556 -0.000006419 0.000011077 0.000005699 -0.000007282 -0.000002566 -0.000010963 -0.000005306 0.000005981 0.000000840 0.000002024 -0.000008885 -0.000006765 -0.000007489 -0.000006413 0.000000792 -0.000001845 -0.000001411 -0.000000158 -0.000000936 0.000000168 0.000000411 0.000000105 -0.000000735 -0.000000699 0.000000644 0.000000503 -0.000000481 0.000000428 0.000001212 0.000000119 0.000000126 -0.000000132 0.000000449 -0.000000021 0.000000194 -0.000000308 0.000000540 0.000000426 -0.000000800 0.000000018 0.000000390 -0.000000465 -0.000000509 -0.000000516 -0.000000018 -0.000000648 0.000000893 -0.000000601 -0.000000590 0.000000393 -0.000000264 0.000000044 0.000000948 0.000000383 -0.000000113 0.000000854 0.000000476 -0.000000915 0.000000927 0.000000257 -0.000000102 0.000001331 0.000000366 -0.000000008 -0.000001140 -0.000000864 -0.000000378 -0.000001076 0.000003810 -0.000004624 0.000002551 -0.000000373 0.000002061 0.000001336 0.000001427 -0.000002022 -0.000000682 0.000000463 0.000000906 -0.000000794 0.000000014 -0.000000223 -0.000000124 0.000000324 0.000001284 -0.000000004 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; Gaussian 16 GINC-GARGANTILLA APULGAR Optimization isopyrazam_anti CONF24 gas EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; Optimization isopyrazam_anti CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/gas/CONF24/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3727 1.3913 1.224 1.4221 1.3673 1.0097 1.3444 1.3511 1.4548 1.3314 1.5619 1.5617 1.5357 1.097 1.5622 1.5121 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0873 1.0913 1.0929 1.4065 1.389 1.385 1.5358 1.5358 1.095 1.405 1.4009 1.0846 1.0956 1.093 1.094 1.0927 1.0956 1.0941 1.3913 1.085 1.0842 1.4888 1.4222 1.3847 1.488 1.0776 1.09 1.089 1.0908 1.0904 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9049 116.0081 118.0763 112.207 119.6951 128.0967 105.2001 93.2389 117.5667 109.9419 117.7638 109.7858 107.8177 101.6886 99.6943 117.427 106.2843 114.4371 115.3419 101.6799 99.6921 117.2926 106.4683 114.7419 115.0141 103.1422 110.2304 110.5156 111.5294 113.6813 107.7166 103.1392 111.2406 110.4892 112.6839 111.78 107.5334 106.6939 133.3118 119.9928 106.4899 131.8866 121.6231 110.6721 110.6367 109.5326 110.5202 107.707 107.6737 122.6299 118.6562 118.622 118.1907 121.1458 120.6526 110.6931 111.7908 110.9583 107.7976 107.7241 107.7086 111.7584 110.6997 110.9261 107.7842 107.7605 107.7471 120.8822 119.0822 120.0354 120.6768 120.0019 119.3213 123.636 120.0014 116.362 135.1107 121.3828 103.4954 111.5645 116.8952 131.51 107.5324 123.2104 129.2567 105.5623 111.4653 108.9263 110.7702 107.8784 111.9723 108.6802 109.8593 109.6058 109.6303 109.6301 109.4205 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 46 52.5661 -130.9725 -139.2013 37.2601 0.2819 -179.992 -167.7286 11.9975 -0.2175 179.4139 0.2936 -179.4522 -179.2995 0.9546 177.4495 -62.6052 57.6555 -2.9841 116.9612 -122.7781 0.0582 178.284 -56.1532 52.8628 178.1629 67.6173 176.6333 -58.0666 -168.5615 -59.5455 65.7546 56.1717 -53.035 -177.8426 -67.4439 -176.6505 58.5418 168.7163 59.5096 -65.298 -174.0851 63.0645 -55.479 -63.7903 173.3593 54.8157 61.0308 -61.8196 179.6368 35.8342 -83.3534 157.6878 -68.0275 172.7848 53.8261 163.4717 44.2841 -74.6747 -34.691 144.855 70.6178 -109.8362 -161.4142 18.1318 -35.8911 -156.9293 83.7112 68.0177 -53.0205 -172.38 -163.5401 75.4217 -43.9378 35.0859 -144.6748 -70.2602 109.9791 161.457 -18.3036 0.0313 120.0832 -118.6764 118.3152 -121.6329 -0.3925 -119.6635 0.3883 121.6287 -0.2391 179.5516 -179.8577 -0.067 -2.1606 -178.6232 177.3373 0.8747 178.834 0.0302 -0.8964 -179.7002 -59.3387 60.8526 -178.8876 63.5793 -176.2294 -55.9696 -179.0473 -58.856 61.4037 -61.1552 59.0019 178.563 175.9061 -63.9367 55.6244 58.5123 178.6695 -61.7694 -177.3258 2.8055 -0.7206 179.4108 1.0502 -178.9118 179.8602 -0.1018 -0.2525 179.7097 179.6148 -0.4229 -165.1877 13.3812 15.0756 -166.3555 178.8541 0.9672 0.1105 -177.7763 -179.1952 0.5301 -0.2338 179.4915 -119.5294 123.2477 2.7786 58.2669 -58.9559 -179.4251 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00020 0.00152 0.00299 0.00318 0.00319 0.00454 0.00522 0.00570 0.00769 0.00855 0.00943 0.01113 0.01442 0.01452 0.01535 0.01704 0.01752 0.01833 0.01950 0.01998 0.02152 0.02294 0.02545 0.02705 0.02797 0.02890 0.03313 0.03647 0.03746 0.03831 0.03972 0.04015 0.04285 0.04315 0.04579 0.04592 0.04653 0.04709 0.04734 0.04748 0.04832 0.04855 0.05001 0.05344 0.05803 0.05839 0.06002 0.06068 0.06893 0.07311 0.07804 0.08649 0.08993 0.09060 0.10039 0.10678 0.10936 0.11556 0.11786 0.11881 0.12197 0.12304 0.12439 0.13214 0.13326 0.13715 0.13800 0.14332 0.14434 0.15139 0.15733 0.15935 0.16542 0.17414 0.17625 0.18175 0.18320 0.18702 0.18903 0.19307 0.19454 0.19842 0.19994 0.20445 0.20695 0.21769 0.21936 0.22040 0.22962 0.23603 0.24379 0.24987 0.25765 0.26146 0.27766 0.28103 0.29553 0.30240 0.30600 0.31046 0.31487 0.32391 0.32720 0.32729 0.32821 0.32921 0.33008 0.33041 0.33250 0.33356 0.33746 0.33762 0.33929 0.34024 0.34072 0.34146 0.34173 0.34385 0.34650 0.34778 0.34850 0.34903 0.35511 0.35604 0.35939 0.37213 0.37476 0.38960 0.39779 0.41834 0.42529 0.43140 0.44725 0.45469 0.45867 0.47457 0.49081 0.52173 0.55538 0.56480 0.79042 Angle between quadratic step and forces= 77.41 degrees. 1 2 0.00020272 0.00000002 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 2.59404 2.62915 2.31307 2.68734 2.58389 1.90813 2.54052 2.55314 2.74913 2.51607 2.95156 2.95122 2.90213 2.07306 2.95216 2.85740 2.05348 2.95224 2.85876 2.05888 2.94786 2.06476 2.05474 2.06224 2.06535 2.65791 2.62476 2.61733 2.90222 2.90231 2.06921 2.65501 2.64725 2.04959 2.07040 2.06544 2.06741 2.06492 2.07031 2.06748 2.62916 2.05027 2.04886 2.81342 2.68759 2.61674 2.81193 2.03629 2.05976 2.05795 2.06138 2.06058 2.18000 2.02472 2.06082 1.95838 2.08907 2.23571 1.83609 1.62733 2.05193 1.91885 2.05537 1.91612 1.88177 1.77480 1.73999 2.04949 1.85501 1.99730 2.01310 1.77465 1.73995 2.04714 1.85822 2.00262 2.00737 1.80017 1.92388 1.92886 1.94656 1.98411 1.88001 1.80012 1.94152 1.92840 1.96671 1.95093 1.87681 1.86216 2.32673 2.09427 1.85860 2.30186 2.12272 1.93159 1.93097 1.91170 1.92894 1.87984 1.87926 2.14029 2.07094 2.07034 2.06282 2.11439 2.10578 1.93196 1.95112 1.93659 1.88142 1.88014 1.87987 1.95055 1.93208 1.93603 1.88119 1.88078 1.88054 2.10979 2.07838 2.09501 2.10621 2.09443 2.08255 2.15786 2.09442 2.03090 2.35813 2.11853 1.80634 1.94717 2.04021 2.29528 1.87679 2.15043 2.25595 1.84241 1.94544 1.90112 1.93331 1.88283 1.95429 1.89683 1.91741 1.91298 1.91341 1.91341 1.90975 0.91745 -2.28590 -2.42952 0.65031 0.00492 -3.14145 -2.92742 0.20940 -0.00380 3.13136 0.00512 -3.13203 -3.12937 0.01666 3.09708 -1.09267 1.00628 -0.05208 2.04136 -2.14288 0.00102 3.11164 -0.98006 0.92263 3.10953 1.18014 3.08283 -1.01345 -2.94195 -1.03927 1.14763 0.98038 -0.92564 -3.10394 -1.17712 -3.08313 1.02175 2.94465 1.03864 -1.13967 -3.03836 1.10068 -0.96829 -1.11335 3.02569 0.95671 1.06519 -1.07896 3.13525 0.62542 -1.45479 2.75217 -1.18730 3.01566 0.93944 2.85312 0.77290 -1.30332 -0.60547 2.52820 1.23251 -1.91700 -2.81721 0.31646 -0.62642 -2.73893 1.46104 1.18713 -0.92538 -3.00860 -2.85431 1.31636 -0.76686 0.61236 -2.52505 -1.22627 1.91950 2.81796 -0.31946 0.00055 2.09585 -2.07129 2.06499 -2.12289 -0.00685 -2.08852 0.00678 2.12282 -0.00417 3.13377 -3.13911 -0.00117 -0.03771 -3.11756 3.09512 0.01527 3.12124 0.00053 -0.01565 -3.13636 -1.03566 1.06208 -3.12218 1.10967 -3.07578 -0.97685 -3.12497 -1.02723 1.07170 -1.06736 1.02978 3.11651 3.07014 -1.11591 0.97083 1.02123 3.11837 -1.07808 -3.09492 0.04897 -0.01258 3.13131 0.01833 -3.12260 3.13915 -0.00178 -0.00441 3.13653 3.13487 -0.00738 -2.88307 0.23355 0.26312 -2.90345 3.12159 0.01688 0.00193 -3.10278 -3.12755 0.00925 -0.00408 3.13272 -2.08618 2.15108 0.04850 1.01695 -1.02898 -3.13156 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00002 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00003 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00004 0.00005 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00003 0.00004 -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 -0.00001 -0.00002 -0.00001 0.00003 0.00007 -0.00005 -0.00001 0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00000 0.00020 0.00021 0.00030 0.00031 0.00005 0.00004 -0.00006 -0.00007 -0.00006 0.00011 0.00004 -0.00003 -0.00015 -0.00022 -0.00035 -0.00034 -0.00034 -0.00015 -0.00014 -0.00014 0.00006 0.00006 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00009 0.00010 0.00011 0.00009 0.00009 0.00010 0.00010 0.00010 0.00011 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 0.00000 0.00006 0.00000 0.00006 0.00001 0.00007 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00000 -0.00006 0.00000 -0.00006 0.00000 -0.00006 0.00001 0.00003 0.00002 0.00003 0.00004 0.00003 0.00001 0.00003 0.00002 0.00000 0.00005 -0.00005 0.00000 -0.00006 -0.00007 0.00001 -0.00001 0.00006 0.00005 -0.00000 -0.00002 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00004 0.00005 0.00005 0.00004 0.00005 0.00004 0.00004 0.00004 0.00004 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00008 0.00009 -0.00007 0.00010 0.00011 0.00012 -0.00004 -0.00003 -0.00013 -0.00005 0.00000 0.00008 -0.00012 -0.00011 -0.00012 -0.00013 -0.00011 -0.00012 -0.00001 0.00002 -0.00001 -0.00002 0.00001 -0.00001 0.00004 -0.00002 -0.00001 -0.00003 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00004 0.00005 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00003 0.00004 -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 -0.00001 -0.00002 -0.00001 0.00003 0.00007 -0.00005 -0.00001 0.00002 -0.00003 0.00001 0.00002 0.00000 -0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00000 -0.00000 0.00020 0.00021 0.00030 0.00031 0.00005 0.00004 -0.00006 -0.00007 -0.00006 0.00011 0.00004 -0.00003 -0.00015 -0.00022 -0.00035 -0.00034 -0.00034 -0.00015 -0.00014 -0.00014 0.00006 0.00006 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00009 0.00010 0.00011 0.00009 0.00009 0.00010 0.00010 0.00010 0.00011 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00002 0.00000 0.00006 0.00000 0.00006 0.00001 0.00007 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00000 -0.00006 0.00000 -0.00006 0.00000 -0.00006 0.00001 0.00003 0.00002 0.00003 0.00004 0.00003 0.00001 0.00003 0.00002 0.00000 0.00005 -0.00005 0.00000 -0.00006 -0.00007 0.00001 -0.00001 0.00006 0.00005 -0.00000 -0.00002 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00005 0.00004 0.00005 0.00005 0.00004 0.00005 0.00004 0.00004 0.00004 0.00004 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00008 0.00009 -0.00007 0.00010 0.00011 0.00012 -0.00004 -0.00003 -0.00013 -0.00005 0.00000 0.00008 -0.00012 -0.00011 -0.00012 -0.00013 -0.00011 -0.00012 2.59403 2.62917 2.31306 2.68732 2.58390 1.90811 2.54056 2.55312 2.74913 2.51604 2.95156 2.95121 2.90213 2.07306 2.95215 2.85740 2.05348 2.95223 2.85876 2.05887 2.94786 2.06476 2.05474 2.06224 2.06535 2.65789 2.62477 2.61734 2.90222 2.90230 2.06921 2.65499 2.64724 2.04959 2.07039 2.06544 2.06740 2.06492 2.07030 2.06748 2.62916 2.05027 2.04886 2.81342 2.68760 2.61673 2.81193 2.03629 2.05976 2.05795 2.06138 2.06057 2.17997 2.02477 2.06083 1.95837 2.08907 2.23572 1.83608 1.62733 2.05191 1.91885 2.05537 1.91613 1.88177 1.77480 1.73999 2.04948 1.85500 1.99732 2.01310 1.77465 1.73995 2.04715 1.85822 2.00263 2.00737 1.80017 1.92389 1.92886 1.94656 1.98411 1.88000 1.80012 1.94152 1.92839 1.96671 1.95093 1.87681 1.86216 2.32672 2.09428 1.85860 2.30186 2.12272 1.93160 1.93097 1.91171 1.92894 1.87985 1.87926 2.14026 2.07098 2.07034 2.06281 2.11439 2.10579 1.93196 1.95112 1.93659 1.88142 1.88014 1.87987 1.95055 1.93208 1.93602 1.88119 1.88078 1.88054 2.10979 2.07838 2.09501 2.10621 2.09443 2.08254 2.15784 2.09441 2.03093 2.35819 2.11848 1.80632 1.94718 2.04018 2.29529 1.87681 2.15043 2.25593 1.84240 1.94544 1.90112 1.93329 1.88285 1.95429 1.89682 1.91743 1.91296 1.91341 1.91341 1.90975 0.91765 -2.28569 -2.42922 0.65062 0.00497 -3.14142 -2.92748 0.20933 -0.00385 3.13148 0.00516 -3.13207 -3.12952 0.01644 3.09673 -1.09300 1.00594 -0.05223 2.04122 -2.14302 0.00107 3.11170 -0.98005 0.92262 3.10952 1.18015 3.08283 -1.01346 -2.94196 -1.03928 1.14761 0.98038 -0.92563 -3.10393 -1.17710 -3.08311 1.02177 2.94466 1.03865 -1.13965 -3.03826 1.10078 -0.96819 -1.11326 3.02578 0.95682 1.06529 -1.07885 3.13537 0.62541 -1.45481 2.75215 -1.18731 3.01565 0.93943 2.85311 0.77288 -1.30334 -0.60547 2.52826 1.23251 -1.91694 -2.81720 0.31653 -0.62643 -2.73895 1.46102 1.18712 -0.92541 -3.00862 -2.85433 1.31633 -0.76688 0.61236 -2.52511 -1.22627 1.91944 2.81796 -0.31951 0.00056 2.09587 -2.07127 2.06502 -2.12286 -0.00682 -2.08851 0.00681 2.12284 -0.00417 3.13382 -3.13916 -0.00117 -0.03777 -3.11764 3.09513 0.01526 3.12131 0.00058 -0.01565 -3.13638 -1.03560 1.06213 -3.12212 1.10971 -3.07574 -0.97681 -3.12492 -1.02719 1.07174 -1.06732 1.02982 3.11656 3.07018 -1.11586 0.97087 1.02127 3.11841 -1.07804 -3.09492 0.04896 -0.01257 3.13131 0.01834 -3.12260 3.13917 -0.00177 -0.00442 3.13653 3.13487 -0.00737 -2.88315 0.23364 0.26305 -2.90335 3.12171 0.01700 0.00189 -3.10282 -3.12767 0.00920 -0.00408 3.13279 -2.08631 2.15097 0.04838 1.01682 -1.02909 -3.13168 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.001081 0.000203 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.605735e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 23 24 25 26 26 26 25 25 21 15 21 44 6 24 26 23 8 9 14 27 10 12 28 11 13 29 11 30 31 32 33 13 15 16 17 18 34 19 20 35 36 37 38 39 40 41 20 42 43 22 23 24 25 45 46 47 48 49 1.3727 1.3913 1.224 1.4221 1.3673 1.0097 1.3444 1.3511 1.4548 1.3314 1.5619 1.5617 1.5357 1.097 1.5622 1.5121 1.0867 1.5623 1.5128 1.0895 1.5599 1.0926 1.0873 1.0913 1.0929 1.4065 1.389 1.385 1.5358 1.5358 1.095 1.405 1.4009 1.0846 1.0956 1.093 1.094 1.0927 1.0956 1.0941 1.3913 1.085 1.0842 1.4888 1.4222 1.3847 1.488 1.0776 1.09 1.089 1.0908 1.0904 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 15 15 21 6 6 24 5 8 8 8 9 9 14 7 7 7 10 10 12 7 7 7 11 11 13 8 8 8 11 11 30 9 9 9 10 10 32 8 8 13 9 9 12 7 7 7 17 17 18 4 4 12 13 13 20 14 14 14 36 36 37 14 14 14 39 39 40 15 15 20 16 16 19 3 3 4 21 21 23 6 6 22 5 5 22 1 1 1 2 2 23 5 5 5 47 47 48 4 4 4 5 5 5 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 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 21 44 44 24 26 26 23 9 14 27 14 27 27 10 12 28 12 28 28 11 13 29 13 29 29 11 30 31 30 31 31 10 32 33 32 33 33 13 15 15 12 16 16 17 18 34 18 34 34 12 19 19 20 35 35 36 37 38 37 38 38 39 40 41 40 41 41 20 42 42 19 43 43 4 22 22 23 24 24 22 25 25 22 45 45 2 23 46 23 46 46 47 48 49 48 49 49 124.9049 116.0081 118.0763 112.207 119.6951 128.0967 105.2001 93.2389 117.5667 109.9419 117.7638 109.7858 107.8177 101.6886 99.6943 117.427 106.2843 114.4371 115.3419 101.6799 99.6921 117.2926 106.4683 114.7419 115.0141 103.1422 110.2304 110.5156 111.5294 113.6813 107.7166 103.1392 111.2406 110.4892 112.6839 111.78 107.5334 106.6939 133.3118 119.9928 106.4899 131.8866 121.6231 110.6721 110.6367 109.5326 110.5202 107.707 107.6737 122.6299 118.6562 118.622 118.1907 121.1458 120.6526 110.6931 111.7908 110.9583 107.7976 107.7241 107.7086 111.7584 110.6997 110.9261 107.7842 107.7605 107.7471 120.8822 119.0822 120.0354 120.6768 120.0019 119.3213 123.636 120.0014 116.362 135.1107 121.3828 103.4954 111.5645 116.8952 131.51 107.5324 123.2104 129.2567 105.5623 111.4653 108.9263 110.7702 107.8784 111.9723 108.6802 109.8593 109.6058 109.6303 109.6301 109.4205 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 21 21 44 44 15 15 44 44 24 26 6 6 26 26 6 6 6 24 24 24 5 5 9 9 9 14 14 14 27 27 27 8 8 8 14 14 14 27 27 27 8 8 8 9 9 9 27 27 27 7 7 7 12 12 12 28 28 28 7 7 10 10 28 28 7 7 7 13 13 13 29 29 29 7 7 11 11 29 29 8 8 8 30 30 30 31 31 31 8 8 15 15 8 8 13 13 9 9 12 12 7 7 7 18 18 18 34 34 34 7 7 7 17 17 17 34 34 34 4 4 12 12 13 13 35 35 15 15 42 42 3 3 4 4 21 21 24 24 21 21 23 23 6 6 6 22 22 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 21 21 21 21 22 22 22 22 22 22 22 22 23 23 23 23 23 15 15 15 15 21 21 21 21 6 6 24 24 24 24 26 26 26 26 26 26 23 23 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 12 19 12 19 3 22 3 22 23 23 22 45 22 45 47 48 49 47 48 49 22 25 10 12 28 10 12 28 10 12 28 11 13 29 11 13 29 11 13 29 17 18 34 17 18 34 17 18 34 11 30 31 11 30 31 11 30 31 13 15 13 15 13 15 10 32 33 10 32 33 10 32 33 12 16 12 16 12 16 9 32 33 9 32 33 9 32 33 9 16 9 16 4 19 4 19 20 35 20 35 36 37 38 36 37 38 36 37 38 39 40 41 39 40 41 39 40 41 20 42 20 42 19 43 19 43 16 43 16 43 23 24 23 24 6 25 6 25 5 45 5 45 1 2 46 1 2 52.5661 -130.9725 -139.2013 37.2601 0.2819 -179.992 -167.7286 11.9975 -0.2175 179.4139 0.2936 -179.4522 -179.2995 0.9546 177.4495 -62.6052 57.6555 -2.9841 116.9612 -122.7781 0.0582 178.284 -56.1532 52.8628 178.1629 67.6173 176.6333 -58.0666 -168.5615 -59.5455 65.7546 56.1717 -53.035 -177.8426 -67.4439 -176.6505 58.5418 168.7163 59.5096 -65.298 -174.0851 63.0645 -55.479 -63.7903 173.3593 54.8157 61.0308 -61.8196 179.6368 35.8342 -83.3534 157.6878 -68.0275 172.7848 53.8261 163.4717 44.2841 -74.6747 -34.691 144.855 70.6178 -109.8362 -161.4142 18.1318 -35.8911 -156.9293 83.7112 68.0177 -53.0205 -172.38 -163.5401 75.4217 -43.9378 35.0859 -144.6748 -70.2602 109.9791 161.457 -18.3036 0.0313 120.0832 -118.6764 118.3152 -121.6329 -0.3925 -119.6635 0.3883 121.6287 -0.2391 179.5516 -179.8577 -0.067 -2.1606 -178.6232 177.3373 0.8747 178.834 0.0302 -0.8964 -179.7002 -59.3387 60.8526 -178.8876 63.5793 -176.2294 -55.9696 -179.0473 -58.856 61.4037 -61.1552 59.0019 178.563 175.9061 -63.9367 55.6244 58.5123 178.6695 -61.7694 -177.3258 2.8055 -0.7206 179.4108 1.0502 -178.9118 179.8602 -0.1018 -0.2525 179.7097 179.6148 -0.4229 -165.1877 13.3812 15.0756 -166.3555 178.8541 0.9672 0.1105 -177.7763 -179.1952 0.5301 -0.2338 179.4915 -119.5294 123.2477 2.7786 58.2669 -58.9559 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 736 A 710 A 710 1120 736 95 95 2398.3213311667 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 -0.0541070836 0.000000 2.201084 0.000000 4.676158 4.796011 0.000000 3.250963 3.005277 2.285165 0.000000 4.337531 4.373610 4.143437 4.619576 0.000000 3.355443 3.386951 4.586923 4.395458 1.344384 0.000000 5.952089 6.911533 4.604256 4.438221 8.019811 7.972165 0.000000 5.113475 5.905315 3.043631 3.194775 6.594085 6.660051 1.561900 0.000000 6.940208 7.490976 4.914961 4.795726 8.748130 8.780317 1.561719 2.270270 0.000000 6.418588 7.043336 3.149696 4.130820 7.062002 7.401295 2.422542 1.562215 2.445817 0.000000 7.505307 8.013029 4.489553 5.084940 8.519533 8.790723 2.422283 2.445837 1.562256 1.559942 0.000000 4.971695 5.240124 3.090522 2.466097 6.692856 6.634569 2.349740 1.512073 2.339807 2.460002 2.871248 0.000000 6.191943 6.371893 4.335220 3.742457 8.079419 8.018563 2.350104 2.342321 1.512791 2.874856 2.463561 1.406504 0.000000 6.798225 8.065084 5.523508 5.701646 8.711037 8.734618 1.535742 2.649180 2.651782 3.051405 3.052531 3.809604 3.811344 0.000000 4.310688 4.089912 2.862870 1.422078 5.987263 5.816499 3.657556 2.664009 3.666514 3.567276 4.133905 1.388964 2.420874 5.101277 0.000000 6.784916 6.581203 5.177508 4.247793 8.779976 8.642194 3.649048 3.673512 2.646640 4.137199 3.558091 2.437092 1.385034 5.090358 2.827147 0.000000 7.908468 9.169094 6.960240 6.917151 10.177175 10.121409 2.526341 3.972867 3.176584 4.339257 3.861871 4.846397 4.467755 1.535789 6.149348 5.528545 0.000000 6.171364 7.774022 5.638378 5.793919 8.170102 8.123738 2.525840 3.165297 3.973246 3.849715 4.333585 4.460554 4.844592 1.535836 5.540991 6.142038 2.524100 0.000000 5.106390 4.380148 4.022761 2.431566 6.900515 6.641915 4.593060 3.879388 4.252053 4.646488 4.865834 2.402656 2.765187 6.114544 1.404969 2.426286 6.955243 6.703817 0.000000 6.291309 5.680709 5.035632 3.715596 8.241721 8.014283 4.589834 4.266646 3.862334 4.874800 4.637850 2.784593 2.390378 6.109926 2.432335 1.400863 6.693402 6.956348 1.391293 0.000000 3.584170 3.575339 1.224025 1.367338 3.624813 3.746734 4.829342 3.351457 5.278353 3.943148 5.193934 3.123122 4.479189 5.870439 2.473302 5.186832 7.254115 5.836086 3.588138 4.807941 0.000000 3.152297 3.153904 2.353116 2.427753 2.206805 2.277586 6.044978 4.614358 6.673640 5.245476 6.594691 4.526049 5.906875 6.942614 3.785365 6.584725 8.358230 6.629231 4.765836 6.083633 1.488797 0.000000 2.365042 2.370266 3.721642 3.125008 2.125733 1.331445 6.826790 5.548304 7.590865 6.415076 7.719891 5.398931 6.765406 7.708144 4.541485 7.357396 9.050922 7.213805 5.371478 6.734106 2.690615 1.422210 0.000000 4.289104 4.314314 2.836594 3.694464 1.351064 2.237349 6.971297 5.479504 7.584600 5.814839 7.260275 5.579649 6.941426 7.712192 4.959605 7.676447 9.197370 7.343139 5.942825 7.226864 2.506214 1.384721 2.204382 0.000000 1.372707 1.391289 4.640679 3.303868 3.527272 2.404027 6.859129 5.810453 7.674946 6.946122 8.094949 5.499087 6.767655 7.807555 4.574337 7.233268 8.998609 7.281026 5.219040 6.533663 3.463791 2.653668 1.488009 3.676195 0.000000 5.641546 5.683102 5.333828 6.048767 1.454779 2.421049 9.304232 7.869541 10.043130 8.199871 9.695024 8.058901 9.438273 9.887927 7.394876 10.161608 11.379788 9.279723 8.298439 9.632492 4.986414 3.630941 3.510454 2.523321 4.807214 0.000000 5.518894 6.528910 5.068961 4.404864 8.165275 7.935013 1.097018 2.193575 2.191413 3.401520 3.400460 2.554592 2.552137 2.143122 3.638865 3.629094 2.743564 2.749535 4.446415 4.442069 5.033270 6.157651 6.737236 7.225622 6.532746 9.505927 0.000000 4.354888 5.413186 2.752356 2.978501 5.784770 5.823570 2.276821 1.086655 3.315581 2.241851 3.430434 2.207654 3.310265 3.014124 2.946878 4.568312 4.449369 2.977272 4.306650 4.954617 2.907502 3.931370 4.780406 4.766122 5.095024 7.040566 2.667173 0.000000 7.801830 8.350168 5.996865 5.764524 9.819081 9.811070 2.277367 3.317724 1.089510 3.435156 2.247763 3.308818 2.206677 3.020073 4.557036 2.916257 2.992953 4.455594 4.930231 4.275189 6.334954 7.728602 8.599697 8.666615 8.591683 11.123876 2.661844 4.323833 0.000000 6.783812 7.644102 3.586876 4.856344 7.173990 7.604083 2.849411 2.194273 3.190377 1.092625 2.208671 3.420349 3.878724 2.921095 4.499247 5.182973 4.281613 3.507482 5.667727 5.949237 4.456382 5.578588 6.739761 5.973061 7.363330 8.200034 3.873520 2.507533 4.066868 0.000000 6.431633 6.787287 2.473943 3.832071 6.527518 6.985731 3.371159 2.193947 3.215040 1.087324 2.231192 2.646283 3.232302 4.124630 3.403571 4.299110 5.419233 4.809155 4.431588 4.801174 3.454383 4.767379 6.056204 5.216113 6.745979 7.623204 4.245571 2.684930 4.214582 1.760444 0.000000 8.055639 8.291105 4.685437 5.321950 8.819851 9.147768 3.377286 3.212571 2.206094 2.222013 1.091288 3.227168 2.656914 4.132383 4.284547 3.403928 4.834779 5.416501 4.783285 4.423307 5.443880 6.890717 8.079798 7.514693 8.505454 9.977359 4.252187 4.205286 2.707868 2.965319 2.417552 0.000000 8.307978 8.978183 5.328064 6.077472 9.269245 9.589882 2.855898 3.195579 2.197833 2.212042 1.092937 3.878453 3.425108 2.931183 5.184133 4.485005 3.529003 4.286016 5.940999 5.655204 6.099239 7.440503 8.568640 8.021414 8.970265 10.383743 3.878572 4.067506 2.516384 2.366451 2.975248 1.761833 0.000000 7.408836 8.604371 5.457002 6.048473 8.796027 8.984271 2.163782 2.872522 2.871342 2.687836 2.686447 4.146189 4.147298 1.094980 5.469854 5.456984 2.140229 2.139835 6.521592 6.516503 6.019314 7.115437 8.027452 7.726136 8.313889 9.891686 3.052495 3.279247 3.280863 2.283472 3.746201 3.748629 2.289254 0.000000 7.796625 7.598618 6.180900 5.332191 9.857004 9.726350 4.186499 4.493520 2.962657 4.801643 3.900734 3.423528 2.156062 5.486559 3.911737 1.084597 5.657767 6.681716 3.410343 2.165182 6.255147 7.664384 8.439411 8.738056 8.281989 11.231633 4.167686 5.457484 2.835566 5.801610 5.038873 3.640197 4.666674 5.828070 0.000000 7.623634 8.909393 7.298440 6.915629 10.327414 10.128177 2.773025 4.282417 3.521943 4.966406 4.536957 4.958485 4.571785 2.179025 6.148751 5.500834 1.095606 2.804548 6.860591 6.583505 7.415972 8.470315 9.016830 9.423465 8.784983 11.582135 2.536452 4.693323 3.273125 5.041958 6.014330 5.472251 4.393403 3.060369 5.619769 0.000000 8.557737 9.617906 7.219718 7.205245 10.719139 10.710230 2.800482 4.249210 2.865688 4.380360 3.524335 4.924658 4.261162 2.190781 6.265967 5.183047 1.092986 3.487421 6.922823 6.466920 7.591864 8.813940 9.596383 9.658508 9.573700 11.941854 3.135654 4.936787 2.373301 4.449323 5.419186 4.352077 3.095787 2.489312 5.132156 1.768333 0.000000 8.612625 10.017590 7.695170 7.812709 10.764842 10.748704 3.484385 4.810861 4.181286 5.044112 4.642040 5.829917 5.521106 2.181170 7.134691 6.606492 1.094024 2.747090 8.003820 7.776966 8.040667 9.068385 9.750032 9.820536 9.739090 11.897987 3.738741 5.162740 3.984887 4.774424 6.129953 5.623424 4.117665 2.493980 6.714655 1.768345 1.766054 0.000000 5.584775 7.203262 4.845206 5.232670 7.179671 7.212310 2.801650 2.854110 4.245865 3.505091 4.367205 4.254117 4.921708 2.190208 5.201877 6.262937 3.486746 1.092707 6.485695 6.931656 5.071045 5.754648 6.380035 6.365625 6.601917 8.243540 3.148038 2.359460 4.939156 3.066881 4.315884 5.404029 4.444482 2.486034 6.937063 3.821838 4.344300 3.746357 0.000000 5.697832 7.386427 5.981252 5.728803 8.248074 8.021899 2.769785 3.503571 4.283083 4.520853 4.960405 4.559111 4.953541 2.179115 5.505142 6.140709 2.807576 1.095559 6.588489 6.858576 5.958475 6.674742 7.067850 7.524877 6.916561 9.415206 2.540351 3.248528 4.701364 4.368791 5.440390 6.012833 5.047778 3.060058 6.690756 2.643992 3.823425 3.130149 1.767920 0.000000 7.057677 8.764061 6.531610 6.843219 8.901925 8.902725 3.483755 4.172905 4.812319 4.634057 5.041586 5.515229 5.829164 2.180837 6.620232 7.125569 2.743953 1.094062 7.787358 8.003327 6.796218 7.513515 8.082118 8.120113 8.185506 9.919687 3.741412 3.971895 5.169689 4.100960 5.603031 6.130793 4.781996 2.495463 7.593673 3.121120 3.745828 2.512173 1.766442 1.768596 0.000000 5.044893 3.869038 4.400319 2.631951 6.701201 6.356604 5.602505 4.794952 5.334312 5.569083 5.896945 3.383109 3.850137 7.109294 2.152418 3.408020 7.981237 7.586403 1.084954 2.150332 3.775511 4.705360 5.139772 5.872352 4.914022 8.072150 5.398847 5.071337 6.008895 6.559409 5.238910 5.768606 6.980809 7.527337 4.305268 7.842444 7.986177 9.022972 7.297857 7.415816 8.677250 0.000000 7.024565 6.173034 5.971285 4.572528 8.994921 8.720049 5.599799 5.348720 4.783176 5.909370 5.566755 3.868636 3.377833 7.104875 3.408016 2.157973 7.576232 7.981100 2.142104 1.084210 5.693543 6.890827 7.458816 8.029669 7.175462 10.371768 5.392743 6.031340 5.044506 6.992014 5.792269 5.240437 6.551861 7.523307 2.495967 7.410479 7.280028 8.666759 7.993645 7.838502 9.021074 2.465314 0.000000 2.733377 2.054021 3.155933 1.009737 4.576181 4.089923 5.167334 4.061412 5.572638 5.110695 6.010551 3.260504 4.432087 6.438028 2.073927 4.747858 7.582882 6.424173 2.647092 3.998769 2.046651 2.552744 2.785894 3.900501 2.614831 6.017954 4.955036 3.774664 6.477699 5.823434 4.841281 6.242742 7.007942 6.885046 5.811800 7.460264 7.910515 8.487592 5.889935 6.212871 7.475284 2.497255 4.704416 0.000000 5.248337 5.278031 2.738989 4.197322 2.140396 3.256622 7.090871 5.559494 7.597616 5.598910 7.055205 5.762017 7.059435 7.757023 5.289442 7.839189 9.271871 7.485644 6.294512 7.490983 2.875253 2.228677 3.266369 1.077560 4.720234 2.849303 7.498756 4.934122 8.686080 5.673870 4.892445 7.241904 7.754535 7.619065 8.863340 9.617492 9.672500 9.856846 6.484623 7.815989 8.209444 6.311410 8.313006 4.593556 0.000000 2.010716 2.013664 5.653572 4.387741 3.816260 2.504924 7.845752 6.846965 8.716895 7.997217 9.162758 6.569857 7.821275 8.730972 5.642593 8.256469 9.893092 8.094634 6.213445 7.515529 4.500406 3.516452 2.148468 4.303720 1.089977 4.879809 7.467179 6.087359 9.614948 8.367792 7.805520 9.591205 10.020029 9.264471 9.291325 9.630127 10.516813 10.595267 7.415272 7.668452 8.946409 5.826325 8.097679 3.653938 5.379722 0.000000 6.355845 6.413550 5.224989 6.327621 2.077786 3.306672 9.352269 7.879400 10.016922 8.001241 9.503017 8.148729 9.493341 9.877068 7.585895 10.260025 11.398454 9.341910 8.529051 9.810751 5.127384 3.960230 4.196361 2.637923 5.601610 1.089021 9.675933 7.102914 11.105813 7.932427 7.358405 9.738166 10.138251 9.760497 11.306676 11.701091 11.914522 11.884371 8.279778 9.601201 9.940636 8.376109 10.576283 6.452410 2.522801 5.809603 0.000000 6.096294 5.801231 6.002849 6.519760 2.093919 2.742370 10.095027 8.643160 10.763829 9.000213 10.454025 8.680735 10.043145 10.775085 7.880377 10.652839 12.253953 10.212306 8.642546 9.999918 5.564655 4.187799 3.902358 3.200347 5.075160 1.090835 10.252157 7.860122 11.839723 9.084117 8.367441 10.668095 11.198796 10.809252 11.724038 12.418791 12.787347 12.819841 9.197892 10.301307 10.895703 8.285738 10.654134 6.368761 3.565769 5.015101 1.781590 0.000000 5.726957 6.092027 5.960240 6.612072 2.090440 2.705329 9.592035 8.236710 10.469582 8.642903 10.168665 8.556262 9.954765 10.052032 7.973376 10.753630 11.524243 9.289522 8.951504 10.284191 5.585797 4.203033 3.887535 3.226959 5.032821 1.090410 9.753186 7.319974 11.538918 8.549211 8.173271 10.548540 10.799754 10.086905 11.826489 11.699344 12.168184 11.970793 8.247976 9.386644 9.849900 8.770198 11.061934 6.557035 3.608494 4.962926 1.781241 1.780421 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3718,.0576,2.5975;3.0908,1.9536,1.7414;.7965,-.3463,-1.7868;.8186,1.1354,-.0473;4.7366,-1.1871,-.819;4.8152,-.6373,.4053;-3.155,-.7518,.5414;-1.8123,-.6654,-.2518;-3.882,.255,-.4056;-2.27,-1.0593,-1.6926;-3.6923,-.4274,-1.7981;-1.6195,.8343,-.2634;-2.9014,1.4058,-.3549;-3.783,-2.141,.7264;-.4982,1.6513,-.1963;-3.0845,2.7785,-.3794;-5.1613,-2.0283,1.3946;-2.8576,-3.048,1.5509;-.6792,3.0445,-.2034;-1.9524,3.5988,-.2908;1.3776,.1751,-.844;2.7734,-.2257,-.5163;3.6356,-.0519,.6014;3.5368,-.969,-1.4007;3.4248,.6142,1.9152;5.8792,-1.9063,-1.3608;-3.0319,-.304,1.5353;-.9704,-1.2397,.1252;-4.9114,.5158,-.162;-2.3058,-2.1467,-1.7936;-1.5682,-.6813,-2.4321;-3.771,.2992,-2.6085;-4.4621,-1.1861,-1.9604;-3.9247,-2.6119,-.2519;-4.0769,3.2109,-.4453;-5.078,-1.5459,2.3748;-5.8579,-1.4408,.7912;-5.6045,-3.0169,1.5465;-1.8948,-3.2003,1.0571;-2.6629,-2.6097,2.5359;-3.3117,-4.031,1.7072;.1909,3.6897,-.1416;-2.0631,4.6773,-.2894;1.4241,1.6423,.5821;3.2796,-1.3387,-2.3796;4.3153,.5701,2.5423;5.6065,-2.3124,-2.3337;6.7259,-1.2274,-1.4713;6.1522,-2.7197,-.6878; 0.3294286 0.1171557 0.1068950 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= 710 RedAO= T EigKep= 1.14D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.23D-07 NBFU= 706 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= 726 726 726 726 726 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53133859184 -1215.53133859166 0.000000000182 -1215.53133859 2 1.210544611250e+03 -7.635297165645e+03 2.810953991720e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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 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. 15219 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 750000000 NMat= 147 IRICut= 367 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 73.54% of shell-pairs survive, threshold= 0.20 IRatSp=74. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 5.80D-14 1.00D-09 XBig12= 2.87D+02 6.44D+00. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 5.80D-14 1.00D-09 XBig12= 8.10D+01 2.34D+00. 147 vectors produced by pass 2 Test12= 5.80D-14 1.00D-09 XBig12= 7.98D-01 1.18D-01. 147 vectors produced by pass 3 Test12= 5.80D-14 1.00D-09 XBig12= 4.25D-03 7.54D-03. 147 vectors produced by pass 4 Test12= 5.80D-14 1.00D-09 XBig12= 1.19D-05 2.78D-04. 130 vectors produced by pass 5 Test12= 5.80D-14 1.00D-09 XBig12= 1.84D-08 8.39D-06. 41 vectors produced by pass 6 Test12= 5.80D-14 1.00D-09 XBig12= 2.39D-11 3.53D-07. 3 vectors produced by pass 7 Test12= 5.80D-14 1.00D-09 XBig12= 2.78D-14 1.54D-08. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 909 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 258.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 314.147 -18.255 257.684 -2.112 10.489 204.066 424.670 -25.061 387.174 11.050 32.341 329.368 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT68039.700S 2022-07-22T19:17:30.000 -24.70660 -24.70100 -19.09186 -14.42690 -14.36366 -14.34782 -10.35728 -10.28739 -10.24042 -10.23563 -10.23256 -10.21395 -10.20299 -10.17233 -10.17113 -10.17052 -10.17000 -10.16943 -10.16921 -10.16875 -10.16751 -10.16689 -10.15893 -10.15373 -10.15260 -10.15179 -1.27023 -1.21245 -1.09048 -1.04687 -0.94100 -0.88862 -0.88539 -0.83295 -0.82309 -0.78836 -0.77133 -0.75526 -0.73549 -0.71585 -0.70237 -0.68999 -0.67854 -0.65868 -0.62467 -0.61299 -0.61005 -0.59627 -0.57610 -0.57334 -0.56351 -0.55520 -0.54583 -0.53977 -0.52423 -0.51309 -0.51059 -0.50123 -0.49239 -0.47580 -0.46016 -0.45443 -0.45031 -0.44589 -0.44195 -0.43727 -0.43089 -0.43051 -0.42944 -0.42691 -0.41974 -0.41821 -0.41043 -0.39502 -0.39215 -0.38155 -0.37237 -0.36884 -0.36499 -0.35573 -0.35060 -0.34132 -0.33680 -0.33267 -0.32398 -0.32150 -0.31830 -0.31075 -0.29889 -0.29282 -0.28889 -0.27774 -0.26644 -0.23431 -0.22885 -0.04152 -0.02869 -0.00943 -0.00590 -0.00228 0.00469 0.01055 0.01496 0.01851 0.02495 0.02627 0.02881 0.03374 0.03543 0.03807 0.04235 0.04800 0.04907 0.05381 0.05600 0.05957 0.06305 0.06494 0.06740 0.07240 0.07440 0.08067 0.08161 0.08877 0.08948 0.09539 0.09739 0.09892 0.10079 0.10559 0.10624 0.10871 0.11222 0.11935 0.12142 0.12306 0.12528 0.12904 0.12966 0.13517 0.13852 0.14119 0.14435 0.14742 0.15144 0.15392 0.15642 0.15765 0.16175 0.16505 0.16725 0.16907 0.17090 0.17189 0.17471 0.17722 0.18043 0.18251 0.18500 0.18699 0.18871 0.19199 0.19343 0.19493 0.19616 0.19864 0.20148 0.20446 0.20687 0.21048 0.21205 0.21415 0.21651 0.22013 0.22071 0.22172 0.22632 0.22936 0.23259 0.23451 0.23534 0.23702 0.24014 0.24200 0.24431 0.24458 0.24645 0.25025 0.25233 0.25669 0.26000 0.26245 0.26449 0.26513 0.26885 0.27021 0.27607 0.27786 0.27911 0.28444 0.28830 0.28963 0.29154 0.29225 0.29506 0.29958 0.30626 0.30772 0.31171 0.31357 0.31505 0.31814 0.32075 0.32393 0.32814 0.33128 0.33574 0.33819 0.34116 0.34797 0.35085 0.35174 0.35929 0.36273 0.36364 0.37051 0.37288 0.37784 0.38328 0.39092 0.39155 0.39383 0.39696 0.40166 0.40561 0.41254 0.41739 0.41965 0.42053 0.42509 0.43346 0.44214 0.44608 0.45033 0.45106 0.46052 0.46371 0.47056 0.47242 0.48368 0.48478 0.49370 0.50015 0.50884 0.51402 0.51860 0.52397 0.52543 0.53357 0.53910 0.54871 0.55022 0.55978 0.56503 0.57029 0.57188 0.57628 0.58408 0.58967 0.59162 0.59630 0.60182 0.60455 0.61132 0.61525 0.61796 0.62701 0.63728 0.64214 0.64813 0.64970 0.65900 0.66054 0.66464 0.66632 0.66698 0.67529 0.67782 0.68770 0.69190 0.69455 0.69963 0.70306 0.70419 0.70840 0.70916 0.71394 0.71554 0.72183 0.72301 0.72616 0.72849 0.73282 0.73800 0.74330 0.74685 0.75455 0.75757 0.76185 0.77162 0.77308 0.77701 0.78036 0.78831 0.78976 0.79463 0.80034 0.80523 0.81433 0.82200 0.82516 0.82786 0.83432 0.83972 0.84449 0.85336 0.85776 0.86146 0.86955 0.87371 0.88066 0.88934 0.89339 0.89880 0.90228 0.91086 0.91354 0.93576 0.94062 0.95576 0.95820 0.96443 0.97876 0.98521 0.98926 0.99726 0.99752 1.00337 1.01599 1.01859 1.02581 1.03635 1.05052 1.05390 1.06412 1.07624 1.08073 1.08434 1.09329 1.10024 1.10990 1.11373 1.11919 1.14780 1.15277 1.15748 1.17567 1.18207 1.18548 1.19998 1.21347 1.22278 1.23131 1.24968 1.25906 1.26470 1.27912 1.29009 1.29648 1.30961 1.31778 1.32686 1.34267 1.35076 1.35641 1.36949 1.37307 1.38495 1.40062 1.40656 1.41683 1.43057 1.43239 1.43951 1.44607 1.45215 1.46481 1.46805 1.47839 1.48494 1.49422 1.49863 1.50466 1.50616 1.51015 1.52159 1.52537 1.52774 1.53514 1.53692 1.54008 1.54612 1.55206 1.56304 1.57177 1.57364 1.58360 1.58532 1.58976 1.60115 1.60451 1.61132 1.61293 1.61762 1.62791 1.62910 1.63555 1.64350 1.64964 1.65229 1.65848 1.66802 1.67875 1.68595 1.69024 1.70619 1.70759 1.71536 1.72592 1.73085 1.73523 1.73576 1.74417 1.75803 1.76352 1.76629 1.76970 1.78397 1.78790 1.79477 1.80098 1.80497 1.81771 1.82601 1.83610 1.83773 1.84385 1.85056 1.85874 1.86208 1.87164 1.87821 1.88529 1.89460 1.89731 1.91423 1.91571 1.91720 1.92886 1.94306 1.94474 1.94969 1.95501 1.96695 1.97096 1.98478 1.99573 2.00058 2.00479 2.00538 2.01069 2.02342 2.03625 2.04645 2.04945 2.05373 2.05784 2.06543 2.07291 2.09268 2.10001 2.11223 2.13095 2.13395 2.15201 2.16099 2.16547 2.16577 2.17924 2.18388 2.18808 2.20671 2.21476 2.23011 2.25073 2.26031 2.27289 2.28576 2.29190 2.30021 2.31425 2.33209 2.33727 2.34584 2.35237 2.36506 2.37919 2.38191 2.40350 2.41893 2.43425 2.43715 2.44440 2.45102 2.45331 2.45641 2.46983 2.47601 2.48089 2.49691 2.51156 2.51659 2.51920 2.53616 2.54289 2.55141 2.55935 2.56303 2.57620 2.58220 2.59545 2.60648 2.61207 2.61893 2.62254 2.64232 2.64552 2.64973 2.68549 2.69049 2.70473 2.70798 2.70946 2.72023 2.72623 2.74000 2.74206 2.74650 2.74762 2.75581 2.76647 2.76862 2.77645 2.77723 2.79023 2.79774 2.80301 2.81928 2.82952 2.84218 2.85413 2.86126 2.87548 2.88336 2.90088 2.90616 2.91160 2.92166 2.92711 2.94194 2.94886 2.95437 2.96307 2.97575 2.99739 3.00425 3.00657 3.01339 3.02437 3.04165 3.04408 3.05207 3.06715 3.07071 3.07690 3.08360 3.10356 3.14422 3.15657 3.17031 3.17602 3.18664 3.21758 3.22365 3.24364 3.27932 3.29947 3.29983 3.33478 3.36070 3.38863 3.39807 3.41385 3.41679 3.44125 3.45961 3.48816 3.50822 3.56356 3.58328 3.60976 3.63464 3.67005 3.68068 3.68675 3.69978 3.70397 3.74281 3.76805 3.77546 3.79237 3.79629 3.80446 3.81084 3.82408 3.84416 3.84517 3.84676 3.85582 3.89495 3.93757 3.97707 3.98319 3.99150 3.99523 4.01187 4.04084 4.05388 4.07026 4.07712 4.11139 4.13349 4.13939 4.18157 4.21337 4.25909 4.28865 4.30761 4.33559 4.36687 4.37647 4.39244 4.44222 4.59401 4.76470 4.87324 4.87709 4.90993 4.97797 5.12093 5.14916 5.33846 5.43054 5.84484 6.35326 6.38986 6.41272 6.46308 6.56839 6.66980 23.62386 23.66111 23.75206 23.84880 23.86634 23.89618 23.89859 23.90591 23.94633 23.95914 23.96976 23.98416 23.99599 23.99941 24.02639 24.10181 24.11033 24.11423 24.14797 24.21533 35.49183 35.56627 35.66735 50.06418 66.75913 66.82758 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.078497 -0.108922 -0.273829 0.100756 0.045023 -0.077195 -0.337183 0.184424 0.616322 -0.419682 -0.530093 -0.150672 -0.330445 0.154331 -0.057169 0.048545 -0.553011 -0.546184 -0.037189 -0.173819 -0.711109 1.197428 -1.088442 0.021365 -0.053694 -0.262722 0.133536 0.130861 0.117977 0.134889 0.177742 0.140928 0.141060 0.128276 0.108893 0.139627 0.133093 0.136606 0.137275 0.141415 0.136570 0.111998 0.123231 0.278567 0.147472 0.198647 0.153478 0.184276 0.185247 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 F F O N N N C C C C C C C C C C C C C C C C C C C C -0.078497 -0.108922 -0.273829 0.379323 0.045023 -0.077195 -0.203648 0.315285 0.734300 -0.107051 -0.248105 -0.150672 -0.330445 0.282608 -0.057169 0.157438 -0.143684 -0.130925 0.074808 -0.050588 -0.711109 1.197428 -1.088442 0.168837 0.144953 0.260280 -0.00000 1.40449242e+00 -6.64884664e-01 -3.96292816e-01 3.14146739e+02 -1.82551982e+01 2.57683878e+02 -2.11164776e+00 1.04894245e+01 2.04065937e+02 -0.0006 -0.0004 0.0001 1.7441 3.4183 3.7335 14.0720 23.0902 40.2286 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 14.0616 23.0816 40.2275 51.4264 52.9830 64.3678 84.4188 90.2963 108.5722 121.1289 136.8578 168.6668 173.1226 194.2793 205.6280 219.8328 235.0042 245.2918 250.9461 262.6921 276.9546 297.7554 317.2822 360.1906 389.1958 412.1603 419.8011 441.9012 448.5112 460.4579 493.6748 509.7937 554.3218 564.9651 568.8205 582.9587 598.4615 618.4193 631.1291 682.1479 721.5445 725.6353 740.6740 768.2594 770.4434 796.4461 810.8637 818.0146 841.6079 848.6403 863.8312 878.0352 878.8339 881.6705 888.5969 897.7010 914.0978 940.8526 956.6876 974.2097 975.3398 986.5602 992.2830 1010.2576 1032.7394 1036.6707 1068.2033 1073.5878 1080.5350 1091.9801 1127.8083 1140.1044 1145.3027 1146.8032 1149.7930 1163.0289 1181.9878 1191.3243 1193.2286 1199.5843 1201.0036 1219.0208 1247.2768 1261.9134 1269.8972 1278.0400 1289.1777 1309.0511 1319.0267 1323.2291 1324.7034 1332.1454 1348.8191 1353.5240 1358.0145 1381.5272 1404.9487 1414.3989 1420.3629 1427.0309 1450.1575 1459.3390 1476.6455 1478.8890 1489.7484 1496.2017 1500.1969 1503.3735 1506.8624 1507.4897 1516.0582 1522.9366 1524.5203 1560.8876 1577.0576 1632.6744 1653.5202 1715.9973 3010.2770 3011.5689 3015.7659 3030.5269 3041.9892 3052.5212 3055.3882 3070.3767 3079.3822 3085.5204 3086.6371 3089.9584 3101.1257 3121.4628 3123.2077 3134.4151 3137.0873 3147.2947 3156.6995 3166.0017 3182.2923 3267.4752 3604.7081 6.7796 4.8790 3.3700 2.5473 1.3311 6.6011 5.9948 4.0057 5.3694 5.1862 5.0514 3.9159 6.0479 5.7098 2.9944 3.7055 1.3712 2.4605 1.2838 3.2942 3.7774 2.2910 2.7751 7.4804 3.4900 5.1541 3.3937 6.2381 2.7665 3.7690 3.8684 4.3347 1.6356 3.5351 4.9597 3.7255 4.1230 4.6777 4.5641 3.4133 8.0720 5.3767 4.1339 2.0592 2.4187 3.7938 5.0644 3.4675 3.8603 1.7109 1.5997 2.1260 2.3978 2.9214 2.7470 2.5101 2.2011 1.2059 2.7269 1.4478 1.4975 2.5124 7.7181 1.9075 4.7692 2.1330 2.8976 2.5183 1.9215 2.3776 1.9265 1.3573 1.7263 1.3605 1.7178 1.8365 1.8697 2.3109 1.6408 1.6223 1.4549 1.6395 1.2719 2.8047 1.6391 1.8392 1.7017 1.5569 1.7658 2.4503 1.6971 1.4907 1.2754 1.3463 1.7361 3.8276 1.2385 1.3816 3.4070 1.2435 1.9408 2.4023 1.9020 1.0427 1.0483 1.0475 1.0880 3.5786 1.1691 2.4536 1.0492 1.1087 1.3719 2.4628 4.2860 5.7346 5.5959 8.8485 1.0777 1.0369 1.0434 1.0815 1.0647 1.0321 1.0690 1.1010 1.0995 1.1000 1.1029 1.1000 1.0890 1.0898 1.1061 1.0887 1.0961 1.1050 1.0862 1.0910 1.0964 1.0993 1.0776 0.0008 0.0015 0.0032 0.0040 0.0022 0.0161 0.0252 0.0192 0.0373 0.0448 0.0557 0.0656 0.1068 0.1270 0.0746 0.1055 0.0446 0.0872 0.0476 0.1339 0.1707 0.1197 0.1646 0.5718 0.3115 0.5159 0.3524 0.7177 0.3279 0.4708 0.5555 0.6637 0.2961 0.6648 0.9455 0.7460 0.8700 1.0540 1.0711 0.9358 2.4761 1.6680 1.3362 0.7161 0.8459 1.4179 1.9619 1.3671 1.6110 0.7260 0.7033 0.9657 1.0911 1.3380 1.2780 1.1918 1.0836 0.6289 1.4705 0.8096 0.8393 1.4407 4.4774 1.1470 2.9970 1.3506 1.9481 1.7102 1.3218 1.6704 1.4437 1.0395 1.3342 1.0542 1.3380 1.4636 1.5391 1.9323 1.3764 1.3755 1.2364 1.4354 1.1658 2.6314 1.5574 1.7700 1.6664 1.5719 1.8101 2.5278 1.7546 1.5586 1.3671 1.4532 1.8864 4.3042 1.4404 1.6284 4.0497 1.4919 2.4047 3.0143 2.4436 1.3436 1.3707 1.3816 1.4428 4.7654 1.5640 3.2852 1.4209 1.5150 1.8786 3.5353 6.2805 9.0064 9.0144 15.3515 5.7537 5.5409 5.5912 5.8524 5.8051 5.6662 5.8800 6.1152 6.1427 6.1703 6.1909 6.1882 6.1705 6.2562 6.3569 6.3018 6.3554 6.4486 6.3774 6.4429 6.5419 6.9151 8.2499 0.2816 1.5505 0.7772 0.3224 0.1365 1.1947 2.5826 0.2702 2.3979 2.1391 2.7769 1.1913 2.3080 3.5107 0.7760 4.3957 1.4521 4.2036 0.1789 4.0369 1.8110 1.0969 1.4490 16.3714 0.5503 2.3681 1.1020 2.0432 0.0762 5.2602 0.6369 11.1621 22.1502 2.0052 6.1291 18.2442 13.9588 3.9160 1.0470 7.1415 4.3669 0.7115 14.4868 22.4523 35.9560 29.9994 22.5288 34.7082 9.9442 2.3071 10.1075 0.8465 0.6394 2.4413 6.7578 0.9059 2.2278 0.9675 3.4473 1.3031 0.5297 3.1286 175.0232 0.9640 44.3871 6.4714 19.6175 6.5458 11.0141 56.8945 2.2998 43.8589 22.9320 5.1161 1.1351 1.6574 5.7638 117.6792 5.4691 4.9257 13.4768 1.1958 0.3739 0.3616 42.1869 82.6491 44.6574 3.9361 51.7379 4.9976 12.9039 13.7841 10.0797 5.1482 13.7963 12.2846 12.3788 1.1192 10.9947 5.8455 32.3003 14.8192 11.2148 10.7857 0.1027 7.3849 0.3794 59.7147 10.0653 15.5604 11.6565 24.0951 11.3089 133.0901 329.1189 2.9028 19.2906 210.5552 9.3137 24.8038 32.6833 20.8502 28.7939 36.5074 47.8988 1.3690 82.8825 22.4319 36.1566 44.3359 51.9970 17.7594 7.7141 22.8572 11.3211 5.1288 0.7976 17.6791 23.9632 3.2386 106.3455 0.18 0.22 0.05 0.10 0.15 -0.16 -0.02 -0.08 0.08 -0.01 -0.05 0.06 -0.02 -0.06 0.02 0.05 0.04 -0.03 -0.05 -0.04 -0.05 -0.04 -0.03 -0.03 -0.03 0.01 -0.02 -0.03 0.03 -0.05 -0.02 0.06 -0.04 -0.02 -0.03 0.03 -0.01 -0.01 0.04 -0.07 -0.04 -0.11 -0.01 -0.04 0.07 0.00 -0.01 0.09 -0.08 -0.04 -0.12 -0.10 -0.08 -0.13 0.00 -0.04 0.12 0.01 -0.02 0.13 -0.01 -0.05 0.07 -0.00 -0.03 0.04 0.06 0.06 -0.02 -0.05 -0.11 0.06 0.13 0.17 -0.06 -0.05 -0.11 0.03 -0.06 -0.08 -0.03 -0.05 -0.05 -0.04 -0.02 0.01 -0.02 -0.05 0.04 -0.09 -0.02 0.05 -0.03 -0.00 0.09 -0.01 -0.03 0.07 -0.08 -0.07 0.00 -0.13 0.01 0.01 0.09 -0.08 -0.08 -0.10 -0.06 -0.01 -0.11 -0.09 -0.04 -0.17 -0.09 -0.08 -0.13 -0.10 -0.13 -0.11 -0.11 -0.08 -0.18 0.01 -0.05 0.15 0.02 -0.02 0.17 -0.00 -0.03 0.04 -0.10 -0.18 0.11 0.17 0.24 -0.11 -0.09 -0.18 0.07 -0.05 -0.13 -0.06 -0.03 -0.07 0.07 0.11 -0.09 0.03 -0.03 -0.03 0.05 -0.01 -0.11 0.08 -0.01 -0.08 0.06 0.08 0.11 -0.06 0.08 0.10 -0.06 -0.08 0.02 0.00 -0.05 -0.03 0.04 -0.03 0.02 -0.04 -0.02 -0.05 0.03 -0.01 -0.02 -0.02 -0.01 -0.04 0.01 0.00 -0.01 -0.04 -0.12 0.04 0.01 0.00 -0.06 0.03 0.04 -0.00 -0.07 -0.15 0.10 -0.05 -0.18 0.04 0.08 0.04 -0.06 -0.00 0.05 -0.03 -0.05 0.00 -0.08 0.06 0.03 -0.02 0.02 0.05 0.02 -0.01 0.04 0.04 -0.02 0.05 -0.02 0.01 0.11 0.21 -0.12 -0.10 0.04 -0.00 -0.08 -0.04 0.07 -0.03 0.05 -0.07 -0.05 -0.05 0.06 0.01 -0.08 0.04 0.04 -0.03 -0.04 -0.02 0.00 -0.02 -0.09 0.02 0.02 0.05 0.02 -0.10 -0.18 0.13 -0.06 -0.11 0.09 -0.10 -0.18 0.11 -0.03 -0.16 0.01 0.13 -0.22 0.06 0.08 -0.21 0.06 0.08 0.05 -0.08 0.01 0.08 -0.02 -0.07 -0.00 -0.06 0.04 0.04 0.05 -0.02 0.08 0.02 -0.02 0.09 0.17 -0.10 0.05 0.28 -0.18 0.22 0.24 -0.12 0.07 -0.01 0.03 0.05 -0.01 0.02 0.01 0.15 -0.03 -0.01 0.03 0.06 -0.05 -0.03 -0.04 -0.01 -0.04 -0.03 0.00 -0.01 0.00 0.03 0.00 0.04 0.01 -0.04 -0.04 0.08 -0.03 0.03 0.07 -0.07 -0.02 -0.00 0.00 0.03 -0.01 -0.02 -0.02 0.03 -0.02 0.01 -0.02 0.02 0.04 -0.03 -0.02 -0.05 -0.06 -0.04 -0.18 -0.04 0.07 0.19 -0.04 0.02 0.02 -0.05 -0.00 -0.02 0.00 0.08 0.01 -0.01 0.04 0.00 0.01 -0.00 -0.01 -0.05 0.03 -0.02 0.06 -0.01 0.00 -0.09 -0.09 -0.05 -0.04 0.01 -0.00 0.03 0.02 0.08 0.00 -0.05 -0.07 0.11 -0.03 0.04 0.09 -0.02 0.05 0.07 -0.09 -0.04 0.09 -0.09 -0.02 0.18 -0.09 0.02 -0.03 -0.04 -0.09 -0.22 0.05 -0.21 -0.02 -0.14 -0.33 -0.02 -0.05 -0.15 0.05 0.11 0.34 -0.21 0.13 0.20 0.00 0.05 0.17 -0.05 0.03 0.04 -0.06 -0.01 -0.04 -0.03 -0.00 0.10 -0.07 0.05 -0.02 0.07 -0.02 -0.03 -0.09 0.03 -0.10 -0.02 -0.16 0.05 -0.20 -0.18 -0.11 0.12 -0.05 0.08 -0.03 -0.01 0.04 0.00 0.06 0.01 -0.02 0.00 0.05 -0.02 0.02 -0.02 0.01 0.01 -0.02 -0.03 0.01 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.05 0.02 -0.03 0.02 0.03 -0.03 -0.03 -0.02 0.00 -0.01 -0.02 -0.00 -0.05 -0.04 0.02 0.00 -0.02 0.01 0.01 -0.02 -0.00 -0.08 0.04 0.04 0.15 0.02 -0.04 -0.13 -0.02 0.01 -0.02 -0.02 0.00 -0.07 -0.01 0.03 0.03 -0.01 0.02 0.02 0.02 0.01 0.01 -0.03 0.02 0.00 0.05 0.01 0.02 -0.06 -0.06 -0.01 -0.04 0.03 -0.02 -0.01 0.02 0.05 -0.02 -0.01 -0.08 0.02 -0.04 0.05 0.04 -0.06 0.02 0.06 -0.04 -0.04 0.03 -0.03 -0.05 -0.16 0.06 -0.00 -0.02 -0.01 -0.12 0.17 -0.04 0.18 0.01 0.12 0.27 0.00 0.05 0.12 -0.05 -0.09 -0.26 0.17 -0.07 -0.15 -0.01 -0.02 -0.09 -0.02 0.01 -0.01 -0.02 0.00 -0.09 -0.04 -0.01 0.07 -0.05 0.03 0.01 0.09 0.05 -0.03 0.03 0.25 -0.17 0.08 -0.18 0.31 -0.32 -0.29 -0.19 -0.05 0.02 -0.04 0.00 0.01 -0.02 0.00 -0.04 -0.00 0.01 -0.01 -0.02 0.04 0.05 -0.01 0.01 0.03 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.02 -0.02 0.01 -0.00 -0.02 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.00 0.03 -0.02 -0.00 -0.03 -0.02 0.00 0.03 0.01 -0.01 0.01 0.02 -0.01 0.03 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.03 0.02 -0.01 -0.02 0.00 -0.01 0.02 -0.03 0.04 0.01 -0.01 0.01 -0.01 -0.02 -0.02 0.00 0.01 0.03 -0.02 0.01 -0.02 -0.03 0.01 -0.01 -0.03 0.02 0.02 -0.02 0.02 0.02 0.02 -0.01 0.00 0.01 0.00 0.05 -0.05 0.02 -0.04 -0.01 -0.02 -0.06 -0.02 -0.00 -0.03 -0.01 0.01 0.06 -0.06 0.01 0.04 -0.02 0.00 0.02 0.02 -0.02 0.00 0.02 -0.00 0.04 0.02 -0.00 -0.04 0.05 0.02 -0.02 -0.04 -0.01 0.01 0.20 0.43 -0.20 0.20 -0.18 0.55 -0.36 -0.36 -0.21 -0.24 0.18 -0.14 0.31 0.02 -0.00 0.02 0.12 -0.03 -0.01 -0.04 0.10 0.00 0.01 -0.02 -0.01 -0.06 0.01 -0.05 -0.01 0.01 -0.00 -0.03 0.08 0.01 -0.03 -0.06 0.07 -0.08 0.07 0.09 -0.06 -0.03 -0.00 -0.03 0.05 0.01 -0.03 -0.02 -0.10 0.01 0.01 -0.00 -0.03 0.08 0.01 -0.03 -0.06 -0.05 0.07 0.10 -0.10 -0.07 -0.09 0.00 -0.03 0.05 0.01 -0.03 -0.01 0.01 0.04 0.03 0.01 0.01 0.00 -0.01 -0.06 0.03 0.01 0.06 -0.03 -0.02 -0.06 0.02 0.02 0.06 -0.07 -0.10 0.01 0.00 -0.02 -0.02 0.14 -0.01 -0.02 -0.12 0.05 -0.09 0.12 0.11 -0.13 0.09 0.16 -0.07 -0.05 0.08 -0.04 -0.08 -0.19 0.05 -0.00 0.01 -0.03 -0.12 0.05 -0.00 0.13 -0.05 0.16 0.19 -0.11 0.09 0.07 -0.15 -0.13 -0.17 0.02 -0.10 -0.10 -0.16 -0.04 -0.06 0.00 -0.03 0.08 0.01 -0.03 -0.04 -0.02 -0.06 0.14 0.02 0.12 -0.05 -0.11 -0.27 0.13 0.01 0.07 -0.07 -0.01 0.09 -0.07 0.06 0.06 -0.09 -0.03 0.04 0.03 0.18 -0.03 0.06 -0.13 -0.20 0.24 -0.01 0.06 0.01 -0.04 0.02 -0.04 0.00 -0.02 -0.03 0.02 0.02 -0.01 0.01 0.05 -0.02 -0.01 0.02 0.01 -0.01 0.07 -0.03 -0.03 0.02 0.00 -0.01 0.05 -0.01 -0.02 0.03 -0.02 0.10 -0.02 -0.04 -0.01 0.06 -0.02 -0.03 0.03 -0.08 0.07 -0.13 -0.08 0.14 0.04 -0.02 -0.02 0.06 -0.09 -0.03 0.04 -0.13 -0.07 -0.08 0.14 -0.06 -0.05 0.09 -0.00 -0.06 0.05 -0.08 -0.01 0.03 0.04 -0.06 0.06 -0.05 0.08 -0.14 0.01 0.00 -0.00 0.01 0.05 -0.04 -0.01 0.01 0.03 0.03 0.07 -0.05 -0.03 0.11 -0.03 -0.07 0.02 0.00 -0.01 0.00 0.03 0.16 -0.02 -0.04 -0.03 0.02 -0.10 0.01 -0.13 -0.07 0.05 -0.17 -0.09 0.14 -0.16 -0.10 0.16 0.10 -0.00 0.09 0.05 -0.02 0.21 0.01 -0.04 -0.03 0.07 -0.11 -0.04 0.04 -0.18 0.02 0.12 -0.06 -0.13 0.02 0.03 0.02 -0.16 0.08 -0.04 0.26 -0.22 -0.04 0.07 0.00 -0.09 -0.05 -0.28 -0.01 0.01 0.01 0.02 -0.00 -0.00 -0.02 -0.04 0.03 -0.02 -0.03 0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.02 0.02 -0.10 0.00 -0.01 -0.13 0.00 -0.02 -0.13 -0.01 -0.06 -0.11 -0.02 -0.07 -0.11 -0.00 -0.01 -0.13 -0.00 -0.01 -0.13 0.04 0.04 0.04 -0.01 -0.01 0.02 -0.01 -0.01 0.03 0.07 0.10 0.09 0.08 0.14 0.10 -0.02 -0.01 0.19 -0.02 -0.02 0.20 -0.02 -0.03 0.02 -0.02 -0.02 0.02 -0.01 -0.02 0.01 -0.02 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.02 -0.02 0.05 0.09 -0.13 0.01 -0.00 -0.12 0.00 -0.02 -0.13 -0.02 -0.06 -0.07 -0.02 -0.09 -0.13 -0.03 -0.10 -0.14 -0.02 -0.08 -0.07 0.01 -0.05 0.09 -0.02 -0.01 0.06 0.12 0.21 0.04 0.04 0.04 0.06 0.08 0.12 0.22 0.06 0.09 0.08 0.12 0.26 0.04 0.10 0.16 0.24 -0.04 -0.01 0.33 -0.04 -0.02 0.35 -0.02 -0.03 0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.07 -0.04 -0.00 0.03 0.01 -0.01 -0.01 -0.06 -0.07 -0.07 -0.13 -0.15 0.02 -0.02 -0.11 -0.15 0.15 0.05 0.09 -0.04 -0.03 0.01 -0.03 -0.00 0.06 -0.05 0.02 0.02 0.01 0.08 0.02 0.12 0.08 -0.02 -0.07 0.19 -0.07 0.11 0.22 -0.04 -0.04 0.05 0.03 0.06 0.04 0.00 0.00 -0.01 0.02 -0.02 0.03 0.06 0.05 0.01 -0.00 0.02 -0.01 0.04 -0.03 -0.03 -0.03 -0.05 -0.00 0.05 0.08 -0.01 0.02 0.08 -0.03 -0.02 0.04 -0.02 0.02 -0.03 0.00 0.07 -0.06 -0.04 -0.02 -0.02 -0.07 0.03 -0.06 -0.06 -0.07 -0.00 -0.07 0.04 0.01 0.06 0.05 0.21 0.05 -0.04 -0.17 0.18 -0.07 0.18 0.25 -0.13 0.14 0.32 -0.05 -0.06 0.22 -0.03 -0.12 -0.02 0.06 -0.04 0.00 -0.03 -0.02 0.00 -0.01 -0.00 0.02 0.10 -0.01 -0.05 0.05 -0.08 -0.05 -0.05 -0.06 -0.01 -0.05 -0.04 -0.07 -0.01 -0.07 -0.02 0.07 0.10 -0.04 0.02 0.11 0.11 0.16 -0.15 -0.06 -0.08 0.01 -0.10 0.07 -0.02 -0.10 -0.14 0.04 -0.04 -0.12 -0.07 -0.08 -0.03 0.06 0.00 -0.08 -0.14 0.13 0.03 0.21 0.03 -0.08 0.08 0.01 0.08 -0.05 0.04 0.03 -0.01 0.07 0.06 -0.03 -0.00 -0.02 -0.02 -0.03 -0.03 -0.06 -0.03 -0.02 0.02 -0.08 -0.00 -0.06 -0.09 -0.01 0.01 -0.01 -0.02 -0.05 -0.03 -0.03 -0.01 -0.04 -0.01 0.01 -0.02 0.01 -0.05 -0.06 -0.03 0.02 -0.03 0.05 0.02 -0.06 -0.02 0.01 -0.06 0.00 -0.03 -0.07 -0.01 0.01 0.05 0.05 0.01 0.09 0.14 -0.03 0.11 0.13 -0.04 0.05 0.08 -0.01 0.07 -0.00 0.02 -0.06 -0.20 0.08 0.04 -0.03 -0.02 -0.02 -0.04 -0.11 -0.02 -0.01 0.06 -0.08 -0.00 -0.07 -0.11 0.01 -0.08 -0.13 -0.01 0.01 -0.09 -0.01 0.04 -0.06 -0.02 0.02 -0.07 -0.05 0.06 -0.00 0.09 0.00 -0.02 0.04 0.01 -0.04 0.06 0.07 -0.06 -0.04 0.02 -0.06 -0.03 0.02 -0.08 -0.02 0.01 -0.08 0.02 -0.04 -0.09 -0.01 0.03 -0.01 0.12 -0.07 0.02 0.03 0.01 0.03 -0.14 0.07 -0.18 -0.44 0.21 -0.01 -0.31 -0.18 -0.08 -0.04 0.28 -0.07 -0.05 -0.16 -0.07 0.04 0.04 -0.00 0.08 -0.01 -0.05 -0.16 0.20 0.01 0.03 -0.01 0.06 0.12 -0.06 -0.06 0.03 -0.00 -0.06 0.02 0.02 -0.04 0.05 -0.02 -0.04 0.04 0.00 -0.04 0.03 -0.01 -0.03 -0.00 0.04 -0.01 0.03 -0.03 0.04 -0.01 0.00 0.00 -0.07 0.11 0.08 0.05 -0.12 0.03 -0.15 0.01 0.14 0.09 0.01 0.08 -0.06 0.06 0.12 -0.01 -0.08 -0.02 -0.03 0.06 -0.01 -0.03 0.01 0.04 0.09 -0.05 -0.02 -0.06 0.03 -0.03 0.04 -0.04 -0.03 -0.08 0.04 -0.07 0.04 -0.00 -0.07 0.00 0.02 -0.04 0.07 -0.02 -0.03 0.05 -0.03 -0.03 0.07 0.02 -0.05 0.02 -0.02 -0.04 0.02 0.01 0.08 -0.03 0.01 0.11 0.11 -0.21 -0.01 -0.19 0.03 -0.01 -0.17 0.04 0.11 -0.19 -0.04 0.13 0.14 -0.03 0.15 0.16 -0.02 0.22 0.07 0.07 0.11 -0.10 0.12 0.17 -0.00 -0.14 -0.06 -0.20 0.24 -0.06 -0.14 0.07 -0.07 0.03 0.02 -0.07 -0.18 0.09 -0.00 -0.13 -0.06 -0.05 -0.02 0.12 -0.03 -0.00 -0.04 -0.03 0.04 0.08 -0.03 0.09 -0.01 0.02 -0.00 0.05 -0.06 -0.01 0.00 0.00 0.10 -0.05 0.14 -0.07 -0.01 0.08 -0.04 -0.09 0.07 -0.04 0.07 0.00 0.03 -0.09 -0.03 -0.01 0.04 0.07 -0.03 -0.03 0.06 -0.04 0.01 0.04 -0.02 -0.00 0.04 0.00 0.01 0.04 -0.04 -0.01 0.04 0.17 -0.02 -0.09 -0.12 0.02 0.03 -0.00 -0.03 0.03 -0.02 -0.06 -0.03 -0.00 0.04 -0.07 -0.08 0.07 -0.01 0.05 -0.01 -0.11 -0.12 0.08 -0.02 0.03 0.01 -0.06 0.05 -0.06 0.21 -0.09 -0.00 0.10 -0.06 -0.16 0.09 -0.04 0.15 0.03 0.04 -0.15 -0.06 0.10 -0.11 -0.12 0.00 0.06 -0.02 -0.03 0.10 0.00 -0.02 0.00 0.03 -0.07 -0.00 0.08 0.31 -0.09 0.08 0.13 -0.10 -0.03 0.23 0.13 -0.05 -0.14 0.10 -0.15 -0.20 0.07 -0.16 -0.11 -0.09 0.03 0.00 -0.03 0.01 -0.02 -0.10 0.01 -0.04 0.09 -0.17 -0.20 0.12 -0.03 0.01 0.02 -0.07 0.14 -0.10 -0.07 0.07 -0.01 -0.04 -0.02 -0.15 0.05 -0.01 0.01 0.14 0.05 0.23 -0.01 -0.01 -0.19 -0.03 -0.04 -0.15 -0.03 -0.01 0.02 -0.02 0.15 -0.06 -0.05 0.04 0.01 -0.01 0.03 0.07 -0.01 0.01 -0.04 0.06 -0.06 0.08 0.09 -0.00 -0.03 -0.03 0.03 -0.01 -0.03 0.03 0.01 -0.01 0.02 -0.00 -0.02 0.01 -0.09 -0.02 0.03 0.10 -0.02 -0.07 -0.01 0.03 0.05 -0.02 -0.00 0.01 -0.05 -0.01 0.02 0.08 -0.05 -0.08 -0.12 -0.10 -0.14 -0.00 -0.05 0.07 -0.06 -0.09 -0.21 0.06 0.04 0.01 0.01 0.04 0.07 0.06 -0.11 0.06 0.01 -0.02 0.07 0.15 -0.04 -0.01 -0.11 0.01 -0.07 0.17 0.11 -0.16 0.09 0.20 0.00 -0.04 0.07 0.03 -0.10 0.01 0.03 -0.01 -0.02 0.05 0.17 -0.05 -0.15 0.03 -0.03 -0.03 0.03 0.00 -0.09 -0.11 0.02 0.06 -0.05 0.06 0.08 -0.04 0.06 0.05 0.01 0.01 0.00 -0.10 -0.00 0.02 0.15 -0.03 -0.12 -0.07 -0.10 -0.34 0.11 0.09 -0.15 -0.07 0.14 0.13 0.01 0.01 0.13 0.18 0.04 0.04 0.03 0.03 0.08 0.18 0.05 0.02 0.10 -0.16 -0.06 -0.02 0.01 -0.08 0.00 -0.04 0.13 -0.07 -0.15 0.03 -0.02 0.05 0.00 0.02 0.03 -0.03 -0.01 0.05 0.01 0.02 -0.03 -0.05 0.01 -0.03 -0.05 0.05 0.05 -0.03 -0.02 0.07 -0.00 -0.04 0.04 0.01 -0.01 0.05 -0.04 0.05 0.12 0.01 -0.08 0.02 0.01 -0.04 0.00 -0.04 -0.02 0.11 -0.04 0.08 0.13 -0.01 -0.01 -0.08 -0.04 -0.09 -0.06 0.06 -0.14 -0.16 0.01 -0.05 0.01 0.16 -0.15 -0.04 -0.01 0.01 -0.07 -0.05 0.11 0.08 -0.01 0.02 0.03 -0.04 -0.02 0.06 0.04 0.06 -0.03 -0.06 0.04 -0.05 -0.07 -0.02 -0.05 -0.08 0.02 -0.04 -0.04 0.12 0.05 0.03 -0.02 0.14 0.03 -0.14 -0.00 -0.01 -0.03 0.05 0.03 -0.05 0.00 0.02 -0.07 0.02 -0.01 0.01 -0.03 -0.10 0.01 -0.01 -0.05 -0.10 0.12 -0.07 0.14 0.15 -0.01 -0.02 0.09 -0.02 -0.12 0.08 0.21 -0.19 0.05 -0.10 -0.13 -0.08 -0.27 0.21 -0.02 -0.14 -0.03 -0.14 0.10 0.32 -0.00 0.02 0.04 0.01 0.00 0.01 -0.01 -0.03 -0.01 -0.01 -0.04 0.01 -0.00 0.04 -0.02 -0.02 0.01 -0.01 -0.03 -0.08 -0.07 -0.00 -0.03 -0.01 0.00 -0.03 -0.03 0.09 0.12 -0.09 0.11 0.16 -0.12 -0.01 -0.03 0.10 -0.01 -0.03 0.11 -0.03 -0.06 0.01 -0.01 -0.04 0.02 -0.01 -0.03 0.07 0.01 0.02 0.08 0.00 0.03 0.09 0.00 -0.04 -0.09 0.00 -0.03 -0.05 -0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.03 -0.00 -0.00 0.00 0.04 -0.03 -0.01 -0.00 0.01 -0.03 -0.02 0.01 -0.04 -0.07 -0.07 -0.02 -0.06 -0.03 -0.02 -0.07 -0.08 0.06 0.13 -0.19 0.15 0.18 0.00 0.20 0.28 -0.01 0.12 0.19 -0.29 -0.06 -0.13 0.04 -0.01 -0.03 0.08 0.08 0.18 -0.00 -0.04 -0.09 0.04 0.04 0.04 0.28 -0.04 -0.10 0.04 0.10 0.21 -0.01 -0.03 0.08 0.31 0.01 -0.04 -0.20 0.01 -0.03 -0.13 -0.01 -0.04 -0.01 0.01 0.06 -0.04 0.00 -0.02 -0.01 -0.06 -0.08 0.04 -0.01 -0.06 -0.05 -0.05 0.01 0.06 0.07 -0.05 -0.05 0.06 -0.01 -0.01 -0.13 0.03 0.04 0.02 0.05 0.02 0.02 -0.08 0.03 -0.04 -0.02 -0.01 0.00 -0.02 -0.01 0.00 0.02 0.00 -0.01 -0.02 0.00 0.02 0.11 -0.04 -0.02 0.01 0.00 -0.01 0.02 0.08 -0.02 -0.01 0.00 -0.00 -0.02 0.00 -0.02 0.03 0.10 -0.05 -0.02 -0.13 0.01 0.03 0.02 -0.02 -0.02 0.01 -0.07 0.03 0.11 -0.08 0.00 -0.05 -0.03 0.02 -0.02 -0.00 -0.03 -0.10 -0.03 -0.00 -0.08 0.03 -0.09 -0.04 0.03 -0.03 -0.07 0.18 0.06 0.17 -0.00 -0.02 -0.01 -0.00 -0.00 -0.02 -0.01 -0.02 0.02 0.11 0.11 -0.14 -0.00 0.23 -0.00 -0.10 0.00 0.00 0.03 -0.05 0.03 -0.01 -0.03 0.01 -0.05 -0.04 -0.27 0.03 0.13 -0.03 -0.01 -0.04 -0.01 0.02 0.04 0.13 -0.00 -0.01 0.03 -0.04 -0.03 0.02 -0.02 -0.02 -0.01 -0.10 0.07 0.17 -0.09 0.00 -0.10 0.06 0.07 -0.04 0.08 -0.13 -0.04 0.06 -0.07 -0.12 0.40 0.06 0.11 0.11 0.18 0.35 0.17 0.08 0.20 -0.01 -0.00 0.01 0.01 -0.02 -0.03 0.02 -0.01 -0.02 -0.03 -0.04 0.01 0.03 0.05 -0.02 0.02 0.03 -0.01 0.00 0.01 0.01 0.00 0.03 0.02 -0.01 -0.00 -0.00 0.02 0.00 0.02 0.02 -0.01 0.00 -0.03 0.02 -0.00 -0.03 0.02 -0.00 0.01 0.01 -0.00 -0.02 0.00 -0.01 -0.03 0.02 0.01 0.02 0.04 0.01 0.01 -0.02 -0.04 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.03 0.02 0.00 -0.02 0.01 0.01 0.01 -0.00 0.00 -0.02 0.00 0.00 -0.03 0.02 -0.01 0.02 0.01 0.02 0.06 0.03 -0.02 -0.03 -0.01 0.04 0.00 0.04 0.03 0.00 0.02 0.02 -0.02 -0.00 0.03 -0.02 -0.00 -0.00 0.03 -0.01 -0.02 0.03 0.03 -0.01 0.40 -0.17 -0.08 -0.28 -0.17 0.17 0.03 0.38 0.14 0.27 0.12 -0.27 -0.24 0.11 0.15 -0.14 -0.38 -0.02 0.01 -0.01 -0.01 0.01 0.01 -0.04 -0.06 0.04 0.02 0.02 -0.00 -0.00 -0.01 0.01 -0.02 -0.10 0.06 0.03 -0.07 -0.04 -0.03 0.01 0.09 -0.01 -0.01 0.03 0.03 -0.06 -0.08 -0.01 0.03 -0.02 -0.03 -0.02 0.03 0.07 0.12 -0.06 0.06 0.09 -0.05 0.04 0.01 0.01 0.02 0.03 0.00 0.00 -0.02 0.02 0.03 0.03 0.00 -0.01 -0.05 0.03 -0.02 0.03 -0.01 -0.03 0.00 0.00 0.03 0.02 -0.01 -0.02 0.03 -0.01 -0.05 -0.00 0.02 0.01 0.06 -0.06 -0.00 -0.00 0.00 -0.04 0.03 -0.02 -0.06 0.01 0.00 -0.03 -0.04 0.03 -0.04 -0.10 0.05 -0.00 -0.06 0.02 0.02 -0.00 0.00 -0.00 -0.05 0.01 0.02 -0.06 0.07 0.03 0.00 0.01 0.04 0.05 0.00 0.00 -0.03 0.03 0.10 0.03 -0.03 -0.00 0.10 0.00 -0.08 -0.08 0.01 0.03 -0.09 0.09 0.04 0.02 -0.01 -0.06 -0.01 0.05 0.03 -0.19 0.06 0.14 0.31 0.05 -0.15 0.09 -0.33 -0.12 -0.27 -0.15 0.26 0.15 -0.12 -0.15 0.11 0.27 -0.05 0.04 -0.03 -0.07 0.01 0.01 -0.04 -0.07 0.08 0.02 0.00 -0.00 -0.01 -0.04 0.02 -0.01 -0.23 0.15 0.08 -0.16 -0.06 -0.06 0.05 0.23 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.02 -0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.02 -0.02 -0.04 0.04 -0.02 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.00 0.02 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.03 -0.01 0.04 -0.06 0.05 0.03 -0.06 0.00 -0.01 -0.02 0.00 -0.01 -0.00 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 -0.01 0.01 0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.03 0.00 0.00 0.03 -0.04 -0.05 0.08 -0.03 -0.08 0.01 -0.01 -0.04 0.02 -0.03 -0.01 0.05 -0.00 0.00 -0.02 0.00 -0.01 0.05 -0.10 0.40 -0.23 -0.07 -0.25 -0.28 0.11 0.04 0.27 -0.11 -0.23 -0.29 0.39 0.20 -0.21 -0.06 0.13 0.27 0.01 -0.01 -0.05 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.03 0.03 -0.01 -0.00 0.03 0.03 0.02 0.00 -0.01 -0.02 0.03 0.02 -0.02 0.02 0.05 0.13 -0.13 -0.11 -0.01 -0.03 -0.11 -0.00 -0.01 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.02 0.00 0.04 0.05 -0.02 -0.01 0.02 0.07 0.15 -0.01 -0.02 -0.05 0.05 -0.03 0.02 0.08 -0.03 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.01 0.01 -0.15 -0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.02 -0.00 0.15 -0.01 -0.00 0.01 0.02 -0.05 -0.08 0.02 0.01 0.01 0.01 0.01 0.02 0.01 0.01 0.02 -0.01 0.02 0.03 -0.06 -0.02 -0.10 -0.02 -0.01 0.03 0.00 0.03 0.04 -0.02 -0.02 0.02 0.25 0.16 -0.18 0.03 0.37 0.06 -0.20 -0.12 0.00 0.08 -0.18 0.17 0.01 0.00 0.00 0.00 0.02 -0.32 -0.02 0.12 -0.05 -0.01 -0.05 -0.07 0.01 0.03 0.09 -0.08 -0.18 -0.11 0.16 0.05 -0.07 -0.10 0.04 0.14 -0.03 0.01 0.24 -0.01 -0.00 0.01 0.02 -0.08 -0.10 -0.01 0.01 0.03 -0.02 0.02 0.04 -0.16 0.04 -0.10 -0.05 -0.04 -0.14 -0.03 -0.06 -0.17 -0.03 0.01 0.06 -0.00 -0.04 -0.04 -0.01 0.07 -0.01 0.12 0.17 -0.12 0.05 0.09 -0.04 0.06 0.10 -0.04 -0.05 -0.02 -0.01 -0.02 -0.05 -0.01 0.02 0.03 0.00 -0.08 -0.05 -0.00 -0.02 0.08 -0.02 0.07 -0.03 0.02 0.07 -0.02 -0.01 -0.07 -0.03 0.02 0.05 0.04 0.01 0.04 -0.03 -0.11 -0.06 -0.13 0.06 -0.03 -0.00 0.01 -0.01 0.03 0.10 -0.00 0.01 0.00 0.02 0.03 -0.01 -0.03 -0.11 0.06 -0.00 -0.05 0.03 -0.01 -0.06 0.04 -0.02 -0.04 0.03 -0.02 -0.04 -0.01 -0.04 -0.03 -0.00 -0.06 -0.12 -0.03 0.03 0.09 0.01 -0.19 -0.05 0.05 -0.05 -0.15 -0.03 0.07 0.14 0.02 -0.08 0.16 -0.09 -0.08 -0.05 0.03 0.03 -0.07 -0.23 -0.11 0.09 -0.04 -0.20 -0.39 -0.03 0.14 -0.18 0.30 -0.06 -0.05 -0.03 0.04 0.05 -0.02 -0.03 0.01 0.10 -0.03 0.05 0.17 -0.03 0.01 -0.00 0.13 0.17 -0.13 -0.02 -0.07 0.05 -0.02 -0.02 0.04 -0.09 -0.11 0.04 0.03 -0.12 -0.11 -0.06 0.00 0.06 0.00 -0.00 -0.01 0.00 0.00 0.00 0.04 -0.04 -0.04 -0.04 -0.04 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.05 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.00 0.06 -0.07 -0.09 0.05 0.04 0.16 -0.02 -0.02 -0.00 -0.01 -0.02 -0.00 0.04 0.07 0.01 -0.00 -0.03 -0.01 0.03 -0.05 -0.01 -0.09 0.05 0.08 -0.06 0.04 -0.02 0.01 -0.06 -0.01 0.09 -0.06 -0.01 -0.04 -0.01 -0.02 -0.02 0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.07 -0.02 0.03 0.03 0.02 -0.02 0.01 -0.02 0.08 -0.30 -0.10 0.23 -0.01 -0.35 -0.02 0.29 0.33 0.11 -0.07 0.33 -0.27 0.07 0.02 -0.01 -0.05 -0.03 -0.18 0.05 0.01 -0.03 0.15 0.18 -0.06 -0.06 0.11 -0.15 0.04 -0.03 0.02 0.03 -0.03 0.01 0.02 -0.01 -0.01 -0.08 0.01 0.18 -0.06 -0.01 -0.08 -0.03 -0.06 0.01 0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.02 0.03 0.03 -0.02 0.00 0.02 -0.01 0.02 0.00 0.06 0.04 -0.02 0.02 0.00 -0.01 0.01 0.01 -0.01 -0.03 0.01 -0.00 -0.01 -0.06 0.03 0.01 -0.01 0.02 -0.01 0.02 0.00 -0.03 -0.02 0.03 0.04 -0.07 0.09 0.03 -0.08 0.06 -0.04 0.06 -0.05 0.02 -0.04 0.05 -0.02 -0.11 0.02 -0.03 0.11 -0.04 0.11 0.19 -0.10 -0.04 -0.05 -0.01 -0.05 -0.08 -0.02 0.02 0.01 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 -0.00 0.01 -0.03 -0.00 -0.02 0.00 0.01 -0.00 -0.02 -0.03 -0.03 -0.01 0.00 -0.04 -0.10 0.02 0.02 0.03 0.03 0.03 0.02 -0.08 -0.02 0.09 0.03 -0.07 -0.04 0.02 -0.01 -0.04 0.07 -0.04 0.06 -0.05 -0.04 -0.16 -0.01 0.02 -0.02 0.02 0.05 0.27 0.02 -0.15 0.14 -0.17 0.18 0.53 -0.05 -0.09 0.13 -0.03 0.39 0.03 -0.26 -0.06 -0.02 -0.07 -0.07 -0.08 -0.08 0.07 0.06 -0.05 0.01 -0.04 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.02 0.01 -0.03 -0.05 -0.00 -0.02 -0.04 -0.09 0.21 0.14 -0.15 0.05 0.22 -0.11 0.07 0.06 0.03 -0.03 0.08 0.17 -0.10 -0.07 0.10 -0.06 -0.05 0.00 0.03 0.00 -0.01 0.06 -0.01 -0.03 0.00 -0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.03 -0.02 0.06 -0.04 -0.05 0.03 -0.03 0.04 -0.00 0.02 0.01 0.02 0.00 -0.08 0.03 0.02 0.03 -0.02 -0.00 -0.03 -0.07 0.03 -0.04 0.03 -0.03 -0.07 0.02 -0.00 0.03 -0.01 0.00 0.10 -0.11 -0.13 0.04 -0.05 -0.07 0.17 -0.13 -0.10 -0.08 0.03 -0.00 0.16 -0.15 -0.18 -0.02 0.05 -0.01 0.00 0.08 0.01 -0.03 -0.01 -0.03 -0.03 -0.01 0.08 -0.01 -0.06 -0.01 0.03 0.02 -0.02 -0.01 0.02 -0.06 0.04 0.01 0.01 -0.09 0.03 0.07 0.01 0.01 -0.01 0.02 -0.05 -0.02 0.06 -0.03 0.02 -0.05 -0.19 0.03 0.01 -0.08 0.03 -0.15 -0.01 0.05 -0.07 0.07 -0.03 -0.06 0.02 0.01 0.01 -0.01 0.09 0.23 -0.16 -0.11 -0.04 -0.01 -0.06 0.04 -0.09 -0.17 0.17 -0.18 -0.24 0.18 -0.19 -0.24 0.00 0.01 -0.01 -0.01 0.01 0.02 0.05 -0.02 0.00 -0.03 -0.08 0.08 -0.03 -0.01 -0.03 -0.03 -0.03 -0.02 0.08 0.07 0.08 0.08 -0.01 -0.03 0.09 0.01 0.08 0.06 0.07 -0.03 0.06 0.08 0.05 0.07 -0.02 -0.13 0.07 -0.05 -0.07 -0.06 0.14 0.08 0.02 0.00 -0.07 -0.05 -0.09 -0.03 -0.13 -0.11 0.04 -0.04 0.07 -0.05 -0.06 0.00 -0.01 -0.09 -0.05 0.01 0.00 -0.03 0.04 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.02 -0.04 -0.00 0.01 -0.01 0.01 0.01 0.03 0.18 0.10 0.06 0.11 0.00 -0.06 0.10 0.02 0.12 0.05 0.08 -0.14 0.05 0.14 -0.01 0.06 0.17 0.12 0.06 0.10 -0.03 -0.05 0.22 0.04 -0.09 -0.17 0.06 -0.31 -0.11 0.06 -0.25 -0.29 0.00 0.13 -0.23 -0.00 -0.10 0.06 -0.17 0.09 0.00 -0.05 -0.05 0.07 -0.06 -0.11 0.05 0.10 -0.14 -0.05 0.12 -0.05 -0.09 0.11 -0.03 0.05 -0.05 0.01 0.01 -0.03 0.07 -0.02 0.02 -0.00 0.03 0.06 -0.01 0.04 0.07 -0.05 0.09 0.07 -0.06 -0.04 0.04 0.28 -0.09 0.03 0.01 0.04 0.05 -0.11 -0.04 -0.17 -0.02 -0.02 -0.19 -0.00 -0.04 -0.05 0.01 0.00 -0.03 0.01 0.00 -0.00 -0.03 -0.06 -0.00 -0.03 -0.05 0.01 0.00 0.03 0.04 -0.00 0.02 0.05 -0.03 -0.04 -0.07 0.00 0.04 0.07 0.00 0.03 0.04 0.02 -0.01 0.01 -0.03 0.04 0.00 0.00 0.05 0.02 0.00 0.05 -0.04 0.08 0.04 0.08 0.01 0.03 0.00 0.01 -0.00 -0.05 -0.15 -0.05 -0.09 -0.02 -0.03 -0.01 0.07 0.03 0.11 -0.01 -0.09 -0.03 0.01 0.01 -0.04 0.00 -0.02 0.01 -0.05 -0.07 0.09 -0.04 -0.14 -0.06 -0.05 -0.10 -0.03 -0.04 -0.05 0.08 -0.05 -0.08 -0.05 0.00 0.03 0.02 0.13 -0.01 0.01 -0.02 0.02 0.09 0.01 0.00 0.06 0.01 0.05 0.07 -0.10 0.13 -0.02 0.01 0.03 0.06 0.00 0.05 -0.03 -0.00 0.05 -0.14 -0.00 0.02 0.08 -0.31 -0.06 -0.05 -0.01 -0.06 -0.02 0.40 -0.11 0.08 0.00 0.14 0.30 -0.00 0.15 0.29 -0.02 0.02 0.03 -0.01 -0.03 -0.01 0.04 0.03 0.05 0.03 0.05 -0.02 -0.05 -0.01 -0.05 -0.00 0.01 -0.07 -0.07 0.06 0.07 -0.09 -0.01 0.09 -0.06 0.02 -0.06 -0.01 0.10 0.03 -0.01 0.07 -0.05 -0.01 -0.05 -0.02 -0.00 -0.03 -0.10 0.09 0.01 0.14 0.00 -0.08 -0.09 0.02 -0.04 -0.04 0.01 0.07 -0.05 0.10 -0.14 0.03 0.01 -0.09 -0.05 0.02 -0.07 0.09 0.05 0.05 0.03 0.01 0.03 0.00 0.01 0.01 -0.01 -0.06 -0.02 -0.02 -0.01 -0.02 0.01 0.01 0.02 0.04 -0.12 0.17 0.03 -0.13 -0.05 0.11 -0.05 0.11 -0.10 0.02 0.11 -0.12 0.05 0.20 0.14 0.03 0.11 -0.02 0.02 0.06 -0.15 0.13 0.05 0.11 0.02 -0.02 -0.01 -0.15 0.10 -0.06 0.18 0.10 -0.22 -0.11 0.11 -0.12 0.04 -0.15 -0.07 0.21 -0.32 0.09 0.02 -0.12 -0.11 0.02 -0.11 -0.03 0.04 -0.07 0.25 -0.02 0.11 -0.02 -0.13 -0.04 0.01 -0.01 -0.03 0.01 0.12 -0.02 0.03 -0.01 0.06 0.11 -0.01 0.05 0.10 -0.09 -0.02 0.19 0.08 -0.15 -0.13 -0.01 -0.04 0.02 -0.03 -0.05 0.07 -0.01 -0.07 0.11 0.05 0.22 -0.02 0.05 0.02 0.01 0.03 0.01 -0.05 0.01 -0.01 0.02 0.02 -0.01 -0.03 0.03 -0.01 0.00 -0.02 0.01 -0.04 -0.03 0.02 0.01 -0.01 0.05 0.03 -0.02 -0.02 0.05 -0.02 0.02 0.04 -0.04 -0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.01 -0.00 -0.05 0.04 0.09 -0.08 0.10 0.23 -0.17 0.01 0.18 -0.09 0.01 -0.14 0.07 -0.08 -0.13 0.03 -0.04 0.00 -0.04 0.10 0.03 -0.00 0.07 0.06 -0.06 0.00 -0.07 0.02 0.02 -0.02 -0.01 0.01 -0.02 -0.05 0.02 0.00 0.02 0.02 -0.01 -0.01 -0.01 0.07 0.02 -0.02 0.04 0.08 -0.11 -0.04 0.02 -0.07 -0.07 -0.00 0.04 -0.06 -0.03 -0.03 0.01 -0.05 0.03 -0.02 -0.01 -0.03 0.02 -0.03 -0.00 -0.02 0.01 0.03 0.00 -0.12 0.06 0.16 -0.18 -0.04 -0.47 0.21 -0.09 -0.23 0.03 -0.15 0.14 -0.07 -0.07 0.03 -0.06 0.06 -0.10 -0.20 0.00 -0.02 0.01 0.02 0.00 -0.02 0.02 -0.00 0.00 0.03 -0.02 0.03 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.02 0.08 -0.01 -0.02 0.01 0.08 -0.01 0.06 -0.02 -0.03 0.03 0.07 -0.04 0.03 0.02 0.04 -0.03 0.02 0.04 -0.03 -0.05 0.07 0.06 -0.16 0.03 -0.03 -0.00 -0.03 -0.07 -0.01 0.20 -0.04 -0.00 -0.13 0.04 0.01 -0.03 -0.04 -0.05 -0.05 -0.07 0.04 0.02 -0.01 -0.00 0.00 0.01 -0.02 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.03 0.01 0.00 -0.10 0.04 0.01 -0.08 -0.05 0.11 0.02 0.13 -0.00 -0.02 0.03 0.04 -0.02 0.04 0.08 -0.02 -0.00 -0.01 -0.04 0.03 0.04 0.10 0.09 -0.17 -0.06 -0.12 0.03 0.39 -0.02 -0.03 0.00 -0.11 0.16 0.33 -0.08 0.14 -0.06 -0.21 0.22 -0.26 0.15 -0.02 -0.35 0.15 0.08 -0.06 0.00 -0.07 -0.07 -0.07 0.10 0.05 0.03 -0.03 0.01 -0.02 0.00 -0.01 -0.02 -0.02 -0.05 0.02 0.00 -0.03 0.01 -0.01 -0.02 0.00 -0.02 0.02 -0.04 -0.02 0.02 0.04 -0.00 0.08 -0.06 -0.05 0.07 -0.02 0.06 0.01 0.03 0.03 -0.05 0.01 0.04 -0.02 0.09 -0.00 -0.02 0.02 -0.03 0.01 0.05 -0.13 -0.07 -0.03 -0.05 -0.05 -0.03 -0.10 0.07 0.02 0.09 0.06 -0.01 0.00 0.06 0.08 0.13 0.05 0.05 0.22 -0.05 -0.04 0.13 -0.02 -0.01 -0.01 0.03 -0.09 0.02 -0.04 0.07 -0.02 -0.07 0.01 -0.08 0.01 -0.04 -0.02 -0.02 -0.06 -0.02 -0.06 -0.02 -0.01 0.03 -0.00 -0.01 -0.02 0.01 -0.03 -0.04 0.01 -0.01 -0.02 0.23 -0.06 -0.07 -0.07 -0.05 0.03 0.14 -0.15 -0.07 -0.03 0.03 -0.06 -0.09 -0.07 -0.07 -0.10 -0.16 -0.07 -0.04 0.00 0.07 0.09 0.12 -0.08 -0.11 0.16 -0.23 -0.01 0.01 0.03 -0.07 -0.13 0.03 -0.05 -0.10 -0.02 -0.15 -0.07 0.15 -0.28 0.08 -0.09 -0.06 -0.12 -0.07 0.14 -0.22 -0.10 0.01 -0.29 0.19 0.01 -0.09 0.09 0.01 -0.03 0.00 0.01 -0.07 -0.12 0.03 -0.00 -0.02 -0.02 -0.06 -0.04 -0.01 -0.05 -0.00 0.04 -0.02 -0.03 -0.03 0.02 -0.08 0.03 -0.01 0.01 0.07 -0.12 -0.01 -0.01 -0.05 0.05 -0.04 -0.04 0.07 0.10 0.03 -0.00 -0.01 -0.07 -0.02 -0.02 -0.00 0.03 -0.04 -0.06 0.04 -0.05 -0.03 -0.08 -0.04 0.01 -0.09 0.02 0.10 0.07 0.19 0.04 -0.06 -0.11 0.08 -0.01 0.02 0.08 0.06 -0.03 -0.01 -0.07 0.03 -0.02 -0.00 -0.13 0.08 0.07 -0.06 -0.10 -0.02 0.03 -0.03 -0.01 0.02 0.07 0.08 -0.02 0.05 -0.05 0.03 0.02 0.06 0.01 0.05 0.03 -0.00 0.02 0.15 0.19 -0.02 0.02 0.03 -0.05 -0.06 -0.14 -0.02 0.06 -0.04 -0.08 0.03 -0.01 -0.05 0.03 -0.03 -0.02 0.04 -0.04 -0.04 0.11 0.26 -0.00 0.03 0.11 0.03 -0.09 -0.08 0.03 -0.07 -0.17 0.00 0.28 -0.15 -0.08 -0.10 -0.14 -0.02 -0.00 -0.09 0.02 -0.28 0.11 -0.11 0.05 -0.19 0.00 0.18 -0.05 -0.33 -0.03 0.01 -0.04 -0.12 0.07 0.03 0.02 0.05 0.11 0.13 -0.05 0.02 0.02 0.03 0.08 0.01 0.04 0.09 0.03 -0.09 0.01 0.05 0.12 0.00 0.13 0.03 0.09 0.08 0.06 0.05 0.02 0.07 0.01 -0.10 0.02 0.04 0.03 -0.01 0.01 -0.00 0.05 -0.04 -0.05 -0.05 0.06 0.04 -0.00 -0.00 0.04 -0.01 0.02 -0.09 0.03 -0.09 -0.13 0.04 0.03 -0.01 0.01 -0.01 0.01 -0.09 -0.04 -0.06 0.07 0.00 -0.01 0.00 0.00 -0.02 0.02 -0.01 0.01 -0.11 0.05 0.05 -0.06 -0.04 0.13 0.05 0.07 -0.01 -0.13 -0.04 -0.15 -0.06 -0.03 0.04 -0.07 -0.05 -0.10 0.03 -0.08 -0.05 0.01 -0.02 0.07 -0.03 0.02 0.06 0.15 -0.02 -0.09 -0.18 0.06 0.05 -0.01 0.02 0.04 -0.01 -0.01 0.05 0.04 0.07 0.06 -0.01 -0.07 -0.01 0.02 -0.02 -0.01 0.19 0.02 0.00 -0.02 0.01 -0.03 -0.00 0.03 0.01 -0.01 -0.01 -0.02 0.02 -0.01 -0.02 0.05 -0.02 -0.01 0.02 0.02 0.00 -0.12 0.14 0.16 -0.05 -0.06 0.14 0.51 -0.36 0.15 -0.05 -0.09 -0.03 -0.01 -0.19 -0.15 0.02 -0.00 -0.01 -0.05 -0.10 -0.06 -0.01 -0.05 0.02 0.04 -0.02 -0.01 -0.05 0.01 0.04 -0.01 0.05 0.03 0.06 -0.05 0.01 0.02 0.05 -0.04 0.03 0.03 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 -0.02 -0.01 0.03 0.01 0.03 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.02 0.02 0.01 0.05 -0.00 -0.02 -0.04 -0.05 0.01 -0.05 0.04 -0.02 -0.01 0.01 -0.03 -0.07 -0.04 0.02 0.00 0.02 0.02 -0.00 0.00 -0.01 -0.02 -0.02 -0.05 0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.04 0.01 0.04 0.00 0.03 0.01 -0.08 -0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.04 -0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.03 0.02 -0.02 0.03 -0.03 -0.05 0.01 0.00 0.02 -0.28 -0.53 0.71 0.11 -0.05 -0.02 0.06 -0.09 -0.14 -0.12 0.05 0.01 -0.03 -0.01 -0.05 -0.03 -0.01 -0.04 -0.01 -0.02 0.01 0.01 0.02 -0.01 -0.02 0.01 -0.01 0.04 -0.04 0.02 -0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.08 -0.01 -0.01 0.07 0.12 -0.04 -0.04 -0.15 -0.01 -0.06 0.01 -0.01 -0.07 -0.03 -0.08 -0.02 0.10 0.18 -0.09 -0.05 0.02 0.00 0.06 0.02 0.06 0.05 0.01 -0.00 -0.05 -0.12 -0.03 -0.01 0.01 -0.03 0.04 -0.02 0.11 0.04 -0.13 0.02 -0.09 0.17 0.01 -0.02 -0.01 0.01 0.01 0.01 0.02 0.01 0.02 -0.02 0.01 -0.00 -0.01 0.01 0.03 -0.00 0.00 0.01 0.06 0.04 -0.03 0.12 0.11 -0.14 -0.05 -0.25 0.09 -0.10 -0.01 0.26 -0.10 -0.19 -0.14 0.01 0.10 0.03 -0.06 0.00 -0.26 -0.02 0.08 0.02 0.05 0.06 -0.31 -0.11 -0.05 0.04 -0.08 -0.06 0.02 0.07 -0.06 -0.06 -0.05 0.04 -0.05 0.01 0.01 -0.02 -0.04 0.04 -0.03 0.07 0.10 -0.27 -0.04 -0.10 0.33 0.12 0.08 -0.14 -0.05 0.03 0.00 -0.03 0.03 0.06 0.04 -0.01 0.00 -0.01 0.02 0.03 -0.00 0.02 0.02 0.02 0.09 -0.06 -0.05 -0.11 0.02 -0.05 -0.00 -0.02 0.13 -0.02 -0.01 -0.04 0.01 0.03 0.01 0.01 0.01 -0.05 -0.01 -0.00 0.02 0.18 0.02 -0.09 -0.08 0.01 -0.00 0.09 0.10 -0.04 0.02 -0.01 0.04 0.13 -0.18 -0.07 -0.06 -0.08 -0.04 -0.09 -0.03 0.14 0.04 0.02 -0.06 -0.09 0.11 -0.04 0.01 0.01 0.01 -0.02 0.01 0.09 0.01 0.11 0.02 -0.17 -0.15 0.03 -0.04 -0.04 0.01 0.01 0.01 0.03 0.01 0.01 -0.02 0.03 0.01 0.08 -0.03 0.00 -0.08 0.05 0.04 -0.16 -0.03 0.02 0.06 0.24 0.02 -0.07 -0.05 0.03 0.00 0.07 0.25 -0.02 -0.02 0.03 0.03 0.10 0.06 0.02 -0.01 -0.17 -0.06 -0.10 -0.02 -0.04 -0.00 0.35 0.05 0.03 -0.01 -0.00 0.06 0.02 -0.12 0.05 0.06 0.02 0.05 0.01 -0.02 0.07 -0.02 0.09 -0.04 0.08 -0.01 0.14 0.23 -0.02 -0.17 -0.28 0.16 -0.13 0.06 -0.02 0.04 0.01 0.08 -0.04 0.01 -0.06 0.05 0.04 -0.08 0.06 0.05 -0.07 0.05 0.04 -0.07 -0.17 0.12 0.08 0.18 -0.07 -0.02 -0.00 0.00 0.01 0.03 -0.07 0.00 -0.05 -0.06 0.01 -0.01 -0.05 -0.03 0.01 0.01 -0.00 0.03 0.02 -0.04 -0.05 -0.00 -0.01 0.03 0.03 -0.02 -0.00 -0.02 0.02 0.02 -0.06 -0.01 -0.06 -0.00 0.00 0.00 -0.01 0.01 0.05 -0.02 0.03 -0.07 0.06 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.05 0.05 0.07 0.02 -0.03 -0.07 -0.01 -0.02 0.01 0.02 0.02 0.01 0.02 0.03 0.02 -0.02 0.01 -0.03 -0.11 0.07 0.07 0.08 -0.05 -0.03 -0.07 0.03 0.01 -0.01 0.02 0.02 -0.04 -0.03 0.00 0.01 0.03 0.03 -0.00 0.03 0.04 0.02 0.04 0.02 -0.00 -0.00 -0.10 0.01 0.01 -0.01 0.04 -0.05 0.11 0.02 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.04 0.06 0.12 -0.05 -0.04 -0.17 -0.22 -0.49 0.56 -0.09 0.04 -0.02 -0.17 0.12 0.15 0.15 -0.07 -0.04 0.06 -0.02 0.01 0.07 -0.03 -0.00 -0.03 -0.04 0.03 0.01 0.03 -0.03 -0.06 0.03 0.01 0.16 -0.03 -0.04 -0.06 -0.03 -0.01 0.01 0.01 -0.03 0.02 -0.01 -0.06 0.03 0.07 -0.06 0.09 0.15 -0.02 0.02 -0.02 -0.00 0.04 0.02 0.06 0.01 0.04 0.03 0.02 0.14 0.01 -0.03 -0.07 -0.00 0.09 -0.12 0.03 -0.17 0.12 -0.05 -0.05 -0.01 0.02 0.03 -0.04 0.03 -0.10 -0.17 -0.06 -0.08 -0.05 0.05 0.06 -0.07 -0.02 0.03 -0.00 0.01 0.04 0.04 0.02 -0.02 0.04 -0.03 -0.00 0.02 0.06 -0.04 0.03 0.03 0.06 -0.08 -0.04 0.07 0.12 -0.06 0.08 0.16 -0.05 -0.05 -0.03 0.15 -0.00 -0.15 -0.10 -0.08 -0.15 -0.09 0.02 -0.02 0.32 -0.06 -0.14 0.03 -0.18 0.09 -0.13 -0.03 0.01 0.01 -0.01 0.02 -0.00 -0.11 0.02 0.03 0.03 0.01 0.00 0.03 -0.01 0.01 0.09 -0.07 0.05 -0.13 -0.11 -0.15 0.13 -0.02 0.10 0.02 -0.34 0.33 -0.06 0.09 -0.04 -0.05 0.05 0.11 0.02 0.01 0.02 -0.07 0.06 0.07 -0.03 0.04 0.04 -0.00 0.01 0.01 0.00 -0.03 -0.00 -0.01 0.06 0.02 0.01 -0.08 0.04 -0.06 -0.10 0.05 0.02 0.07 -0.03 -0.08 0.05 -0.04 -0.05 0.01 -0.03 -0.02 0.04 -0.04 -0.00 -0.04 -0.05 0.01 -0.05 -0.05 0.04 0.02 0.05 0.02 -0.02 0.32 0.03 0.05 0.03 0.08 0.04 -0.31 -0.00 -0.04 -0.01 0.02 0.00 -0.01 0.00 -0.01 0.01 0.01 0.05 0.09 -0.03 -0.02 -0.05 0.02 -0.08 0.07 0.01 -0.05 0.01 0.01 0.04 -0.02 0.04 0.08 -0.06 -0.01 -0.01 -0.01 -0.04 0.01 0.02 -0.08 0.09 -0.06 -0.11 -0.06 0.03 -0.04 0.05 -0.13 0.02 -0.05 -0.01 0.01 -0.05 -0.05 -0.08 -0.17 -0.14 0.01 -0.09 0.14 0.04 0.02 0.04 -0.00 -0.08 -0.28 -0.04 -0.00 0.00 0.03 -0.01 -0.03 0.05 -0.01 -0.04 -0.01 -0.07 -0.00 0.03 -0.11 0.04 -0.09 0.02 -0.07 -0.07 0.13 0.49 -0.09 -0.02 -0.05 0.02 0.12 -0.14 0.10 0.20 -0.12 0.00 -0.03 -0.02 -0.02 0.04 0.00 -0.09 0.08 0.05 0.03 -0.01 -0.03 0.01 -0.00 -0.02 -0.01 0.02 0.00 -0.04 -0.01 0.02 -0.01 -0.07 0.03 0.09 0.25 -0.12 -0.07 -0.19 0.08 -0.03 0.02 -0.03 0.00 0.03 -0.02 0.01 0.04 -0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.03 0.02 0.03 0.02 -0.00 0.13 0.00 0.00 0.01 0.04 0.01 -0.12 -0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.01 0.03 -0.02 -0.03 -0.02 0.05 0.07 -0.07 0.07 0.14 -0.07 0.00 -0.03 0.03 -0.09 -0.20 0.10 0.02 0.02 0.02 -0.00 0.04 -0.01 -0.04 0.03 -0.04 -0.01 0.02 -0.01 0.01 0.07 -0.06 -0.02 -0.01 0.07 -0.01 -0.07 -0.04 -0.06 -0.10 -0.09 0.00 -0.04 0.12 -0.00 -0.02 0.02 -0.02 -0.05 -0.12 -0.02 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.00 0.02 -0.05 0.02 -0.02 -0.01 -0.02 -0.04 0.05 0.19 -0.04 -0.03 -0.01 -0.06 -0.11 0.10 -0.27 -0.56 0.28 0.00 0.04 0.04 -0.02 -0.04 0.03 0.12 -0.12 -0.06 -0.17 0.09 0.12 -0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.05 0.01 -0.02 0.14 -0.06 0.03 -0.04 0.03 -0.01 0.02 -0.04 -0.01 -0.03 -0.01 0.10 -0.12 -0.13 0.04 -0.04 -0.12 0.08 -0.01 -0.07 -0.07 0.01 -0.06 -0.03 0.01 -0.01 -0.04 -0.04 0.03 -0.02 0.01 0.02 0.00 0.08 0.02 0.02 -0.04 0.10 -0.02 0.04 0.01 -0.02 -0.02 0.03 -0.02 -0.01 0.08 -0.02 -0.04 0.14 0.00 0.07 -0.06 -0.04 0.06 -0.02 -0.03 0.06 0.01 0.02 -0.00 -0.03 -0.04 0.02 0.01 0.05 -0.10 0.07 0.05 0.02 -0.01 0.09 -0.15 -0.16 0.08 -0.07 -0.20 0.06 0.16 -0.04 -0.41 0.02 0.25 0.11 0.18 0.16 0.15 -0.04 0.06 -0.33 0.06 0.11 -0.05 -0.05 0.10 0.06 0.07 0.01 -0.02 0.04 0.01 -0.01 0.04 0.02 -0.00 -0.01 0.02 -0.00 -0.03 0.04 -0.02 -0.02 0.04 -0.01 -0.04 0.11 0.03 -0.02 0.14 0.08 0.17 -0.13 0.06 -0.01 -0.07 -0.02 -0.02 0.05 0.10 -0.06 0.05 0.05 -0.09 0.06 0.06 -0.11 0.08 0.07 -0.03 0.01 0.05 0.02 -0.09 -0.03 0.06 0.06 -0.08 0.06 0.08 -0.02 0.07 0.08 -0.05 -0.17 -0.18 0.12 -0.07 0.03 0.02 -0.08 -0.00 -0.06 -0.04 0.03 0.07 0.05 -0.06 -0.07 0.06 -0.01 0.06 0.01 0.03 -0.08 -0.03 0.01 0.03 -0.00 -0.01 -0.00 0.05 0.02 0.08 -0.04 -0.01 -0.04 0.01 0.00 -0.01 0.01 -0.01 0.01 0.05 0.01 -0.03 0.00 -0.08 0.06 -0.14 -0.23 0.21 -0.09 -0.03 0.07 0.09 0.44 -0.20 -0.03 0.03 0.05 -0.02 -0.01 -0.03 0.14 -0.07 -0.08 0.03 -0.01 0.02 -0.13 -0.00 0.06 -0.06 0.04 -0.04 0.07 -0.05 -0.14 0.04 0.03 -0.03 0.07 0.02 0.09 0.04 0.03 0.03 0.02 0.00 -0.01 -0.00 0.05 -0.12 0.05 0.02 -0.02 0.03 0.02 -0.01 -0.03 0.02 0.02 0.01 -0.03 0.02 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.08 -0.22 0.00 -0.08 -0.03 0.16 0.13 -0.17 -0.11 0.04 0.07 -0.02 -0.16 -0.04 0.09 -0.08 -0.06 0.21 -0.15 -0.11 0.05 -0.07 -0.04 -0.02 -0.00 0.04 0.01 -0.02 -0.01 0.00 0.06 0.01 -0.03 -0.01 -0.06 0.00 0.04 -0.01 -0.01 -0.10 0.04 0.16 -0.07 0.00 0.11 -0.01 0.13 0.10 -0.09 -0.11 -0.10 0.10 0.11 -0.13 -0.01 -0.15 -0.00 -0.04 0.16 0.05 0.03 -0.11 -0.00 0.01 0.00 -0.03 -0.06 -0.13 0.00 0.08 0.09 -0.03 0.00 0.01 -0.02 0.02 -0.02 -0.09 -0.07 0.07 0.00 0.12 -0.12 -0.00 -0.10 0.09 0.02 -0.06 0.01 0.10 0.15 -0.09 0.02 -0.02 -0.03 -0.02 -0.00 -0.02 -0.06 0.05 0.03 -0.02 0.01 -0.01 0.19 -0.04 -0.09 0.14 -0.15 0.12 -0.10 0.09 0.19 -0.07 0.01 0.10 -0.08 0.01 -0.14 -0.11 -0.02 -0.18 -0.04 0.02 0.00 -0.03 0.03 0.29 -0.07 -0.03 0.03 -0.07 -0.04 0.02 0.05 -0.04 -0.02 -0.02 0.07 -0.03 -0.01 0.06 -0.03 0.04 0.00 0.01 -0.05 -0.16 0.36 0.12 0.13 0.02 -0.05 0.10 -0.12 0.07 -0.02 -0.05 -0.03 -0.05 -0.01 -0.06 0.03 0.03 -0.03 0.01 0.02 -0.09 0.05 0.05 0.03 0.02 -0.06 -0.01 -0.04 -0.01 0.01 -0.04 -0.01 0.08 -0.01 0.05 0.03 -0.04 -0.01 -0.14 0.11 0.00 0.03 -0.02 0.05 -0.02 -0.02 0.06 0.05 -0.06 -0.01 -0.05 -0.01 -0.01 -0.04 -0.04 -0.08 0.03 0.02 0.05 0.01 0.05 0.00 -0.00 -0.00 -0.00 0.09 -0.02 -0.07 -0.08 0.09 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.05 -0.01 -0.01 0.02 -0.06 -0.00 0.04 -0.04 -0.08 0.10 0.04 -0.16 -0.01 0.07 -0.06 0.07 0.09 0.04 0.01 0.04 0.22 -0.14 -0.11 -0.02 -0.00 0.05 -0.01 -0.05 -0.01 0.05 -0.10 0.04 0.05 -0.00 -0.10 -0.03 0.10 0.06 0.05 0.04 -0.02 -0.08 0.02 -0.18 0.01 0.04 -0.02 -0.09 0.10 0.20 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.03 -0.01 -0.02 0.04 -0.02 0.02 0.00 0.02 -0.07 -0.00 0.38 0.09 0.03 0.25 0.07 -0.10 0.13 -0.26 0.11 0.13 0.07 0.00 -0.00 0.18 -0.12 -0.11 0.20 -0.12 -0.12 0.23 -0.16 -0.13 -0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.05 0.02 -0.01 -0.00 0.04 0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.02 0.00 -0.04 -0.00 -0.01 -0.03 -0.03 0.02 0.02 0.03 -0.01 -0.02 0.03 0.02 0.04 -0.02 -0.00 0.06 -0.02 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.01 0.03 0.01 -0.02 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.06 0.01 -0.02 -0.08 0.04 0.13 -0.11 -0.04 -0.11 0.04 0.05 0.09 -0.04 -0.01 -0.02 0.00 0.01 0.00 0.02 -0.01 0.01 0.00 0.03 -0.01 -0.04 -0.03 -0.02 0.01 -0.04 0.01 -0.02 -0.05 -0.02 0.04 0.03 -0.09 -0.06 -0.04 -0.02 0.01 0.05 -0.02 0.10 -0.01 -0.02 0.03 -0.01 0.00 0.44 -0.03 -0.01 0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.03 -0.01 -0.02 -0.01 0.02 -0.04 0.02 -0.04 0.01 -0.04 -0.02 0.02 0.47 -0.06 -0.03 0.53 -0.02 -0.05 0.09 0.15 0.30 -0.16 -0.01 -0.00 0.05 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 0.03 0.01 0.02 0.04 -0.04 0.00 0.05 -0.04 -0.00 -0.01 0.01 0.05 0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 -0.02 -0.00 0.02 0.03 0.02 -0.03 -0.04 0.03 0.01 0.04 -0.02 0.02 0.09 -0.02 0.01 -0.05 0.00 0.01 0.01 0.00 0.02 0.03 -0.02 -0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 0.04 0.01 -0.04 0.02 -0.05 -0.08 -0.09 -0.14 0.12 0.05 0.11 -0.05 -0.02 -0.11 0.02 0.01 0.02 -0.01 -0.02 -0.02 -0.05 -0.03 0.02 0.02 0.05 -0.02 -0.02 -0.06 -0.04 0.03 -0.01 0.02 -0.02 -0.03 -0.03 -0.01 0.02 -0.06 -0.06 -0.02 -0.00 0.03 0.02 0.01 0.08 -0.00 -0.01 0.01 -0.03 0.04 0.47 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.03 0.01 -0.02 0.01 -0.02 -0.02 0.04 0.43 -0.03 -0.06 0.50 0.04 0.02 -0.06 -0.12 -0.35 0.17 -0.00 -0.01 -0.09 -0.02 0.03 0.01 -0.03 0.03 0.02 -0.01 0.02 0.01 -0.01 -0.00 0.04 0.01 0.03 0.02 -0.00 -0.02 0.01 -0.08 0.00 -0.00 0.01 0.01 0.01 0.09 -0.04 0.01 0.03 0.04 0.20 -0.05 0.03 0.04 0.15 0.05 -0.00 -0.07 -0.08 -0.13 0.03 -0.05 -0.07 -0.01 0.08 0.08 0.02 0.04 -0.05 -0.03 -0.06 -0.04 0.01 0.04 -0.05 -0.09 0.01 0.03 -0.02 -0.02 -0.00 0.01 -0.03 -0.00 0.08 -0.00 0.04 0.02 -0.17 -0.00 -0.02 0.09 -0.04 -0.03 -0.01 0.05 0.05 -0.02 -0.05 -0.02 0.01 0.05 -0.06 -0.04 -0.13 -0.03 0.02 0.02 0.01 0.00 0.22 0.02 0.07 -0.04 0.15 0.17 -0.14 0.13 -0.07 -0.32 -0.09 0.17 -0.02 0.13 0.02 -0.02 -0.17 0.15 -0.06 0.07 0.12 -0.14 -0.04 0.09 -0.07 0.18 0.06 -0.06 0.00 0.07 0.05 -0.14 0.06 0.15 0.05 0.05 0.06 -0.07 0.16 -0.07 0.13 -0.06 0.17 0.02 0.08 -0.04 0.05 -0.16 -0.13 -0.10 -0.00 0.02 0.06 0.18 -0.03 -0.02 -0.09 -0.19 -0.01 0.01 0.02 -0.03 0.02 0.03 -0.03 0.03 0.04 0.01 0.00 -0.05 -0.01 -0.05 -0.03 0.01 0.04 0.05 -0.05 -0.03 -0.04 -0.01 -0.01 -0.02 -0.13 0.05 -0.02 0.03 -0.02 -0.03 -0.01 -0.10 0.01 0.03 0.06 -0.02 0.01 -0.07 -0.06 0.04 0.07 0.11 -0.07 0.04 0.18 -0.07 0.00 -0.21 -0.00 0.01 0.01 -0.02 0.06 -0.11 -0.07 -0.01 0.07 0.01 -0.00 -0.00 0.00 0.01 0.00 0.10 0.09 0.11 0.02 -0.12 -0.01 0.07 -0.03 0.03 0.04 -0.05 -0.07 -0.06 0.05 0.07 0.04 -0.08 -0.12 0.11 0.08 0.23 0.01 -0.01 -0.01 0.09 -0.04 -0.03 -0.05 -0.10 0.10 0.02 0.05 -0.07 -0.10 -0.05 -0.20 0.01 -0.01 -0.04 -0.03 0.02 0.07 -0.02 0.10 0.22 -0.01 -0.02 0.02 -0.01 0.12 0.01 -0.02 -0.01 0.01 0.01 -0.01 -0.01 0.03 -0.01 -0.03 -0.01 -0.01 -0.01 0.01 -0.03 0.02 -0.02 0.01 -0.03 0.08 0.16 -0.24 -0.04 -0.12 -0.34 -0.10 0.04 -0.06 0.14 -0.09 -0.14 0.03 0.16 0.37 -0.03 0.01 -0.01 0.01 -0.02 -0.05 0.01 -0.03 -0.05 -0.00 -0.00 -0.03 -0.01 -0.02 -0.02 0.02 0.01 0.00 -0.04 0.04 -0.02 -0.00 -0.00 -0.01 -0.07 0.02 -0.01 -0.02 0.07 0.19 -0.01 0.15 -0.04 0.03 0.02 0.03 -0.03 0.01 -0.06 0.02 -0.08 -0.10 0.00 -0.00 -0.03 0.06 -0.02 0.08 -0.02 -0.05 -0.04 -0.06 -0.03 0.06 0.09 -0.05 -0.03 -0.03 -0.02 -0.00 0.00 -0.03 -0.00 -0.06 -0.05 -0.05 -0.00 0.04 -0.02 -0.01 -0.03 0.04 0.02 -0.03 -0.07 -0.02 0.03 0.05 0.05 -0.06 -0.10 0.08 0.06 0.18 -0.02 0.01 0.00 -0.02 0.04 0.20 0.09 0.20 -0.19 0.03 0.16 -0.10 0.09 -0.01 0.11 -0.03 -0.03 -0.09 0.07 -0.01 -0.04 -0.01 -0.03 -0.17 0.07 0.13 -0.14 0.04 -0.15 0.13 0.18 0.06 -0.06 -0.00 0.07 0.06 -0.15 0.07 0.15 0.05 0.03 0.06 -0.07 0.16 -0.07 0.12 -0.06 0.17 -0.02 -0.12 0.16 -0.04 0.03 0.28 -0.05 0.06 -0.03 0.15 -0.16 -0.10 0.01 0.13 0.29 -0.05 0.02 0.00 -0.01 -0.01 -0.03 -0.01 -0.01 -0.03 0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 0.03 0.04 0.03 -0.09 -0.04 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.09 0.05 0.06 -0.03 0.11 -0.13 -0.10 -0.02 0.10 0.06 0.02 -0.09 0.06 -0.05 0.07 -0.00 -0.02 0.19 0.05 -0.04 -0.17 -0.01 -0.01 -0.00 0.01 -0.04 -0.09 0.09 -0.04 0.05 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.08 -0.01 0.08 -0.03 0.13 -0.02 0.09 -0.02 -0.02 0.02 0.01 0.06 -0.02 0.00 -0.01 -0.03 0.05 0.06 -0.05 -0.02 -0.09 0.03 -0.02 -0.01 0.08 -0.02 0.07 -0.06 0.05 -0.15 -0.09 0.12 -0.04 -0.03 -0.02 0.32 0.01 -0.28 -0.29 0.06 0.13 0.23 0.13 -0.07 -0.20 0.03 0.04 -0.03 0.02 -0.17 0.10 0.08 0.03 -0.04 0.05 0.04 -0.01 -0.07 0.04 0.05 0.01 -0.01 0.02 -0.01 0.02 -0.01 -0.00 -0.00 0.03 -0.01 -0.07 -0.22 -0.05 0.13 -0.20 -0.00 -0.02 -0.06 -0.19 0.08 0.09 -0.00 -0.07 -0.17 0.05 -0.03 -0.02 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 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.05 -0.11 0.07 0.03 -0.01 -0.05 0.05 0.02 0.04 -0.08 0.02 -0.09 -0.05 0.03 0.01 0.00 0.03 0.02 0.00 0.00 0.01 0.02 -0.05 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.07 0.01 0.02 0.06 -0.04 0.03 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 -0.09 0.02 0.07 0.16 -0.01 0.10 0.18 0.42 -0.07 -0.18 -0.19 0.31 0.01 0.40 0.12 0.13 -0.29 0.23 -0.33 -0.01 -0.02 -0.03 0.00 -0.04 -0.01 -0.04 -0.02 0.04 -0.14 -0.00 0.08 -0.02 -0.01 0.02 0.08 -0.11 0.10 0.01 -0.05 0.04 -0.01 -0.02 0.02 -0.02 -0.02 0.04 0.00 -0.00 0.03 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 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 -0.03 -0.05 0.05 0.03 0.10 -0.04 -0.01 -0.03 0.01 -0.06 -0.15 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 -0.00 0.01 -0.00 0.02 0.00 0.00 0.03 0.01 -0.02 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.01 0.00 -0.02 0.36 0.80 -0.40 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 -0.02 -0.00 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.06 0.00 -0.06 -0.01 -0.13 -0.00 0.03 -0.06 -0.10 0.06 0.14 0.09 -0.07 0.08 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.02 -0.02 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.07 -0.01 -0.01 -0.06 0.04 -0.02 0.01 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.16 -0.09 -0.00 0.01 -0.08 -0.41 -0.02 0.11 -0.25 0.21 0.07 0.02 -0.24 0.30 0.14 0.47 -0.05 0.06 -0.02 0.09 -0.15 -0.06 -0.06 0.08 0.01 -0.01 -0.14 -0.06 0.01 -0.01 0.16 -0.02 -0.12 0.04 -0.01 -0.07 -0.10 0.11 -0.12 0.02 0.00 -0.02 -0.00 0.01 -0.04 -0.01 0.02 0.14 -0.01 -0.02 0.02 -0.00 0.00 0.01 0.01 -0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.11 0.03 -0.01 0.12 0.05 0.05 0.08 -0.14 -0.11 -0.07 -0.02 -0.09 0.03 0.03 0.18 0.01 0.01 -0.01 0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.01 0.01 0.01 0.01 0.03 -0.01 -0.01 -0.01 0.01 0.00 -0.03 -0.04 -0.02 0.01 0.04 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.45 0.19 -0.04 0.15 0.13 0.09 0.01 -0.22 -0.34 -0.08 -0.01 -0.18 -0.27 0.08 -0.22 0.04 0.17 0.30 -0.11 0.19 0.13 0.04 -0.05 0.03 0.01 0.01 -0.09 0.05 0.02 -0.03 0.07 0.02 -0.02 -0.04 0.02 0.02 -0.05 0.01 -0.06 0.04 -0.07 0.03 -0.05 0.02 -0.07 -0.01 -0.07 0.10 0.06 0.04 0.04 -0.01 0.01 0.00 0.02 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.02 -0.05 -0.04 -0.03 0.08 0.07 0.01 -0.00 0.01 0.03 -0.02 -0.00 -0.08 -0.06 -0.08 -0.07 0.09 0.02 0.06 -0.03 0.12 0.07 -0.03 -0.06 -0.06 -0.04 -0.05 0.04 0.04 0.02 0.09 0.03 -0.03 -0.02 -0.02 0.10 0.03 0.01 -0.05 -0.01 0.03 0.00 0.11 -0.01 -0.01 -0.07 0.08 -0.02 -0.03 -0.08 0.03 0.00 -0.03 0.01 -0.10 0.05 -0.00 -0.05 -0.02 -0.04 0.02 -0.01 -0.01 0.02 -0.01 -0.04 0.04 -0.00 0.05 -0.02 0.01 0.01 -0.07 -0.11 -0.05 -0.12 0.11 0.17 0.14 0.09 0.28 0.14 -0.05 0.13 0.07 -0.08 -0.08 -0.00 0.12 0.08 -0.09 0.02 -0.19 -0.10 -0.20 0.19 -0.02 -0.00 0.03 -0.13 0.00 0.00 0.26 -0.04 -0.20 0.09 -0.02 -0.16 -0.17 0.11 -0.21 0.09 -0.13 0.04 -0.10 0.06 -0.19 -0.02 -0.08 -0.12 0.14 -0.02 -0.12 -0.03 0.04 0.10 0.12 -0.16 -0.00 -0.00 0.04 0.10 -0.03 0.02 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 0.01 -0.02 0.07 0.07 -0.03 -0.10 -0.11 -0.01 -0.00 -0.01 -0.04 0.02 0.00 -0.00 -0.06 0.01 0.06 0.02 0.05 0.01 0.07 -0.01 0.02 -0.06 -0.01 -0.06 0.02 -0.05 -0.03 0.02 -0.05 -0.00 -0.00 0.06 -0.03 -0.05 0.09 -0.04 -0.00 0.07 0.01 -0.03 -0.09 0.10 -0.02 -0.01 -0.09 0.06 -0.03 0.02 0.04 0.03 -0.01 0.00 -0.01 0.13 -0.04 0.00 0.05 -0.00 0.05 -0.03 0.01 0.01 -0.01 0.01 0.02 -0.04 0.02 -0.04 0.02 -0.01 -0.01 -0.07 -0.05 0.02 0.16 0.19 0.08 0.04 0.16 0.01 0.16 -0.05 -0.16 -0.03 0.13 0.03 0.04 -0.03 -0.10 -0.17 0.10 0.02 -0.05 -0.11 0.12 -0.03 -0.06 0.42 -0.06 0.02 -0.02 0.24 -0.02 -0.17 0.03 -0.00 -0.08 -0.16 0.18 -0.21 0.05 -0.01 -0.02 0.01 0.01 -0.08 0.04 0.04 -0.30 -0.11 -0.01 0.17 -0.06 -0.04 -0.14 -0.14 0.08 0.03 -0.00 -0.03 -0.10 0.03 -0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.03 -0.05 -0.03 -0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.09 -0.15 0.04 -0.01 0.15 -0.10 0.02 -0.09 0.05 0.04 0.08 -0.04 0.02 0.01 0.03 -0.02 0.05 0.02 0.05 0.03 0.05 -0.06 -0.00 0.00 0.01 -0.01 0.00 -0.10 -0.06 0.03 0.01 0.07 -0.03 0.03 0.01 -0.00 0.08 -0.00 -0.01 -0.01 0.03 0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.05 0.01 -0.09 -0.23 -0.07 -0.03 0.13 -0.21 0.05 -0.00 0.05 0.08 -0.05 0.06 0.09 0.07 0.00 0.07 0.04 -0.01 0.03 0.00 -0.03 -0.02 -0.06 -0.03 0.55 -0.05 -0.05 0.05 -0.19 -0.03 0.11 0.07 -0.03 -0.01 0.09 -0.17 0.12 0.01 -0.09 0.07 -0.09 0.03 -0.04 0.05 -0.01 -0.49 0.00 -0.01 0.09 -0.07 0.00 -0.04 -0.02 -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 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.01 -0.04 -0.05 0.03 0.05 0.08 0.01 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.02 0.05 0.13 -0.05 -0.02 -0.11 0.04 -0.04 -0.01 0.01 0.01 0.01 -0.00 0.01 0.03 -0.03 0.03 -0.04 -0.00 0.04 -0.01 -0.01 0.01 0.03 0.01 -0.09 -0.01 0.03 -0.11 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.02 0.11 0.01 -0.00 -0.00 -0.07 0.02 -0.00 -0.03 0.01 -0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.01 0.00 0.00 -0.02 0.05 0.04 0.16 -0.09 -0.13 -0.14 0.03 -0.16 -0.02 0.01 -0.04 -0.09 0.03 -0.05 0.07 -0.05 -0.04 0.03 -0.02 -0.03 0.03 0.06 -0.03 -0.04 0.07 0.60 0.06 0.02 -0.03 0.04 0.03 -0.00 -0.06 0.03 0.05 -0.01 0.04 -0.01 -0.02 0.05 -0.03 0.05 -0.02 0.04 0.03 -0.02 -0.59 0.06 0.00 0.02 0.04 0.04 0.09 0.07 -0.03 -0.01 0.00 0.01 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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.08 -0.02 0.01 0.08 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 -0.01 0.01 0.00 0.02 -0.02 -0.05 0.01 -0.01 0.05 0.00 0.00 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.30 -0.13 0.02 -0.01 0.01 -0.01 0.45 -0.08 -0.08 -0.29 0.06 0.30 0.12 -0.01 0.16 -0.21 0.17 -0.34 0.35 -0.27 0.13 0.12 -0.09 -0.14 0.00 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 -0.01 0.02 -0.00 -0.01 -0.03 -0.04 0.11 0.04 0.08 0.00 0.00 0.00 0.01 -0.00 0.00 0.12 -0.07 -0.01 -0.11 0.10 0.07 0.02 0.05 -0.04 -0.04 -0.06 -0.05 0.04 0.04 0.02 -0.10 0.04 0.01 -0.05 -0.05 -0.01 -0.02 0.02 -0.01 -0.02 -0.02 -0.05 0.14 -0.09 -0.00 0.01 0.06 -0.01 -0.02 -0.04 0.03 -0.06 -0.02 0.01 -0.02 0.05 0.01 -0.01 -0.03 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 -0.04 0.01 0.00 -0.00 -0.00 0.14 -0.13 0.02 -0.02 0.33 0.21 -0.03 -0.03 -0.16 0.05 -0.05 -0.20 -0.04 0.13 0.05 0.01 -0.08 -0.09 -0.09 0.13 0.26 -0.10 -0.01 0.02 0.12 -0.13 0.11 -0.09 -0.12 0.08 -0.20 -0.11 0.07 0.33 -0.11 -0.15 -0.05 0.15 -0.09 0.07 0.05 -0.03 0.19 -0.12 0.10 -0.02 -0.07 -0.05 -0.18 0.04 -0.10 0.11 0.02 0.09 -0.03 0.04 0.01 0.00 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.02 -0.00 -0.03 -0.02 0.04 0.00 0.01 -0.03 0.01 0.02 0.02 -0.00 -0.01 0.02 0.01 0.01 -0.06 0.02 0.00 0.01 0.00 0.00 -0.03 0.01 0.05 0.06 0.04 -0.03 -0.01 -0.08 0.02 0.01 -0.00 0.05 0.01 -0.00 -0.09 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.02 0.07 -0.02 -0.04 -0.04 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.05 0.05 -0.03 0.00 -0.05 0.06 0.07 -0.01 -0.00 -0.04 -0.20 0.12 -0.03 -0.01 0.01 -0.33 -0.06 -0.07 0.04 -0.06 -0.09 -0.01 0.28 -0.08 -0.15 0.01 0.16 -0.00 -0.01 0.16 -0.08 0.29 -0.18 0.24 0.03 0.00 -0.33 -0.00 -0.01 0.55 -0.02 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 0.01 -0.00 -0.00 -0.01 -0.01 0.03 0.01 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 0.00 -0.03 0.01 -0.01 0.02 0.00 -0.01 0.01 -0.02 0.01 -0.01 0.03 -0.00 -0.03 0.01 -0.01 -0.02 -0.01 -0.01 0.06 -0.03 0.01 -0.01 -0.00 -0.02 0.03 -0.02 0.06 -0.06 -0.05 0.02 -0.00 0.08 -0.03 -0.01 -0.00 0.06 0.00 0.01 -0.09 -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 -0.02 0.01 0.00 -0.00 0.00 0.07 -0.01 -0.00 -0.00 0.07 0.01 0.02 -0.01 -0.00 0.04 -0.02 -0.04 0.04 0.03 0.07 -0.03 -0.01 -0.03 -0.04 0.04 0.08 0.23 -0.09 0.01 0.05 -0.03 -0.32 0.10 0.09 -0.06 0.09 0.11 0.01 -0.33 0.09 0.18 -0.02 -0.12 -0.01 -0.00 -0.12 0.06 -0.25 0.16 -0.21 0.03 -0.02 -0.34 -0.09 0.00 0.52 0.03 0.01 0.03 -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 -0.00 0.01 0.01 -0.01 -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.04 0.06 0.02 -0.10 -0.01 -0.12 0.06 -0.08 -0.11 0.15 -0.05 0.08 -0.14 0.09 0.06 -0.01 0.02 0.03 0.01 -0.00 0.03 -0.01 -0.03 0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.04 0.00 -0.05 -0.01 -0.04 -0.02 -0.02 0.00 0.00 -0.02 -0.00 0.01 0.04 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.06 0.02 0.00 0.00 0.00 0.15 0.25 -0.08 -0.14 -0.02 -0.07 0.06 -0.13 -0.10 0.24 -0.05 0.11 0.24 -0.01 0.19 -0.20 0.18 0.14 -0.22 0.15 0.10 0.09 0.14 -0.06 -0.02 -0.03 0.26 0.16 0.07 -0.08 0.11 0.08 -0.01 -0.21 0.07 0.14 -0.02 0.13 -0.03 -0.04 0.14 -0.09 0.14 -0.08 0.13 -0.00 -0.01 0.11 0.01 0.01 -0.23 0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.05 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.12 -0.08 0.07 0.10 -0.27 0.06 -0.01 -0.03 -0.04 0.02 0.05 0.07 -0.02 -0.00 -0.03 0.06 0.01 0.07 0.05 0.01 0.01 -0.05 0.01 -0.02 -0.00 -0.02 -0.05 0.04 -0.02 0.02 -0.03 0.03 0.03 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.02 0.01 0.02 0.01 -0.03 0.03 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 0.01 -0.01 -0.03 -0.02 0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.02 0.01 0.00 -0.02 -0.00 -0.06 0.06 -0.02 -0.01 -0.04 0.01 0.57 -0.21 -0.00 -0.01 -0.02 0.12 0.05 -0.02 -0.07 0.02 0.05 -0.02 -0.06 -0.09 0.07 -0.02 0.00 0.06 0.01 0.05 -0.06 0.04 0.03 -0.07 0.06 0.06 0.07 0.02 -0.01 0.04 0.01 0.07 0.06 0.03 -0.03 0.03 0.04 0.01 -0.10 0.03 0.07 -0.02 0.04 -0.03 -0.01 0.04 -0.03 0.02 -0.01 0.01 -0.04 -0.00 0.00 0.01 -0.00 -0.05 -0.03 0.09 0.06 -0.01 0.02 -0.06 -0.01 0.53 -0.17 0.12 -0.07 -0.03 -0.01 0.02 0.05 -0.02 0.05 0.05 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 0.09 0.16 -0.11 -0.00 0.00 0.05 -0.02 0.01 0.04 -0.08 0.02 -0.02 0.08 -0.03 -0.00 0.02 -0.00 0.01 -0.02 0.00 -0.00 -0.02 -0.06 0.04 0.00 -0.00 0.00 0.02 -0.01 0.01 0.02 -0.07 -0.00 -0.07 -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 -0.01 0.00 -0.00 0.00 0.00 0.17 0.29 -0.18 -0.19 -0.09 0.32 -0.02 -0.24 0.30 -0.14 0.03 -0.10 -0.13 0.04 -0.05 0.11 -0.09 -0.06 0.13 -0.08 -0.02 -0.00 -0.03 0.02 0.02 -0.01 -0.01 0.11 0.09 -0.08 0.21 0.08 -0.08 -0.28 0.08 0.11 -0.08 0.21 -0.11 0.00 0.14 -0.10 0.24 -0.14 0.14 -0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.10 0.04 -0.05 0.02 -0.02 0.00 -0.01 -0.02 -0.03 0.03 0.03 0.04 -0.09 0.02 -0.03 0.14 0.09 0.31 -0.07 0.04 -0.01 0.03 -0.02 -0.04 0.07 -0.00 0.05 -0.01 -0.02 0.04 0.01 0.02 -0.04 -0.05 -0.01 0.02 -0.03 -0.01 -0.02 -0.04 0.01 -0.00 -0.04 0.00 -0.02 0.02 -0.01 0.01 0.03 -0.01 -0.01 0.02 -0.02 0.01 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.01 0.02 -0.05 -0.08 0.06 0.01 0.05 -0.17 -0.02 -0.19 -0.18 -0.05 0.04 0.04 -0.04 -0.06 -0.26 0.14 -0.03 0.15 0.02 -0.24 0.11 -0.07 0.29 0.08 -0.01 -0.05 0.01 0.07 0.10 0.00 -0.08 -0.12 -0.01 0.01 0.10 -0.07 0.03 -0.00 0.04 0.04 -0.01 0.01 0.02 -0.02 0.07 0.00 -0.04 -0.02 0.01 -0.01 0.03 -0.03 0.04 -0.01 -0.00 0.01 -0.00 -0.01 0.03 0.02 -0.02 0.00 -0.07 -0.01 -0.02 0.00 0.01 0.09 -0.36 0.06 -0.20 -0.17 -0.04 0.04 0.28 -0.16 -0.08 0.04 -0.01 0.06 0.02 0.04 0.05 -0.03 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.06 0.01 0.04 0.03 -0.01 0.00 -0.04 -0.03 -0.09 -0.10 0.05 -0.01 0.05 -0.02 -0.07 0.09 -0.00 0.08 -0.02 -0.04 0.06 0.03 0.04 -0.06 -0.07 -0.00 0.03 -0.05 -0.01 -0.04 -0.05 0.02 -0.00 -0.04 -0.01 -0.02 0.03 -0.02 0.01 0.04 -0.01 -0.01 0.02 -0.03 0.01 0.00 0.02 0.00 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.01 0.02 0.02 -0.02 -0.00 -0.01 0.05 0.01 0.07 0.04 0.02 -0.02 -0.01 0.01 0.02 -0.39 0.20 -0.04 0.24 0.06 -0.38 0.15 -0.13 0.44 0.13 -0.03 -0.11 0.02 0.14 0.18 -0.01 -0.14 -0.22 -0.00 0.02 0.20 -0.09 0.04 -0.01 0.06 0.03 -0.02 0.00 0.03 -0.02 0.09 0.00 -0.06 -0.03 0.02 -0.02 0.04 -0.04 0.06 -0.01 -0.01 0.01 -0.01 -0.01 0.04 0.03 -0.02 0.00 -0.12 -0.01 -0.02 0.06 0.03 0.03 0.05 0.02 0.07 0.05 0.02 -0.03 -0.08 0.04 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.10 -0.04 0.05 -0.03 0.05 -0.00 0.02 0.02 0.03 0.00 -0.04 -0.04 0.01 0.03 0.08 0.03 0.01 0.06 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.01 0.01 0.02 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.02 -0.02 0.01 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.01 0.00 -0.00 0.04 0.00 -0.02 0.03 0.02 -0.04 -0.02 -0.07 0.04 -0.04 -0.03 -0.16 0.01 -0.11 0.22 -0.01 -0.06 0.08 0.01 0.08 -0.04 0.02 -0.00 0.03 0.05 -0.02 -0.02 -0.04 0.04 0.03 -0.02 -0.06 -0.00 0.04 0.05 -0.01 -0.04 -0.06 0.02 0.00 0.07 0.01 -0.01 0.00 -0.08 -0.13 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.07 -0.04 0.01 -0.00 0.04 -0.00 0.07 -0.03 -0.11 -0.36 0.12 -0.10 0.22 -0.01 -0.05 -0.42 0.23 0.12 0.16 -0.15 -0.31 0.16 -0.26 -0.27 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.04 0.08 0.04 0.06 0.01 -0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.02 -0.02 0.01 -0.03 0.05 0.13 0.05 -0.02 0.03 0.11 -0.04 -0.04 -0.10 0.01 -0.10 -0.08 -0.04 -0.06 -0.02 0.03 -0.05 0.02 -0.00 -0.10 -0.04 -0.02 -0.08 -0.03 -0.01 0.02 -0.03 -0.01 0.02 -0.01 0.02 0.12 0.07 0.01 0.00 0.04 0.00 0.02 -0.03 -0.01 0.03 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 0.01 0.02 0.18 -0.03 -0.02 -0.05 -0.04 0.16 0.17 0.24 -0.05 -0.02 0.07 0.38 -0.08 -0.17 -0.29 0.15 0.14 0.20 -0.17 0.08 -0.20 -0.08 0.04 -0.01 -0.12 -0.10 0.01 0.07 0.04 -0.05 0.10 0.03 -0.04 -0.07 0.02 0.03 0.02 -0.04 0.02 0.02 -0.05 0.04 -0.00 -0.00 -0.00 0.29 -0.15 0.01 -0.20 0.03 -0.01 0.04 0.08 0.08 -0.17 0.09 0.02 0.00 0.01 -0.01 -0.10 0.06 0.03 0.02 -0.03 -0.06 0.02 -0.05 -0.05 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.02 -0.01 -0.02 -0.00 0.01 0.02 0.03 -0.00 0.02 -0.03 -0.01 -0.04 -0.01 -0.00 0.00 0.01 -0.04 0.01 0.02 0.00 -0.01 0.02 0.03 -0.00 -0.02 -0.03 0.01 -0.01 0.03 -0.01 -0.00 0.03 0.01 -0.02 0.01 -0.00 -0.01 0.06 0.00 0.13 0.04 0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.12 -0.02 -0.01 -0.01 -0.11 -0.00 0.02 -0.02 -0.01 0.06 -0.02 0.01 0.02 0.00 0.02 -0.03 -0.00 -0.03 -0.05 -0.00 -0.01 0.03 0.02 0.07 0.04 -0.03 0.01 -0.03 -0.10 0.01 0.02 0.02 -0.04 -0.06 0.03 0.06 0.02 -0.06 -0.05 0.00 0.07 0.10 -0.01 -0.01 -0.11 -0.04 0.02 -0.00 0.31 0.44 0.03 0.03 0.01 -0.02 0.03 0.01 -0.01 -0.01 0.00 0.00 0.02 -0.04 0.02 0.00 -0.03 0.02 -0.02 0.01 -0.01 -0.32 0.23 -0.04 -0.04 -0.13 0.01 -0.02 0.01 0.04 -0.32 0.14 -0.01 -0.05 -0.00 -0.01 -0.33 0.18 0.10 0.08 -0.08 -0.20 0.07 -0.16 -0.17 -0.08 -0.03 0.03 -0.03 0.04 -0.01 0.01 0.02 0.03 0.03 -0.04 -0.02 -0.04 0.01 -0.01 0.03 0.03 0.09 -0.01 0.01 -0.00 0.01 -0.04 0.02 0.05 0.02 -0.01 0.01 0.04 -0.01 -0.02 -0.04 0.01 -0.04 0.01 -0.02 -0.03 0.01 0.01 -0.05 0.02 -0.00 -0.01 0.01 0.01 0.09 0.02 0.01 0.02 -0.02 -0.01 0.02 -0.00 0.01 -0.07 0.01 -0.00 -0.02 -0.06 -0.00 0.02 -0.00 0.01 -0.05 0.01 -0.03 -0.03 -0.01 -0.04 0.01 0.01 0.03 0.18 -0.03 -0.03 -0.03 -0.03 -0.09 0.06 -0.02 0.00 -0.00 -0.06 0.02 0.06 0.04 -0.02 -0.06 0.03 0.10 0.00 -0.07 -0.08 0.03 0.07 0.10 -0.05 0.01 -0.10 -0.08 0.03 -0.00 0.23 0.31 0.02 0.04 0.02 -0.03 0.06 0.02 -0.03 -0.04 0.01 0.01 0.02 -0.05 0.03 0.01 -0.05 0.04 -0.03 0.02 -0.02 -0.20 0.18 -0.03 -0.16 -0.08 -0.00 0.07 -0.04 -0.06 0.21 -0.09 0.02 0.22 -0.07 -0.08 0.42 -0.24 -0.13 -0.08 0.09 0.24 -0.08 0.19 0.21 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.02 0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.03 0.00 0.02 -0.00 0.03 -0.01 0.03 0.02 -0.05 -0.00 -0.02 0.03 -0.00 -0.07 -0.01 0.01 0.02 0.00 0.18 -0.08 0.01 -0.04 -0.01 -0.00 -0.00 0.02 -0.00 -0.06 0.07 0.04 -0.09 -0.00 -0.05 0.01 0.04 0.00 -0.00 -0.04 -0.00 0.02 -0.02 -0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.41 0.18 -0.03 0.02 -0.10 -0.25 0.05 -0.01 0.23 0.07 -0.00 0.19 0.05 -0.10 -0.09 0.16 -0.03 0.02 -0.07 0.07 -0.02 0.32 -0.14 0.02 0.05 0.15 0.00 -0.18 -0.09 0.13 -0.22 -0.07 0.09 0.14 -0.04 -0.04 -0.09 0.21 -0.11 -0.04 0.19 -0.15 0.13 -0.08 0.06 -0.02 0.08 -0.00 -0.10 -0.05 -0.01 -0.01 0.04 0.02 -0.10 0.05 0.01 0.04 -0.02 -0.03 0.04 -0.02 -0.01 -0.01 0.01 0.03 -0.02 0.03 0.03 -0.02 -0.01 0.01 -0.01 0.01 -0.00 -0.02 -0.01 -0.02 -0.01 0.03 0.03 0.01 -0.01 -0.02 -0.02 0.02 0.02 -0.01 -0.01 -0.03 0.00 -0.02 -0.03 -0.00 -0.02 -0.02 -0.02 -0.02 0.04 -0.01 -0.02 0.02 -0.04 0.05 0.01 0.05 0.00 0.02 0.03 0.01 0.01 -0.02 0.03 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.01 0.00 0.02 -0.03 -0.01 0.05 -0.02 0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.04 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.04 -0.05 0.15 0.25 0.07 0.11 0.35 0.05 -0.34 0.02 -0.35 0.13 0.02 0.19 -0.12 0.13 0.17 0.30 -0.27 -0.29 0.05 0.01 0.00 -0.06 -0.12 0.02 0.01 -0.01 0.00 -0.02 0.01 0.02 0.01 -0.00 0.02 0.00 0.04 -0.00 -0.02 0.05 -0.03 0.02 -0.02 0.04 0.06 -0.09 0.01 0.07 -0.00 0.00 -0.04 0.07 0.04 -0.22 0.11 0.02 0.07 -0.05 -0.06 0.04 -0.04 -0.01 -0.00 0.00 0.04 -0.05 0.04 0.04 0.03 0.01 -0.01 0.01 -0.02 0.01 0.03 0.02 0.03 0.04 -0.05 -0.04 -0.01 0.05 0.02 0.04 -0.03 -0.03 0.03 0.01 -0.01 -0.02 -0.03 0.02 0.01 0.03 -0.04 0.01 0.01 -0.02 -0.01 -0.05 0.05 -0.05 0.02 -0.00 -0.01 0.01 0.02 0.00 -0.00 -0.02 0.03 -0.03 0.00 0.03 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.04 0.04 0.02 -0.10 0.03 -0.01 0.02 -0.01 -0.01 -0.05 0.02 -0.01 -0.06 0.03 0.02 0.02 -0.05 0.04 -0.17 0.08 -0.02 0.17 0.13 -0.18 0.09 0.14 0.18 -0.24 0.03 -0.12 0.19 -0.07 0.11 0.01 0.11 0.18 0.12 -0.11 -0.23 -0.01 -0.05 0.01 0.04 0.01 0.03 -0.03 0.00 0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 0.01 -0.02 0.02 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.25 -0.01 -0.02 0.11 -0.11 -0.07 0.42 -0.21 -0.05 -0.12 0.09 0.11 -0.04 0.14 -0.03 -0.12 0.12 -0.06 0.26 -0.11 -0.14 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.01 0.03 0.06 -0.04 -0.01 0.00 0.01 -0.01 -0.01 0.00 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 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.03 -0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.01 -0.01 -0.06 -0.12 0.05 0.05 -0.02 -0.00 -0.04 -0.02 0.06 -0.02 -0.01 -0.05 0.05 -0.01 0.02 -0.06 0.02 -0.03 -0.00 -0.03 -0.05 -0.02 0.02 0.06 0.01 0.03 -0.00 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.07 0.00 0.01 -0.03 0.03 0.02 -0.11 0.07 -0.00 0.04 -0.03 -0.04 0.15 0.24 -0.15 -0.49 0.44 0.08 0.57 -0.08 -0.17 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.06 0.14 0.03 0.01 0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.03 -0.02 0.01 -0.03 0.01 0.01 -0.03 -0.07 -0.13 -0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.02 0.02 0.07 -0.00 0.04 0.07 -0.00 0.01 0.00 0.02 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.06 -0.12 0.16 -0.03 -0.16 -0.18 -0.08 -0.16 -0.17 0.01 -0.02 -0.06 0.23 -0.00 0.23 -0.20 0.18 0.19 -0.00 -0.02 -0.05 -0.18 -0.38 0.04 -0.02 -0.05 0.00 -0.30 0.00 0.09 0.09 -0.10 -0.15 0.01 -0.01 -0.17 -0.12 -0.02 -0.16 0.20 -0.23 0.13 -0.00 -0.01 -0.17 0.02 -0.02 0.00 0.02 0.00 0.00 -0.03 0.04 0.02 -0.11 0.06 0.01 0.03 -0.02 -0.02 0.02 0.00 -0.01 -0.03 0.03 0.02 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.01 0.01 -0.01 -0.02 -0.01 0.01 0.01 0.08 -0.05 0.01 -0.08 0.00 0.08 -0.07 0.05 -0.09 0.03 0.01 -0.08 -0.00 -0.01 0.08 0.01 0.01 -0.01 0.04 0.03 0.01 -0.09 0.04 0.01 0.01 0.01 0.01 -0.00 -0.02 -0.00 0.03 -0.04 -0.03 0.05 0.01 0.01 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 0.02 -0.01 0.00 0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.24 0.10 -0.01 0.16 0.05 -0.40 -0.05 -0.31 0.40 -0.03 -0.01 0.08 0.13 -0.09 -0.04 0.21 -0.09 -0.02 -0.02 0.04 -0.07 -0.16 0.10 -0.01 -0.12 -0.28 0.01 0.12 0.04 -0.07 0.09 0.04 -0.02 -0.09 0.03 0.04 0.05 -0.11 0.07 -0.00 -0.08 0.06 -0.10 0.07 -0.04 -0.06 0.07 -0.01 0.19 0.00 0.02 -0.05 0.04 0.02 -0.18 0.09 0.02 0.04 -0.03 -0.04 0.02 -0.01 -0.01 -0.03 0.02 0.03 -0.01 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.05 0.01 0.04 0.01 0.00 0.02 0.02 -0.01 0.00 -0.03 0.00 -0.02 0.16 -0.02 -0.12 -0.07 0.00 0.02 -0.01 0.00 0.02 0.06 0.01 0.01 -0.07 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.07 -0.06 -0.00 0.05 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.13 0.05 -0.00 -0.21 -0.47 -0.10 0.14 0.34 0.08 -0.08 0.02 0.01 0.06 -0.07 -0.03 0.12 -0.03 -0.01 -0.13 0.10 0.06 0.05 -0.03 0.01 -0.07 -0.24 -0.01 -0.03 -0.02 0.02 -0.03 -0.01 0.01 0.04 -0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.02 0.03 -0.02 0.00 -0.05 -0.09 -0.01 0.55 0.11 0.05 0.04 -0.04 -0.03 0.08 -0.04 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 -0.01 0.02 -0.00 -0.04 -0.02 -0.04 0.00 0.03 0.04 -0.10 0.06 0.05 -0.04 0.00 -0.03 -0.00 -0.00 -0.00 -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 -0.04 0.00 0.03 0.01 -0.00 0.00 0.01 -0.01 -0.04 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.03 0.00 0.03 -0.02 0.00 0.05 -0.04 -0.03 0.08 0.04 0.13 0.04 0.04 0.13 -0.06 -0.02 -0.10 0.02 -0.04 -0.08 0.07 -0.03 -0.02 0.03 -0.02 0.00 0.07 0.13 0.01 -0.03 -0.07 -0.02 0.03 -0.01 0.01 -0.01 0.01 0.00 -0.03 0.01 0.01 0.02 -0.02 -0.01 0.00 0.03 -0.02 -0.05 -0.08 -0.01 -0.02 0.02 -0.00 0.03 0.00 -0.02 -0.03 0.01 -0.00 -0.01 0.02 -0.02 0.03 -0.01 0.00 0.01 -0.01 0.00 -0.09 0.14 -0.01 0.22 -0.01 0.02 -0.08 0.09 0.07 0.67 -0.37 -0.16 0.13 -0.16 -0.25 -0.00 -0.02 -0.01 0.08 -0.06 -0.08 0.04 -0.07 -0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.06 0.11 -0.00 -0.03 -0.09 0.01 -0.02 -0.08 0.05 0.02 0.03 -0.03 0.03 0.02 -0.01 0.02 0.01 0.01 0.02 0.01 -0.04 -0.11 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.06 -0.02 0.03 0.04 -0.03 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.06 0.10 -0.16 0.05 0.39 0.09 -0.13 0.35 -0.18 0.04 -0.10 -0.24 0.00 -0.25 0.23 -0.19 -0.20 0.11 -0.09 -0.08 -0.09 -0.25 0.08 -0.01 -0.05 0.02 -0.02 -0.12 0.06 -0.16 -0.08 0.04 0.21 -0.05 -0.08 0.04 -0.15 0.05 -0.09 -0.07 0.05 -0.16 0.12 -0.10 0.02 -0.03 0.01 -0.07 -0.01 -0.01 -0.01 0.01 0.01 0.04 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.03 0.04 -0.04 0.02 0.02 0.04 -0.01 0.03 0.03 -0.02 -0.02 -0.02 0.01 -0.03 -0.01 0.02 0.02 -0.00 -0.01 0.00 -0.00 -0.04 -0.07 0.13 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.09 0.04 0.01 -0.08 0.01 -0.02 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.02 0.00 0.01 0.02 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.04 0.13 -0.07 0.00 -0.18 -0.22 -0.07 -0.02 -0.17 0.08 -0.03 0.02 0.19 0.02 0.20 -0.16 0.17 0.17 -0.05 0.04 0.01 -0.13 -0.23 0.21 0.03 0.07 -0.00 0.25 -0.13 -0.03 -0.22 0.01 0.16 0.20 -0.04 0.07 0.14 -0.15 0.18 -0.25 0.09 -0.05 -0.18 0.13 0.03 0.14 -0.19 0.01 -0.22 -0.01 -0.02 -0.01 0.02 0.00 0.04 -0.03 -0.02 0.03 -0.03 -0.05 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 0.01 0.00 0.01 0.03 -0.01 -0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.02 0.03 -0.02 0.00 0.00 -0.01 0.03 0.02 0.02 -0.02 0.01 0.01 0.00 -0.02 -0.02 -0.03 -0.07 0.01 -0.01 0.01 -0.00 -0.00 -0.04 0.04 -0.04 -0.03 -0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.03 0.01 0.00 -0.03 -0.03 0.07 -0.00 0.07 -0.02 0.01 0.01 -0.00 0.01 -0.05 -0.00 -0.04 -0.00 -0.02 -0.04 -0.01 0.02 0.03 -0.01 0.01 0.02 -0.00 0.00 0.00 0.11 0.02 -0.03 0.14 0.25 0.06 -0.02 -0.07 -0.09 -0.01 0.01 0.00 0.04 0.01 0.07 -0.08 0.09 0.09 -0.02 -0.00 -0.02 -0.01 -0.12 0.08 -0.11 -0.25 -0.01 0.06 -0.05 0.01 -0.09 -0.01 0.06 0.09 -0.02 0.01 0.04 -0.04 0.05 -0.10 0.05 -0.03 -0.06 0.04 0.02 -0.34 0.49 -0.04 0.54 0.03 0.04 0.02 -0.01 0.01 -0.03 0.03 0.04 -0.06 0.06 0.09 -0.00 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 0.08 -0.01 0.01 -0.03 0.09 0.00 -0.02 -0.05 -0.04 -0.02 -0.05 -0.02 0.03 0.05 0.03 0.05 -0.09 0.00 -0.04 -0.09 0.01 -0.04 -0.00 -0.01 -0.02 -0.02 -0.00 -0.05 0.01 -0.01 0.00 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.04 -0.00 0.02 0.02 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 -0.15 0.15 -0.04 -0.12 -0.04 -0.01 0.20 0.59 0.20 0.21 -0.06 0.07 -0.06 0.09 0.02 -0.08 0.00 -0.00 0.24 -0.14 -0.02 -0.14 -0.01 0.01 0.13 0.46 0.02 0.05 -0.00 -0.02 0.03 0.01 -0.01 0.01 -0.01 0.02 0.01 -0.06 0.01 0.01 -0.06 0.04 -0.04 0.03 -0.04 -0.04 0.08 -0.01 0.16 0.04 0.01 -0.01 0.01 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.03 0.04 -0.00 0.02 -0.03 -0.01 -0.05 0.01 0.02 0.05 -0.01 -0.05 0.04 -0.01 0.02 0.06 0.01 0.01 0.00 0.00 -0.03 0.02 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.03 -0.00 0.02 -0.02 -0.01 -0.02 -0.00 -0.02 0.00 -0.01 -0.02 -0.01 0.01 0.02 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.03 0.02 -0.08 -0.24 -0.11 0.00 -0.05 0.06 0.41 -0.09 0.19 -0.38 0.10 -0.26 -0.34 0.18 0.13 0.35 -0.25 -0.16 0.03 0.01 -0.00 -0.08 -0.26 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.03 -0.03 -0.00 0.00 0.01 0.01 0.04 -0.01 0.01 -0.03 0.03 0.04 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 0.06 -0.03 0.02 -0.03 0.03 0.05 0.02 -0.02 -0.02 0.02 0.03 -0.00 -0.01 -0.01 0.01 -0.05 -0.04 0.02 -0.01 0.01 -0.03 -0.01 0.01 0.01 -0.01 -0.03 0.00 0.12 -0.03 0.00 -0.01 -0.02 -0.01 -0.17 0.22 -0.01 -0.02 0.04 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.03 -0.02 -0.00 -0.03 -0.08 -0.00 0.09 -0.06 -0.02 -0.05 -0.01 -0.08 0.02 -0.03 -0.05 -0.06 0.05 0.06 -0.00 0.01 0.01 0.02 -0.02 -0.01 0.08 0.09 -0.04 0.08 0.11 -0.02 -0.08 -0.05 -0.09 0.02 0.00 0.07 0.14 -0.03 0.08 0.14 -0.13 -0.13 -0.09 0.08 0.08 -0.06 -0.04 0.00 0.02 0.13 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.02 -0.00 -0.03 -0.01 0.01 -0.03 0.02 -0.02 0.01 -0.03 0.33 -0.53 0.04 0.37 -0.05 0.02 0.20 -0.10 -0.05 0.12 -0.03 0.05 -0.09 0.13 0.15 0.04 -0.02 -0.01 0.02 -0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.02 0.02 -0.04 -0.02 0.02 -0.02 -0.03 -0.01 0.01 0.01 -0.07 0.05 -0.01 -0.04 -0.03 0.06 0.00 0.00 -0.06 0.01 -0.01 0.01 0.03 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.06 0.01 0.01 -0.03 -0.01 0.02 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.09 0.06 0.02 0.04 0.01 0.05 -0.02 0.02 0.03 0.03 -0.03 -0.04 -0.00 0.00 -0.01 -0.02 0.01 0.01 0.53 -0.09 -0.02 0.30 0.26 -0.24 0.07 -0.03 0.27 0.06 -0.01 0.05 -0.18 0.02 -0.15 -0.13 0.10 0.09 -0.01 0.03 0.08 0.09 -0.07 -0.00 0.05 0.15 0.01 -0.05 -0.02 0.03 -0.03 -0.04 -0.01 0.02 -0.00 -0.05 -0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.06 -0.12 -0.00 0.17 0.03 0.01 0.26 -0.22 -0.11 -0.07 0.01 -0.04 0.06 -0.06 -0.10 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 0.04 -0.04 -0.02 0.02 -0.02 -0.03 -0.01 0.01 0.01 0.09 -0.00 -0.00 -0.01 -0.07 -0.03 -0.01 -0.03 0.08 -0.03 0.03 -0.02 -0.02 0.02 -0.00 -0.08 -0.01 -0.00 0.04 0.01 -0.00 -0.02 -0.02 -0.02 -0.01 0.04 -0.01 0.03 0.04 0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.02 -0.02 0.00 -0.03 -0.02 -0.00 -0.10 0.07 0.02 0.04 0.01 0.06 -0.02 0.03 0.04 0.04 -0.04 -0.05 -0.01 0.00 -0.01 -0.02 0.01 0.01 -0.38 0.38 -0.12 0.02 0.14 0.22 -0.07 0.18 -0.37 0.22 -0.01 0.24 0.02 -0.02 0.00 0.06 -0.08 -0.10 0.04 -0.04 -0.02 -0.08 -0.01 -0.02 -0.07 -0.19 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.05 -0.01 0.02 -0.05 0.03 -0.02 0.01 -0.05 -0.06 0.08 -0.01 0.03 -0.02 0.00 0.29 -0.23 -0.11 -0.06 0.01 -0.04 0.07 -0.07 -0.12 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.04 0.04 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 0.06 -0.02 -0.03 -0.06 0.08 -0.05 -0.10 0.04 0.03 0.01 0.00 0.01 0.02 -0.01 -0.04 0.04 -0.01 0.04 0.00 0.00 -0.02 -0.05 -0.04 0.06 -0.04 0.02 0.02 0.03 0.00 0.00 0.02 0.01 0.01 0.02 0.01 0.04 -0.02 0.00 -0.02 0.01 -0.00 0.05 -0.04 -0.01 -0.02 -0.00 -0.03 0.01 -0.01 -0.02 -0.02 0.02 0.02 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.30 0.32 -0.18 0.24 0.09 -0.31 0.03 0.39 -0.14 -0.02 0.01 0.02 -0.14 -0.03 -0.18 0.08 -0.12 -0.14 -0.13 0.12 0.17 -0.00 -0.03 -0.05 -0.04 -0.08 -0.00 -0.05 -0.02 0.03 -0.01 -0.05 -0.03 0.05 -0.02 -0.06 -0.02 -0.04 -0.03 0.02 -0.05 0.04 -0.03 0.02 -0.06 -0.12 0.20 -0.01 -0.14 0.00 -0.01 -0.25 0.19 0.09 0.02 -0.00 0.02 -0.04 0.01 0.06 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 0.03 -0.01 -0.00 0.01 -0.01 -0.02 0.00 0.00 0.01 -0.07 0.03 -0.01 0.06 0.04 0.04 0.02 -0.07 -0.02 -0.05 -0.02 -0.08 -0.06 0.07 0.07 -0.03 0.00 -0.01 0.01 0.04 0.00 0.01 0.01 0.01 -0.04 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 0.02 0.01 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 0.01 0.38 -0.24 0.06 -0.07 -0.25 -0.12 0.07 0.09 -0.00 0.15 -0.04 0.09 0.34 -0.02 0.28 0.33 -0.29 -0.28 0.21 -0.16 -0.14 0.05 -0.06 0.03 -0.05 -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.02 0.03 -0.02 0.04 -0.07 0.11 -0.01 -0.09 -0.02 -0.01 0.06 -0.03 -0.01 0.01 -0.01 -0.01 0.03 -0.02 -0.04 -0.01 0.01 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 -0.00 -0.00 -0.06 0.02 0.00 -0.01 0.02 0.05 -0.01 -0.01 -0.02 -0.02 -0.00 -0.00 -0.02 -0.10 -0.01 0.06 0.07 0.02 -0.06 0.02 -0.05 -0.05 0.03 0.04 0.05 0.04 0.01 -0.07 -0.05 -0.00 -0.01 -0.02 -0.01 0.09 0.00 0.01 -0.02 -0.05 -0.00 0.01 0.02 0.02 0.01 -0.00 -0.00 -0.02 -0.02 -0.00 0.01 0.05 0.00 0.03 -0.02 -0.01 0.01 -0.02 -0.03 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.03 0.15 -0.08 0.23 0.37 0.16 -0.05 -0.22 -0.14 0.34 -0.03 0.31 0.14 -0.04 0.12 0.11 -0.06 -0.06 0.26 -0.22 -0.23 0.19 0.02 -0.06 0.09 0.19 0.01 -0.05 -0.01 0.03 -0.01 -0.04 -0.03 0.02 -0.00 -0.05 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.03 0.01 -0.01 0.06 -0.12 0.00 0.07 0.06 0.01 -0.15 0.10 0.03 -0.05 0.03 0.01 -0.06 0.04 0.08 0.04 -0.03 -0.02 0.00 0.01 0.05 0.01 0.03 0.03 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.09 0.20 -0.05 -0.02 -0.10 -0.02 -0.02 0.02 0.05 0.01 -0.03 -0.04 -0.02 -0.05 -0.05 0.01 -0.02 0.06 -0.03 -0.01 -0.04 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.02 0.04 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.03 -0.02 0.00 -0.02 -0.01 -0.00 -0.06 0.04 0.01 0.08 -0.06 -0.05 0.05 -0.00 0.04 -0.02 -0.01 -0.03 -0.01 -0.02 -0.04 0.00 -0.05 -0.10 0.09 0.02 -0.01 -0.10 -0.07 0.18 0.07 0.12 0.29 0.09 0.00 0.08 0.17 -0.00 0.18 -0.12 0.10 0.12 -0.16 0.16 0.16 0.04 0.13 -0.08 -0.06 -0.15 0.00 -0.01 -0.01 0.02 -0.01 -0.02 -0.02 0.02 -0.00 -0.03 -0.02 -0.03 -0.02 0.01 -0.03 0.02 -0.00 0.01 -0.03 -0.09 0.14 -0.01 -0.10 -0.01 -0.01 0.10 -0.09 -0.04 -0.29 0.12 -0.01 -0.15 0.23 0.16 0.20 -0.14 -0.10 -0.01 0.03 0.26 0.02 0.19 0.18 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.04 -0.09 0.02 0.01 0.05 -0.03 -0.04 0.02 0.06 -0.02 -0.04 -0.04 0.01 -0.06 -0.08 0.02 -0.03 0.07 -0.04 -0.00 -0.02 0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.05 -0.01 0.01 0.02 0.01 0.01 0.03 0.00 0.01 0.03 0.02 0.01 0.02 0.01 0.02 -0.02 0.00 -0.02 -0.01 -0.00 0.04 -0.03 -0.01 -0.04 0.03 0.02 -0.02 -0.00 -0.02 0.01 0.01 0.02 0.00 0.01 0.02 0.00 0.02 0.05 0.13 0.15 -0.08 -0.07 0.02 0.30 0.06 0.04 0.35 0.22 -0.01 0.20 0.27 -0.03 0.27 -0.17 0.14 0.18 -0.15 0.16 0.15 0.15 0.26 -0.18 -0.04 -0.09 0.00 -0.04 -0.03 0.04 -0.01 -0.06 -0.04 0.05 -0.01 -0.07 -0.03 -0.06 -0.04 0.00 -0.05 0.04 -0.03 0.02 -0.07 -0.02 0.02 0.00 -0.03 -0.01 -0.00 -0.10 0.08 0.04 0.15 -0.06 0.01 0.06 -0.12 -0.06 -0.09 0.07 0.05 0.01 -0.01 -0.13 -0.01 -0.09 -0.09 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.06 -0.02 0.01 0.07 0.03 0.03 0.04 0.03 0.03 -0.02 0.02 -0.03 -0.00 0.01 0.04 -0.01 0.00 -0.02 0.03 -0.00 -0.04 -0.10 0.00 -0.04 -0.02 -0.01 -0.01 -0.03 -0.00 0.01 0.04 0.03 0.02 0.03 0.03 -0.03 0.03 -0.00 0.03 -0.01 0.00 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.18 0.38 -0.24 -0.09 -0.18 -0.15 -0.05 -0.12 -0.14 -0.16 0.00 -0.23 -0.04 -0.02 -0.04 -0.01 -0.04 -0.02 0.08 -0.08 -0.16 0.22 0.49 -0.32 0.01 0.00 -0.00 -0.04 -0.04 0.06 -0.01 -0.09 -0.08 0.09 -0.02 -0.10 -0.06 -0.08 -0.08 -0.01 -0.06 0.07 -0.06 0.05 -0.12 0.04 -0.06 0.00 -0.01 -0.02 -0.00 0.09 -0.06 -0.03 -0.02 0.01 -0.01 0.01 0.03 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.01 0.01 -0.02 0.01 0.00 0.02 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.04 -0.05 0.03 0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.02 0.04 -0.01 -0.02 0.01 -0.00 0.01 -0.01 -0.10 -0.02 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.07 -0.03 0.01 0.10 0.97 -0.12 -0.01 0.01 0.01 0.00 -0.01 -0.05 -0.00 -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 0.03 -0.01 0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.13 0.06 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.05 0.01 -0.03 -0.05 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 -0.06 0.01 0.00 -0.04 -0.03 0.00 -0.01 0.03 -0.01 -0.02 0.01 -0.05 -0.02 -0.03 -0.03 0.01 0.03 0.02 -0.02 0.01 0.04 0.82 -0.37 0.06 -0.01 -0.01 -0.00 -0.05 0.07 0.02 0.13 -0.04 -0.13 0.05 -0.03 -0.16 0.11 -0.06 0.14 -0.08 -0.01 -0.03 0.04 -0.01 0.17 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.06 -0.11 0.07 0.05 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.03 0.00 0.03 0.09 -0.06 -0.01 0.02 -0.00 0.02 0.05 -0.01 -0.13 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.04 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.05 -0.03 -0.02 0.11 -0.04 0.01 -0.59 -0.16 0.73 0.02 0.00 0.01 0.00 -0.02 -0.07 -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.11 -0.01 -0.06 -0.11 -0.01 -0.03 0.02 -0.02 0.04 -0.01 -0.01 0.18 0.10 0.02 -0.04 0.23 -0.00 0.01 0.02 -0.01 -0.10 -0.09 -0.02 -0.03 -0.12 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.17 0.13 -0.01 0.19 -0.05 0.02 -0.02 0.02 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.21 0.30 0.10 0.08 0.39 0.11 0.12 0.00 0.15 0.02 -0.02 0.00 -0.04 -0.00 0.00 -0.12 0.12 0.15 -0.02 -0.07 0.03 -0.02 -0.11 -0.00 0.01 0.02 -0.01 0.02 0.02 -0.01 0.01 -0.01 0.00 0.01 0.03 0.00 0.01 0.01 -0.01 -0.01 0.00 0.01 0.20 -0.38 0.01 -0.32 -0.12 -0.03 0.10 -0.05 -0.03 -0.01 -0.00 -0.01 -0.03 -0.01 0.03 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 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 0.03 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.09 0.01 0.04 -0.06 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 0.01 0.01 -0.01 0.03 0.03 -0.01 -0.01 -0.04 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.12 0.04 -0.00 0.00 0.00 -0.00 0.44 0.03 -0.03 0.26 0.07 -0.29 0.32 -0.19 -0.15 0.09 -0.21 0.30 0.26 -0.32 0.07 0.31 -0.09 0.18 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.09 0.07 0.02 0.03 -0.00 0.01 0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.03 0.07 -0.06 0.00 0.01 -0.00 0.01 0.01 0.00 -0.04 -0.02 0.02 0.02 -0.05 0.03 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.52 -0.24 -0.06 -0.07 0.03 -0.01 -0.06 0.04 -0.02 -0.00 -0.02 0.02 0.02 0.03 0.00 0.03 0.03 0.01 -0.01 -0.01 -0.20 -0.45 0.21 -0.02 -0.06 -0.00 0.19 0.13 -0.08 0.12 0.06 -0.08 0.08 -0.09 -0.13 -0.03 0.14 -0.12 -0.04 0.25 -0.10 -0.12 -0.00 -0.16 0.00 -0.01 0.00 -0.03 -0.01 -0.00 0.02 -0.02 -0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.01 0.02 -0.02 0.01 -0.00 -0.01 -0.02 -0.06 -0.15 0.06 -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 -0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.05 0.02 0.00 0.02 -0.12 -0.21 0.25 -0.04 0.13 -0.05 0.09 0.14 -0.06 0.03 0.03 -0.04 0.02 0.02 -0.02 -0.04 0.02 0.01 0.02 -0.00 0.01 0.03 -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 0.01 0.04 -0.02 -0.02 -0.04 -0.00 -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 -0.02 0.01 0.01 0.00 0.01 -0.03 0.02 -0.00 -0.06 -0.00 -0.00 0.11 -0.11 -0.04 0.20 -0.01 0.15 0.34 -0.34 -0.54 0.26 -0.10 -0.02 0.08 -0.14 -0.13 0.12 -0.08 -0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 0.05 -0.03 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.01 0.04 0.06 -0.05 0.05 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.14 -0.29 0.15 0.02 0.02 -0.01 0.00 0.02 -0.01 0.01 0.00 0.02 -0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.08 0.17 -0.08 0.00 0.01 0.00 0.37 0.02 -0.01 0.23 0.03 -0.28 0.27 -0.16 -0.15 -0.11 0.18 -0.31 -0.24 0.29 -0.05 -0.29 0.09 -0.19 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.01 -0.00 0.14 -0.04 0.03 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.05 -0.00 0.06 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.04 0.00 -0.01 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.00 -0.03 0.01 -0.00 0.01 -0.00 0.00 -0.04 0.04 0.05 -0.00 0.00 0.00 -0.07 -0.00 -0.06 -0.00 -0.00 -0.01 -0.15 0.07 0.01 0.01 0.03 -0.01 -0.02 -0.05 0.01 -0.03 -0.06 0.00 0.02 0.00 -0.00 0.01 -0.02 0.00 -0.02 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.02 0.01 0.08 0.18 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.01 0.04 -0.00 0.01 0.15 0.03 0.01 -0.14 0.13 0.05 0.03 -0.06 -0.09 -0.01 0.01 0.01 0.44 -0.22 -0.03 0.28 -0.43 0.08 0.48 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.06 -0.02 -0.01 -0.01 -0.00 -0.02 -0.02 0.01 0.00 -0.01 -0.01 0.01 0.03 -0.03 0.00 -0.04 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.08 0.13 -0.01 0.16 0.00 0.01 0.00 0.01 -0.01 -0.06 -0.13 -0.00 -0.05 -0.12 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.07 0.00 -0.07 0.03 -0.00 -0.05 0.04 0.02 -0.02 -0.01 -0.04 0.04 0.01 0.07 0.03 -0.01 0.01 -0.01 -0.01 -0.02 0.06 -0.03 -0.02 0.03 0.06 -0.02 -0.05 -0.13 0.02 -0.08 -0.15 0.01 0.06 0.00 -0.02 0.03 -0.06 -0.00 -0.07 -0.03 -0.01 -0.04 0.05 -0.04 -0.03 -0.06 0.03 0.23 0.50 0.02 0.03 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.04 -0.01 -0.01 -0.01 -0.00 0.04 -0.01 0.01 -0.01 -0.04 0.06 0.05 0.01 0.36 0.09 0.03 -0.13 0.13 0.05 -0.03 0.02 0.02 0.02 -0.03 -0.05 -0.30 0.14 0.01 -0.17 0.25 0.06 -0.25 0.05 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.16 -0.07 -0.01 -0.05 0.03 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.04 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.04 0.01 0.02 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.04 -0.02 -0.01 -0.10 0.04 0.00 0.07 -0.00 0.06 -0.07 0.00 -0.05 -0.01 -0.01 -0.02 -0.01 -0.03 -0.05 -0.00 -0.01 0.00 0.01 0.03 -0.00 0.02 0.04 -0.00 -0.02 -0.00 0.01 -0.01 0.02 0.00 0.02 0.01 0.01 0.01 -0.02 0.02 0.01 0.01 -0.01 -0.05 -0.13 -0.00 -0.01 -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 0.01 0.02 -0.06 0.00 -0.04 -0.03 -0.00 -0.08 0.06 0.02 0.07 -0.07 -0.08 0.02 -0.03 -0.07 -0.49 0.28 -0.03 -0.07 0.13 0.42 -0.02 0.37 0.44 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.27 0.57 -0.31 0.10 -0.23 -0.47 -0.02 0.27 0.37 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.01 -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 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.03 -0.00 0.03 -0.01 0.04 0.01 -0.04 -0.03 -0.02 -0.02 0.03 -0.04 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.15 -0.42 0.20 -0.00 -0.29 -0.30 -0.17 0.13 0.19 0.18 0.21 0.31 0.42 0.17 -0.16 -0.18 0.02 -0.22 -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 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.03 -0.01 0.02 0.03 -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 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.04 0.00 -0.05 0.01 -0.06 -0.02 0.07 0.05 0.03 0.02 -0.04 0.08 0.08 -0.03 0.00 0.01 -0.00 0.00 -0.23 -0.18 0.09 0.24 0.31 -0.00 0.26 -0.05 0.41 -0.06 -0.38 0.03 -0.00 0.28 -0.11 0.25 -0.17 -0.37 0.02 -0.02 0.00 0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.03 0.02 0.02 -0.04 -0.00 -0.04 0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.01 -0.01 -0.01 0.01 0.26 0.03 -0.29 0.07 -0.39 -0.12 0.42 0.30 0.21 0.16 -0.28 0.46 -0.06 0.04 -0.01 -0.01 0.02 -0.00 0.07 -0.00 -0.00 -0.05 -0.08 -0.03 -0.06 0.02 -0.06 0.02 0.06 0.04 0.06 -0.03 0.00 -0.04 0.02 0.02 -0.04 0.04 -0.00 -0.05 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.02 0.01 0.02 -0.01 -0.01 -0.01 0.02 -0.02 -0.02 0.08 -0.05 -0.04 -0.00 0.00 -0.00 0.01 0.02 0.00 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.06 -0.00 -0.06 0.05 -0.00 0.00 -0.00 -0.00 0.08 -0.00 0.01 0.08 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.09 -0.00 -0.10 -0.06 -0.01 0.01 -0.02 -0.01 -0.13 -0.01 -0.12 -0.06 0.16 0.28 0.06 -0.03 -0.00 0.03 -0.07 -0.14 -0.01 0.02 0.04 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.04 0.09 0.00 -0.02 -0.00 0.01 -0.00 0.02 0.01 0.11 0.07 0.05 0.04 -0.07 0.12 -0.01 0.02 -0.01 0.01 -0.16 0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.08 -0.01 -0.01 -0.07 0.03 -0.05 0.04 0.08 0.25 -0.27 0.02 0.30 -0.03 0.02 -0.20 0.15 0.05 -0.14 0.06 0.01 -0.19 0.13 0.15 0.28 -0.10 -0.00 -0.09 0.06 -0.28 -0.19 -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 -0.03 0.00 -0.02 -0.03 0.03 -0.03 0.02 -0.00 -0.02 0.00 -0.00 0.02 -0.02 0.02 -0.03 0.00 0.02 0.01 -0.03 0.00 0.04 0.02 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.02 -0.01 0.02 0.04 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.03 -0.07 0.04 0.02 0.03 -0.00 -0.00 -0.01 -0.01 -0.04 -0.00 0.04 -0.01 0.06 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.04 0.07 -0.02 -0.02 0.01 -0.00 0.01 0.41 -0.20 -0.17 0.03 0.25 -0.02 -0.06 -0.39 0.09 -0.12 0.26 0.30 0.28 -0.18 0.03 -0.09 -0.41 -0.09 0.08 -0.01 -0.13 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.03 0.02 0.02 0.02 -0.01 0.00 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.03 -0.01 0.00 0.03 -0.02 -0.02 0.04 -0.02 -0.02 -0.00 -0.01 0.01 -0.01 -0.02 -0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.05 0.07 0.00 0.04 -0.10 0.00 0.01 0.02 -0.02 -0.12 0.06 -0.01 -0.09 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.01 0.02 -0.13 0.00 0.15 0.07 0.01 0.01 -0.01 -0.00 -0.06 -0.00 -0.05 -0.04 0.07 0.13 0.01 -0.00 -0.00 0.01 -0.03 -0.06 -0.01 0.01 0.01 0.01 0.05 -0.02 0.02 0.04 0.01 -0.04 -0.12 -0.00 0.03 0.00 -0.02 -0.00 -0.03 -0.01 -0.10 -0.06 -0.04 -0.03 0.06 -0.11 -0.01 -0.06 0.02 -0.07 0.09 -0.01 -0.03 -0.24 0.12 0.13 0.03 -0.14 0.05 0.02 0.26 -0.07 -0.01 -0.16 -0.20 -0.12 0.09 0.03 0.02 0.18 -0.34 0.33 -0.02 -0.48 0.02 -0.04 0.02 -0.00 0.00 -0.02 0.01 -0.00 -0.09 0.06 0.08 0.06 -0.02 0.00 -0.03 0.02 -0.06 -0.06 -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 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.02 -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 0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.09 0.01 -0.10 0.02 -0.13 -0.04 -0.06 -0.04 -0.03 -0.02 0.04 -0.06 0.02 0.04 -0.06 0.00 0.00 0.00 -0.26 0.12 -0.05 0.18 0.39 0.17 0.31 -0.13 0.16 0.16 0.43 0.18 0.28 -0.12 -0.02 -0.34 0.16 0.13 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 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 0.01 -0.00 0.03 -0.04 -0.04 -0.03 -0.00 -0.04 0.00 0.02 -0.00 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -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 -0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.04 -0.02 -0.01 -0.03 0.00 -0.02 -0.04 -0.01 -0.36 -0.05 0.40 -0.09 0.54 0.16 0.28 0.22 0.15 0.11 -0.20 0.32 0.03 0.04 -0.04 0.01 0.04 -0.00 -0.08 -0.01 0.01 0.06 0.09 0.02 0.08 -0.03 0.07 0.02 0.10 0.01 0.04 -0.06 0.02 -0.08 0.04 0.06 -0.02 0.03 -0.00 -0.02 0.01 -0.00 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.01 0.00 -0.11 0.02 -0.05 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 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -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 -0.02 -0.04 -0.03 0.03 0.04 0.06 -0.00 0.04 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.02 -0.00 0.03 0.01 0.02 0.01 0.01 0.01 -0.01 0.02 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 0.00 0.00 0.05 -0.04 -0.01 -0.00 0.03 0.06 -0.04 0.03 0.05 -0.35 0.13 0.03 0.35 -0.37 0.38 0.59 0.23 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.03 -0.13 0.12 0.05 0.08 -0.04 -0.02 0.03 -0.01 0.00 0.00 0.00 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 -0.08 -0.01 -0.00 0.05 0.05 0.00 -0.00 -0.00 -0.00 0.07 -0.05 -0.02 -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.03 0.00 0.05 -0.08 -0.08 0.07 -0.04 -0.02 -0.09 0.05 0.02 -0.12 0.06 0.02 0.02 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.03 -0.07 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.02 0.01 0.01 0.02 0.02 0.01 0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 0.07 0.15 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.03 -0.02 0.01 0.03 0.00 0.65 -0.55 -0.16 0.20 -0.08 0.00 -0.08 0.07 0.11 -0.02 0.01 0.01 -0.06 0.06 0.01 -0.07 0.01 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.08 -0.07 -0.04 0.08 -0.06 -0.05 0.05 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.08 0.02 0.00 -0.05 -0.02 -0.00 0.00 0.00 0.00 -0.05 0.01 0.01 0.04 0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 0.00 -0.06 -0.02 -0.00 -0.12 0.09 0.05 0.28 -0.15 -0.06 -0.18 0.07 -0.01 -0.22 0.14 0.10 0.03 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.03 0.06 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.01 0.07 -0.01 0.01 -0.45 0.39 0.10 0.44 -0.15 0.07 -0.09 0.11 0.17 -0.13 0.05 0.02 -0.05 0.07 0.07 -0.05 0.04 0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.02 0.01 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 0.02 0.01 0.00 -0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.24 0.02 -0.02 0.16 -0.26 0.01 -0.00 -0.01 0.00 0.18 -0.06 0.02 -0.08 0.17 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.25 0.21 -0.02 0.27 -0.08 0.02 -0.07 0.01 -0.03 0.05 -0.02 0.00 -0.01 0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.05 -0.11 -0.02 -0.05 -0.15 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.23 -0.13 -0.02 -0.00 0.00 -0.00 0.01 0.01 0.00 0.02 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.21 -0.42 0.01 -0.34 -0.16 -0.03 -0.24 0.18 0.07 0.03 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.08 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.03 0.04 0.00 -0.01 -0.04 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.21 -0.22 -0.01 0.04 0.25 -0.00 -0.00 0.00 -0.00 0.18 0.28 0.03 -0.11 -0.28 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.12 -0.01 0.13 0.09 0.01 -0.05 0.03 0.02 0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.07 -0.10 -0.00 0.02 0.09 -0.00 -0.02 0.01 -0.04 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.02 0.01 0.04 0.00 -0.00 0.00 0.15 0.30 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 -0.01 0.01 0.00 -0.10 -0.04 0.00 -0.15 0.07 -0.01 -0.50 0.38 0.11 0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.20 -0.17 -0.31 -0.07 -0.02 -0.05 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.00 -0.00 0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.07 -0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.03 -0.00 0.04 -0.00 0.00 0.32 0.29 0.52 -0.03 -0.03 -0.07 -0.02 0.02 0.03 -0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.03 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 0.00 -0.02 -0.04 -0.00 -0.03 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.07 -0.00 -0.05 -0.02 -0.00 0.39 -0.35 -0.22 0.06 -0.01 0.04 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -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 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 0.36 0.80 -0.01 0.01 -0.01 0.03 -0.00 -0.01 0.00 0.03 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.02 0.03 0.03 0.00 -0.04 -0.14 -0.29 -0.00 -0.00 -0.00 -0.02 -0.08 -0.16 0.09 -0.08 0.08 0.06 0.16 -0.02 -0.07 0.01 0.04 -0.01 -0.04 -0.08 0.05 0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.03 -0.00 -0.03 0.01 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.04 0.08 0.01 -0.00 0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 0.00 -0.00 -0.00 0.05 0.23 0.46 -0.20 0.18 -0.19 -0.15 -0.36 0.05 -0.26 0.04 0.14 -0.08 -0.20 -0.42 0.16 0.34 -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 -0.01 -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 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 -0.02 0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.08 0.18 -0.01 0.01 -0.01 0.02 -0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.03 -0.12 -0.25 0.00 -0.00 -0.00 0.04 0.20 0.41 -0.16 0.14 -0.15 -0.12 -0.27 0.04 0.26 -0.04 -0.14 0.09 0.22 0.48 -0.16 -0.32 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 0.16 0.35 -0.02 0.01 -0.01 0.04 -0.01 -0.01 -0.00 -0.10 -0.01 0.01 0.01 -0.01 0.00 0.03 -0.03 -0.10 -0.10 -0.02 0.10 0.35 0.74 -0.00 -0.00 -0.00 -0.01 -0.02 -0.05 -0.10 0.09 -0.09 -0.07 -0.17 0.03 0.14 -0.01 -0.07 -0.01 -0.02 -0.04 -0.09 -0.17 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 0.01 -0.00 -0.00 -0.00 0.03 0.01 -0.05 -0.02 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.07 0.02 0.01 -0.02 -0.45 -0.04 0.07 0.05 -0.08 0.01 -0.29 0.30 0.53 0.55 0.10 0.01 0.03 0.07 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.12 -0.18 -0.43 0.49 0.41 -0.06 0.14 -0.44 0.37 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.06 -0.02 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.04 -0.03 0.02 -0.06 0.01 0.01 0.04 0.82 0.07 -0.14 -0.10 0.15 0.01 -0.23 0.24 0.23 0.23 0.04 0.02 0.06 0.12 -0.00 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 0.02 -0.02 -0.03 -0.06 0.01 0.03 -0.00 -0.01 -0.01 -0.02 -0.05 -0.03 -0.06 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 -0.03 0.02 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 0.00 -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 0.04 0.20 0.42 0.08 -0.08 0.07 0.20 0.46 -0.08 0.10 0.00 -0.04 -0.08 -0.18 -0.42 -0.22 -0.46 0.08 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.05 -0.03 -0.02 -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 0.01 0.03 0.06 0.01 -0.00 0.00 -0.03 0.01 0.01 0.00 0.05 0.00 0.00 0.00 -0.00 0.01 -0.10 0.11 -0.03 -0.03 -0.01 0.04 0.12 0.26 -0.00 0.00 -0.00 0.03 0.19 0.39 0.05 -0.06 0.05 0.19 0.44 -0.07 -0.04 -0.01 0.01 0.07 0.17 0.39 0.22 0.46 -0.08 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -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 -0.03 0.06 -0.05 -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.03 0.02 -0.02 -0.26 0.07 0.06 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.00 -0.03 0.04 -0.05 -0.05 -0.01 0.00 0.01 0.03 0.00 -0.00 0.00 0.01 0.10 0.17 0.50 -0.42 0.44 -0.17 -0.37 0.04 0.23 -0.03 -0.12 -0.02 -0.03 -0.06 0.04 0.09 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.07 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 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 -0.01 -0.02 0.00 -0.00 0.00 0.07 -0.02 -0.02 -0.00 -0.08 -0.00 0.12 0.07 -0.13 0.05 -0.55 0.61 -0.35 -0.34 -0.08 -0.01 -0.03 -0.07 -0.00 0.00 -0.00 -0.00 -0.03 -0.06 -0.03 0.02 -0.02 -0.01 -0.03 0.01 -0.06 0.01 0.03 -0.00 -0.01 -0.03 -0.04 -0.08 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -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 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.07 -0.01 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.07 0.05 -0.03 0.07 -0.02 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 -0.03 0.04 -0.02 -0.02 -0.00 -0.01 -0.04 -0.10 -0.00 0.00 -0.00 -0.00 -0.05 -0.08 -0.15 0.13 -0.14 0.05 0.09 -0.01 0.73 -0.11 -0.38 -0.06 -0.11 -0.22 0.14 0.32 -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 -0.08 0.02 0.02 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.03 -0.02 0.01 0.89 -0.22 -0.21 0.00 0.03 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.07 0.08 0.02 0.00 0.01 0.03 -0.02 0.01 -0.00 0.00 0.04 0.06 0.17 -0.15 0.15 -0.04 -0.08 0.01 0.02 -0.00 -0.01 0.00 0.00 0.01 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.05 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 0.81 -0.03 0.59 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 0.08 0.54 0.44 -0.06 -0.18 0.51 -0.44 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.05 -0.03 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.01 0.03 0.76 -0.53 0.34 -0.03 0.01 0.01 -0.00 -0.07 -0.01 -0.02 -0.01 0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.08 -0.01 -0.04 -0.00 -0.01 -0.02 0.01 0.02 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.05 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 -0.01 -0.04 0.03 -0.02 0.01 -0.00 -0.00 -0.00 -0.25 -0.03 -0.61 -0.34 0.64 0.01 -0.09 0.10 -0.06 -0.06 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.08 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.22 0.32 0.78 0.21 0.18 -0.04 0.08 -0.30 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 -0.04 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.03 0.00 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 -0.01 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 0.43 -0.19 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 -0.51 -0.38 -0.04 -0.06 0.60 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.03 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 0.68 -0.30 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 0.52 0.39 0.04 -0.02 0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.42 0.18 -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 0.33 0.24 0.02 -0.08 0.78 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.23 0.34 0.91 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 -0.04 -0.04 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.60 0.50 0.62 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.99840 18.99840 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 359.18092 0.99987 0.00508 -0.01506 -0.0055 0.99961 -0.02746 0.01492 0.02754 0.99951 asymmetric 1 0.01581 0.00562 0.00513 0.32943 0.11716 0.10690 1059310.6 20.23 33.21 57.88 73.99 76.23 92.61 121.46 129.92 156.21 174.28 196.91 242.67 249.08 279.52 295.85 316.29 338.12 352.92 361.06 377.96 398.48 428.40 456.50 518.23 559.97 593.01 604.00 635.80 645.31 662.50 710.29 733.48 797.55 812.86 818.41 838.75 861.05 889.77 908.05 981.46 1038.14 1044.03 1065.66 1105.35 1108.50 1145.91 1166.65 1176.94 1210.89 1221.00 1242.86 1263.30 1264.45 1268.53 1278.49 1291.59 1315.18 1353.68 1376.46 1401.67 1403.30 1419.44 1427.67 1453.54 1485.88 1491.54 1536.91 1544.65 1554.65 1571.12 1622.66 1640.36 1647.84 1649.99 1654.30 1673.34 1700.62 1714.05 1716.79 1725.93 1727.98 1753.90 1794.55 1815.61 1827.10 1838.81 1854.84 1883.43 1897.79 1903.83 1905.95 1916.66 1940.65 1947.42 1953.88 1987.71 2021.41 2035.00 2043.59 2053.18 2086.45 2099.66 2124.56 2127.79 2143.42 2152.70 2158.45 2163.02 2168.04 2168.94 2181.27 2191.17 2193.44 2245.77 2269.03 2349.05 2379.05 2468.94 4331.12 4332.98 4339.01 4360.25 4376.74 4391.90 4396.02 4417.59 4430.54 4439.38 4440.98 4445.76 4461.83 4491.09 4493.60 4509.72 4513.57 4528.26 4541.79 4555.17 4578.61 4701.17 5186.37 0.403470 0.427086 0.428030 0.348325 -1215.127868 -1215.104253 -1215.103308 -1215.183014 268.001 91.115 167.754 0.000 0.000 0.000 0.889 2.981 43.529 0.889 2.981 35.609 266.223 85.153 88.615 1 0.593 1.986 7.334 2 0.593 1.985 6.350 3 0.594 1.981 5.248 4 0.596 1.977 4.762 5 0.596 1.976 4.703 6 0.597 1.971 4.319 7 0.601 1.960 3.785 8 0.602 1.956 3.654 9 0.606 1.942 3.294 10 0.609 1.932 3.082 11 0.614 1.917 2.847 12 0.625 1.881 2.450 13 0.627 1.876 2.401 14 0.635 1.848 2.187 15 0.640 1.832 2.082 16 0.647 1.811 1.960 17 0.655 1.787 1.840 18 0.660 1.771 1.764 19 0.663 1.761 1.724 20 0.670 1.741 1.644 21 0.678 1.716 1.552 22 0.691 1.678 1.429 23 0.704 1.641 1.324 24 0.735 1.554 1.121 25 0.757 1.493 1.003 26 0.776 1.444 0.919 27 0.782 1.427 0.893 28 0.802 1.379 0.821 29 0.808 1.364 0.800 30 0.818 1.338 0.765 31 0.849 1.264 0.674 32 0.865 1.228 0.634 33 0.910 1.130 0.535 34 0.921 1.107 0.514 35 0.925 1.099 0.507 36 0.940 1.068 0.480 37 0.956 1.035 0.452 38 0.978 0.993 0.419 0.231716e+26 25.364957 58.404971 0.640923e+10 9.806806 22.581005 0.100000e+01 0.000000 0.000000 0.267562e+09 8.427424 19.404860 0.135122e+08 7.130727 16.419105 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.5699 -1.6900 -1.0073 4.0761 -124.6612 -148.2248 -158.2051 -10.0496 -10.1611 4.1068 19.0358 -4.5278 -14.5081 -10.0496 -10.1611 4.1068 192.0465 10.3689 23.0284 33.7022 -57.6439 -58.8718 52.9787 -10.5120 -6.0538 25.5530 -9269.4357 -2737.7330 -1536.4447 -381.2727 -248.3921 -69.0050 42.3994 40.4686 69.0005 -2005.5992 -1816.9805 -761.3875 151.8161 -24.8558 -18.9076 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1215.5313386 1.547E-9 3.944E-6 0.4034701 0.427086 -1215.1042526 -1215.1033084 -1215.1830136 13.645254,-1.8155444,-11.8297096,9.2913033,-5.6146836,-1.9071135 C01 [X(C20H23F2N3O1)] -1.3769744 -0.7802884 0.2584762 -0.64637 0.0623929 0.4182158 0.0696611 -0.3508053 -0.0290458 0.2115213 -0.0089104 -0.6321574 -0.4192857 -0.1675638 -0.0172438 -0.0729846 -0.9274948 0.0433924 -0.0870763 -0.0626542 -0.4165671 -0.9300958 0.078208 -0.294994 -0.198768 -0.6911203 0.2468163 -0.144987 0.3373793 -0.736833 -1.1817785 -0.4949068 0.0332015 -0.7668548 -0.8348174 0.1316884 0.1719489 0.2335061 -0.4066694 -0.6067222 -0.2764813 0.0728401 -0.278315 -0.2713477 0.0833418 -0.0234283 0.0454006 -0.1538403 -0.7021466 -0.0718402 -0.2331048 -0.0953476 -0.1264492 -0.140581 -0.2269195 -0.1355581 -0.1630036 -0.0301883 -0.072169 -0.0448179 -0.0613166 0.084959 0.0461746 -0.0570986 0.0167405 0.1219893 0.0491586 0.0964325 0.0601169 0.0742429 0.0178549 -0.0178569 -0.0033484 0.0725644 0.0868291 0.2091499 0.04237 -0.019697 0.0797179 -0.0699349 -0.0850207 -0.0687039 0.0019886 0.0495378 0.0334713 -0.0353249 -0.0060735 0.0217772 0.0739701 0.0175144 0.0236202 -0.0387051 -0.0099245 -0.0031695 -0.0009253 -0.0010556 -0.0475673 0.0620169 0.0546835 0.0631329 0.0011922 0.0820363 -0.3671366 0.0500559 -0.0002692 -0.2117841 0.1862646 0.037622 -0.087509 -0.0601766 -0.086129 0.1944465 -0.3130725 -0.0259623 -0.0230938 0.1062984 0.020422 0.0697054 -0.0711481 -0.1057745 0.1577973 0.0386937 -0.011584 0.0133727 0.0822148 0.0362012 0.0049939 0.0078104 0.1015644 1.0483328 0.3612685 0.0461249 0.3082057 0.2414547 0.0775827 0.1694023 0.1331424 0.0331939 -0.0114994 0.0655762 0.0312034 0.0244689 -0.0627585 0.0223769 0.0061579 0.0164325 -0.1264867 -0.0180623 -0.0424549 0.0397725 0.0070846 0.0589087 -0.0532322 0.0138129 -0.026257 0.0926161 -0.0085921 -0.0257986 -0.0036842 -0.0323962 0.0497269 -0.0789773 -0.0141804 -0.0309481 0.0774439 -0.1402324 -0.0536482 0.0180116 -0.0731048 -0.1191588 -0.0044179 0.0052927 0.0010424 -0.1272194 -0.025257 -0.0020655 0.0165868 0.0131436 0.0439914 0.0245546 0.032424 0.0497942 -0.1426522 1.7446212 0.4143526 0.3270492 1.0735043 1.2574495 -0.4287079 0.1124384 -0.5591082 0.8109891 -0.6251445 -0.219887 -0.0573524 -0.2888155 -0.2213481 0.0358849 -0.066422 0.0543445 -0.1571745 0.2531808 -0.0025412 0.2170524 -0.0902385 -0.1566888 0.0860647 0.3017591 0.1109308 -0.0111364 0.5216499 0.3029187 -0.0554235 0.3080229 0.1167719 -0.0223721 0.0495353 0.0380619 -0.0557094 1.0390823 0.0798634 -0.3802698 0.0355429 1.3567788 -0.106728 -0.1725871 -0.0550863 1.2377134 0.5350282 0.2029265 -0.0960239 0.2764536 0.3715135 -0.04473 -0.1696573 -0.069353 0.20345 0.0276187 0.0126704 -0.0070701 0.0072383 -0.01606 0.0619469 -0.0070055 0.0670203 -0.1374951 -0.0365692 -0.0693519 -0.0751261 -0.0547187 -0.026294 -0.0178129 -0.0757286 -0.0352754 -0.0100671 -0.164859 -0.0333341 0.0256064 -0.0698966 0.0039355 0.0248897 0.0370843 0.0141754 0.0297503 0.0157487 0.0493346 -0.0210478 0.0303848 -0.2041893 0.0063391 -0.0409623 0.0202303 0.0681458 0.0519803 -0.028996 0.0734233 0.0085451 0.0469861 -0.0479466 0.0957092 -0.0248137 -0.0223274 0.034429 0.0023318 0.0170963 -0.0499332 -0.0008125 -0.1188956 -0.0237163 -0.0731141 -0.1079047 -0.1058406 0.091138 -0.0337271 0.1660508 -0.0951824 0.0395417 -0.0322859 0.0379954 0.0647039 -0.0098274 -0.0090105 -0.0142805 -0.0009415 -0.0268352 0.0625585 -0.0289954 0.0825916 -0.1058439 -0.083794 -0.0870086 -0.0299163 -0.0506522 0.0338627 -0.0192861 -0.0232123 -0.0220525 0.1223891 0.0365859 0.035576 -0.0532503 -0.020234 -0.0006016 0.112378 0.0246752 0.0819106 -0.0831305 -0.0171958 -0.0774236 -0.0637246 -0.1022357 0.0118367 -0.0513556 -0.0996641 -0.0581441 -0.0318692 -0.0265762 0.082411 0.0581974 0.1432073 -0.1213585 -0.075767 0.0691906 -0.0551439 0.029769 -0.1238459 -0.0612389 0.0442225 -0.0574962 0.0698644 0.0219002 0.0687014 0.0337642 0.014306 0.052889 -0.009568 -0.028422 0.0157378 -0.0087414 0.1281669 -0.0430401 0.040772 -0.0844757 0.0049424 0.11992 0.0386514 0.0912113 -0.1373653 -0.0993184 0.0203928 -0.0770035 0.017389 -0.0599332 0.0865406 -0.0069911 0.088953 0.0313817 -0.0145605 -0.0114812 -0.0132468 0.129926 0.0515239 -0.00343 -0.0039302 -0.0162182 -0.131341 -0.0380471 -0.0130955 -0.0318747 0.1275578 0.2489667 -0.0403184 0.0654086 -0.1039361 0.1393229 0.0130473 0.0131662 -0.036702 0.2766341 0.1413304 -0.0079076 -0.0103232 -0.0198786 0.1147856 0.0511184 -0.0161064 0.040217 0.086384 -0.0358388 -0.0054539 -0.0328294 -0.001973 0.0262225 0.0046376 -0.0519876 0.0048529 -0.0072189 0.0270934 0.018674 -0.0713184 -0.033669 0.0457228 0.0472326 -0.0008543 0.0803536 -0.0173127 -0.1003715 -0.0303746 0.0572173 0.058498 -0.0153511 -0.0147218 0.0467305 0.0130389 0.0765755 0.0013054 -0.05156 0.0395149 -0.0926546 -0.0180388 -0.0286955 -0.0213422 -0.0919771 -0.0019714 312.1906637|20.8974797|261.4044699|3.6546225|-1.7671949|202.30142 -0.000002289 0.000000918 0.000001551 0.000000390 0.000005279 0.000000413 -0.000003996 0.000005369 -0.000006602 0.000010084 0.000009597 -0.000000860 0.000001225 0.000001408 0.000020225 0.000008108 0.000009843 -0.000018684 -0.000000199 0.000001849 0.000002058 0.000001230 -0.000002467 0.000002672 0.000000502 -0.000002691 0.000000150 0.000001494 0.000002496 -0.000003133 -0.000003012 0.000001694 -0.000000919 0.000006170 0.000003575 -0.000000243 -0.000004668 -0.000002173 -0.000003633 0.000000130 -0.000000964 0.000000698 -0.000009793 0.000000921 0.000000148 -0.000001658 0.000001797 0.000000059 -0.000000008 -0.000000616 0.000000452 0.000000601 0.000001450 0.000001341 0.000002476 -0.000002867 0.000000956 0.000001718 -0.000003157 -0.000001351 -0.000001567 -0.000006423 0.000011073 0.000005696 -0.000007282 -0.000002568 -0.000010965 -0.000005307 0.000005976 0.000000840 0.000002024 -0.000008883 -0.000006764 -0.000007501 -0.000006411 0.000000796 -0.000001848 -0.000001414 -0.000000158 -0.000000937 0.000000170 0.000000411 0.000000104 -0.000000735 -0.000000700 0.000000644 0.000000503 -0.000000481 0.000000427 0.000001212 0.000000116 0.000000127 -0.000000129 0.000000449 -0.000000020 0.000000196 -0.000000309 0.000000540 0.000000426 -0.000000800 0.000000018 0.000000389 -0.000000466 -0.000000510 -0.000000516 -0.000000018 -0.000000648 0.000000893 -0.000000601 -0.000000590 0.000000392 -0.000000265 0.000000044 0.000000949 0.000000384 -0.000000113 0.000000854 0.000000476 -0.000000915 0.000000927 0.000000257 -0.000000102 0.000001331 0.000000366 -0.000000008 -0.000001140 -0.000000864 -0.000000376 -0.000001076 0.000003809 -0.000004622 0.000002550 -0.000000374 0.000002062 0.000001334 0.000001427 -0.000002020 -0.000000682 0.000000462 0.000000907 -0.000000794 0.000000011 -0.000000221 -0.000000123 0.000000324 0.000001285 -0.000000002 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; Gaussian 16 22-Jul-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/gas #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction isopyrazam_anti CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2398.3213311667 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 -0.0541070836 0.000000 2.201084 0.000000 4.676158 4.796011 0.000000 3.250963 3.005277 2.285165 0.000000 4.337531 4.373610 4.143437 4.619576 0.000000 3.355443 3.386951 4.586923 4.395458 1.344384 0.000000 5.952089 6.911533 4.604256 4.438221 8.019811 7.972165 0.000000 5.113475 5.905315 3.043631 3.194775 6.594085 6.660051 1.561900 0.000000 6.940208 7.490976 4.914961 4.795726 8.748130 8.780317 1.561719 2.270270 0.000000 6.418588 7.043336 3.149696 4.130820 7.062002 7.401295 2.422542 1.562215 2.445817 0.000000 7.505307 8.013029 4.489553 5.084940 8.519533 8.790723 2.422283 2.445837 1.562256 1.559942 0.000000 4.971695 5.240124 3.090522 2.466097 6.692856 6.634569 2.349740 1.512073 2.339807 2.460002 2.871248 0.000000 6.191943 6.371893 4.335220 3.742457 8.079419 8.018563 2.350104 2.342321 1.512791 2.874856 2.463561 1.406504 0.000000 6.798225 8.065084 5.523508 5.701646 8.711037 8.734618 1.535742 2.649180 2.651782 3.051405 3.052531 3.809604 3.811344 0.000000 4.310688 4.089912 2.862870 1.422078 5.987263 5.816499 3.657556 2.664009 3.666514 3.567276 4.133905 1.388964 2.420874 5.101277 0.000000 6.784916 6.581203 5.177508 4.247793 8.779976 8.642194 3.649048 3.673512 2.646640 4.137199 3.558091 2.437092 1.385034 5.090358 2.827147 0.000000 7.908468 9.169094 6.960240 6.917151 10.177175 10.121409 2.526341 3.972867 3.176584 4.339257 3.861871 4.846397 4.467755 1.535789 6.149348 5.528545 0.000000 6.171364 7.774022 5.638378 5.793919 8.170102 8.123738 2.525840 3.165297 3.973246 3.849715 4.333585 4.460554 4.844592 1.535836 5.540991 6.142038 2.524100 0.000000 5.106390 4.380148 4.022761 2.431566 6.900515 6.641915 4.593060 3.879388 4.252053 4.646488 4.865834 2.402656 2.765187 6.114544 1.404969 2.426286 6.955243 6.703817 0.000000 6.291309 5.680709 5.035632 3.715596 8.241721 8.014283 4.589834 4.266646 3.862334 4.874800 4.637850 2.784593 2.390378 6.109926 2.432335 1.400863 6.693402 6.956348 1.391293 0.000000 3.584170 3.575339 1.224025 1.367338 3.624813 3.746734 4.829342 3.351457 5.278353 3.943148 5.193934 3.123122 4.479189 5.870439 2.473302 5.186832 7.254115 5.836086 3.588138 4.807941 0.000000 3.152297 3.153904 2.353116 2.427753 2.206805 2.277586 6.044978 4.614358 6.673640 5.245476 6.594691 4.526049 5.906875 6.942614 3.785365 6.584725 8.358230 6.629231 4.765836 6.083633 1.488797 0.000000 2.365042 2.370266 3.721642 3.125008 2.125733 1.331445 6.826790 5.548304 7.590865 6.415076 7.719891 5.398931 6.765406 7.708144 4.541485 7.357396 9.050922 7.213805 5.371478 6.734106 2.690615 1.422210 0.000000 4.289104 4.314314 2.836594 3.694464 1.351064 2.237349 6.971297 5.479504 7.584600 5.814839 7.260275 5.579649 6.941426 7.712192 4.959605 7.676447 9.197370 7.343139 5.942825 7.226864 2.506214 1.384721 2.204382 0.000000 1.372707 1.391289 4.640679 3.303868 3.527272 2.404027 6.859129 5.810453 7.674946 6.946122 8.094949 5.499087 6.767655 7.807555 4.574337 7.233268 8.998609 7.281026 5.219040 6.533663 3.463791 2.653668 1.488009 3.676195 0.000000 5.641546 5.683102 5.333828 6.048767 1.454779 2.421049 9.304232 7.869541 10.043130 8.199871 9.695024 8.058901 9.438273 9.887927 7.394876 10.161608 11.379788 9.279723 8.298439 9.632492 4.986414 3.630941 3.510454 2.523321 4.807214 0.000000 5.518894 6.528910 5.068961 4.404864 8.165275 7.935013 1.097018 2.193575 2.191413 3.401520 3.400460 2.554592 2.552137 2.143122 3.638865 3.629094 2.743564 2.749535 4.446415 4.442069 5.033270 6.157651 6.737236 7.225622 6.532746 9.505927 0.000000 4.354888 5.413186 2.752356 2.978501 5.784770 5.823570 2.276821 1.086655 3.315581 2.241851 3.430434 2.207654 3.310265 3.014124 2.946878 4.568312 4.449369 2.977272 4.306650 4.954617 2.907502 3.931370 4.780406 4.766122 5.095024 7.040566 2.667173 0.000000 7.801830 8.350168 5.996865 5.764524 9.819081 9.811070 2.277367 3.317724 1.089510 3.435156 2.247763 3.308818 2.206677 3.020073 4.557036 2.916257 2.992953 4.455594 4.930231 4.275189 6.334954 7.728602 8.599697 8.666615 8.591683 11.123876 2.661844 4.323833 0.000000 6.783812 7.644102 3.586876 4.856344 7.173990 7.604083 2.849411 2.194273 3.190377 1.092625 2.208671 3.420349 3.878724 2.921095 4.499247 5.182973 4.281613 3.507482 5.667727 5.949237 4.456382 5.578588 6.739761 5.973061 7.363330 8.200034 3.873520 2.507533 4.066868 0.000000 6.431633 6.787287 2.473943 3.832071 6.527518 6.985731 3.371159 2.193947 3.215040 1.087324 2.231192 2.646283 3.232302 4.124630 3.403571 4.299110 5.419233 4.809155 4.431588 4.801174 3.454383 4.767379 6.056204 5.216113 6.745979 7.623204 4.245571 2.684930 4.214582 1.760444 0.000000 8.055639 8.291105 4.685437 5.321950 8.819851 9.147768 3.377286 3.212571 2.206094 2.222013 1.091288 3.227168 2.656914 4.132383 4.284547 3.403928 4.834779 5.416501 4.783285 4.423307 5.443880 6.890717 8.079798 7.514693 8.505454 9.977359 4.252187 4.205286 2.707868 2.965319 2.417552 0.000000 8.307978 8.978183 5.328064 6.077472 9.269245 9.589882 2.855898 3.195579 2.197833 2.212042 1.092937 3.878453 3.425108 2.931183 5.184133 4.485005 3.529003 4.286016 5.940999 5.655204 6.099239 7.440503 8.568640 8.021414 8.970265 10.383743 3.878572 4.067506 2.516384 2.366451 2.975248 1.761833 0.000000 7.408836 8.604371 5.457002 6.048473 8.796027 8.984271 2.163782 2.872522 2.871342 2.687836 2.686447 4.146189 4.147298 1.094980 5.469854 5.456984 2.140229 2.139835 6.521592 6.516503 6.019314 7.115437 8.027452 7.726136 8.313889 9.891686 3.052495 3.279247 3.280863 2.283472 3.746201 3.748629 2.289254 0.000000 7.796625 7.598618 6.180900 5.332191 9.857004 9.726350 4.186499 4.493520 2.962657 4.801643 3.900734 3.423528 2.156062 5.486559 3.911737 1.084597 5.657767 6.681716 3.410343 2.165182 6.255147 7.664384 8.439411 8.738056 8.281989 11.231633 4.167686 5.457484 2.835566 5.801610 5.038873 3.640197 4.666674 5.828070 0.000000 7.623634 8.909393 7.298440 6.915629 10.327414 10.128177 2.773025 4.282417 3.521943 4.966406 4.536957 4.958485 4.571785 2.179025 6.148751 5.500834 1.095606 2.804548 6.860591 6.583505 7.415972 8.470315 9.016830 9.423465 8.784983 11.582135 2.536452 4.693323 3.273125 5.041958 6.014330 5.472251 4.393403 3.060369 5.619769 0.000000 8.557737 9.617906 7.219718 7.205245 10.719139 10.710230 2.800482 4.249210 2.865688 4.380360 3.524335 4.924658 4.261162 2.190781 6.265967 5.183047 1.092986 3.487421 6.922823 6.466920 7.591864 8.813940 9.596383 9.658508 9.573700 11.941854 3.135654 4.936787 2.373301 4.449323 5.419186 4.352077 3.095787 2.489312 5.132156 1.768333 0.000000 8.612625 10.017590 7.695170 7.812709 10.764842 10.748704 3.484385 4.810861 4.181286 5.044112 4.642040 5.829917 5.521106 2.181170 7.134691 6.606492 1.094024 2.747090 8.003820 7.776966 8.040667 9.068385 9.750032 9.820536 9.739090 11.897987 3.738741 5.162740 3.984887 4.774424 6.129953 5.623424 4.117665 2.493980 6.714655 1.768345 1.766054 0.000000 5.584775 7.203262 4.845206 5.232670 7.179671 7.212310 2.801650 2.854110 4.245865 3.505091 4.367205 4.254117 4.921708 2.190208 5.201877 6.262937 3.486746 1.092707 6.485695 6.931656 5.071045 5.754648 6.380035 6.365625 6.601917 8.243540 3.148038 2.359460 4.939156 3.066881 4.315884 5.404029 4.444482 2.486034 6.937063 3.821838 4.344300 3.746357 0.000000 5.697832 7.386427 5.981252 5.728803 8.248074 8.021899 2.769785 3.503571 4.283083 4.520853 4.960405 4.559111 4.953541 2.179115 5.505142 6.140709 2.807576 1.095559 6.588489 6.858576 5.958475 6.674742 7.067850 7.524877 6.916561 9.415206 2.540351 3.248528 4.701364 4.368791 5.440390 6.012833 5.047778 3.060058 6.690756 2.643992 3.823425 3.130149 1.767920 0.000000 7.057677 8.764061 6.531610 6.843219 8.901925 8.902725 3.483755 4.172905 4.812319 4.634057 5.041586 5.515229 5.829164 2.180837 6.620232 7.125569 2.743953 1.094062 7.787358 8.003327 6.796218 7.513515 8.082118 8.120113 8.185506 9.919687 3.741412 3.971895 5.169689 4.100960 5.603031 6.130793 4.781996 2.495463 7.593673 3.121120 3.745828 2.512173 1.766442 1.768596 0.000000 5.044893 3.869038 4.400319 2.631951 6.701201 6.356604 5.602505 4.794952 5.334312 5.569083 5.896945 3.383109 3.850137 7.109294 2.152418 3.408020 7.981237 7.586403 1.084954 2.150332 3.775511 4.705360 5.139772 5.872352 4.914022 8.072150 5.398847 5.071337 6.008895 6.559409 5.238910 5.768606 6.980809 7.527337 4.305268 7.842444 7.986177 9.022972 7.297857 7.415816 8.677250 0.000000 7.024565 6.173034 5.971285 4.572528 8.994921 8.720049 5.599799 5.348720 4.783176 5.909370 5.566755 3.868636 3.377833 7.104875 3.408016 2.157973 7.576232 7.981100 2.142104 1.084210 5.693543 6.890827 7.458816 8.029669 7.175462 10.371768 5.392743 6.031340 5.044506 6.992014 5.792269 5.240437 6.551861 7.523307 2.495967 7.410479 7.280028 8.666759 7.993645 7.838502 9.021074 2.465314 0.000000 2.733377 2.054021 3.155933 1.009737 4.576181 4.089923 5.167334 4.061412 5.572638 5.110695 6.010551 3.260504 4.432087 6.438028 2.073927 4.747858 7.582882 6.424173 2.647092 3.998769 2.046651 2.552744 2.785894 3.900501 2.614831 6.017954 4.955036 3.774664 6.477699 5.823434 4.841281 6.242742 7.007942 6.885046 5.811800 7.460264 7.910515 8.487592 5.889935 6.212871 7.475284 2.497255 4.704416 0.000000 5.248337 5.278031 2.738989 4.197322 2.140396 3.256622 7.090871 5.559494 7.597616 5.598910 7.055205 5.762017 7.059435 7.757023 5.289442 7.839189 9.271871 7.485644 6.294512 7.490983 2.875253 2.228677 3.266369 1.077560 4.720234 2.849303 7.498756 4.934122 8.686080 5.673870 4.892445 7.241904 7.754535 7.619065 8.863340 9.617492 9.672500 9.856846 6.484623 7.815989 8.209444 6.311410 8.313006 4.593556 0.000000 2.010716 2.013664 5.653572 4.387741 3.816260 2.504924 7.845752 6.846965 8.716895 7.997217 9.162758 6.569857 7.821275 8.730972 5.642593 8.256469 9.893092 8.094634 6.213445 7.515529 4.500406 3.516452 2.148468 4.303720 1.089977 4.879809 7.467179 6.087359 9.614948 8.367792 7.805520 9.591205 10.020029 9.264471 9.291325 9.630127 10.516813 10.595267 7.415272 7.668452 8.946409 5.826325 8.097679 3.653938 5.379722 0.000000 6.355845 6.413550 5.224989 6.327621 2.077786 3.306672 9.352269 7.879400 10.016922 8.001241 9.503017 8.148729 9.493341 9.877068 7.585895 10.260025 11.398454 9.341910 8.529051 9.810751 5.127384 3.960230 4.196361 2.637923 5.601610 1.089021 9.675933 7.102914 11.105813 7.932427 7.358405 9.738166 10.138251 9.760497 11.306676 11.701091 11.914522 11.884371 8.279778 9.601201 9.940636 8.376109 10.576283 6.452410 2.522801 5.809603 0.000000 6.096294 5.801231 6.002849 6.519760 2.093919 2.742370 10.095027 8.643160 10.763829 9.000213 10.454025 8.680735 10.043145 10.775085 7.880377 10.652839 12.253953 10.212306 8.642546 9.999918 5.564655 4.187799 3.902358 3.200347 5.075160 1.090835 10.252157 7.860122 11.839723 9.084117 8.367441 10.668095 11.198796 10.809252 11.724038 12.418791 12.787347 12.819841 9.197892 10.301307 10.895703 8.285738 10.654134 6.368761 3.565769 5.015101 1.781590 0.000000 5.726957 6.092027 5.960240 6.612072 2.090440 2.705329 9.592035 8.236710 10.469582 8.642903 10.168665 8.556262 9.954765 10.052032 7.973376 10.753630 11.524243 9.289522 8.951504 10.284191 5.585797 4.203033 3.887535 3.226959 5.032821 1.090410 9.753186 7.319974 11.538918 8.549211 8.173271 10.548540 10.799754 10.086905 11.826489 11.699344 12.168184 11.970793 8.247976 9.386644 9.849900 8.770198 11.061934 6.557035 3.608494 4.962926 1.781241 1.780421 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3718,.0576,2.5975;3.0908,1.9536,1.7414;.7965,-.3463,-1.7868;.8186,1.1354,-.0473;4.7366,-1.1871,-.819;4.8152,-.6373,.4053;-3.155,-.7518,.5414;-1.8123,-.6654,-.2518;-3.882,.255,-.4056;-2.27,-1.0593,-1.6926;-3.6923,-.4274,-1.7981;-1.6195,.8343,-.2634;-2.9014,1.4058,-.3549;-3.783,-2.141,.7264;-.4982,1.6513,-.1963;-3.0845,2.7785,-.3794;-5.1613,-2.0283,1.3946;-2.8576,-3.048,1.5509;-.6792,3.0445,-.2034;-1.9524,3.5988,-.2908;1.3776,.1751,-.844;2.7734,-.2257,-.5163;3.6356,-.0519,.6014;3.5368,-.969,-1.4007;3.4248,.6142,1.9152;5.8792,-1.9063,-1.3608;-3.0319,-.304,1.5353;-.9704,-1.2397,.1252;-4.9114,.5158,-.162;-2.3058,-2.1467,-1.7936;-1.5682,-.6813,-2.4321;-3.771,.2992,-2.6085;-4.4621,-1.1861,-1.9604;-3.9247,-2.6119,-.2519;-4.0769,3.2109,-.4453;-5.078,-1.5459,2.3748;-5.8579,-1.4408,.7912;-5.6045,-3.0169,1.5465;-1.8948,-3.2003,1.0571;-2.6629,-2.6097,2.5359;-3.3117,-4.031,1.7072;.1909,3.6897,-.1416;-2.0631,4.6773,-.2894;1.4241,1.6423,.5821;3.2796,-1.3387,-2.3796;4.3153,.5701,2.5423;5.6065,-2.3124,-2.3337;6.7259,-1.2274,-1.4713;6.1522,-2.7197,-.6878; 0.3294286 0.1171557 0.1068950 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= 710 RedAO= T EigKep= 1.14D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.23D-07 NBFU= 706 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= 726 726 726 726 726 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53133859178 -1215.53133859170 0.000000000081 -1215.53133859 2 1.210544611291e+03 -7.635297165315e+03 2.810953991349e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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. PT706.400S 2022-07-22T19:18:59.000 -24.70660 -24.70100 -19.09186 -14.42690 -14.36366 -14.34782 -10.35728 -10.28739 -10.24042 -10.23563 -10.23256 -10.21395 -10.20299 -10.17233 -10.17113 -10.17052 -10.17000 -10.16943 -10.16921 -10.16875 -10.16751 -10.16689 -10.15893 -10.15373 -10.15260 -10.15179 -1.27023 -1.21245 -1.09048 -1.04687 -0.94100 -0.88862 -0.88539 -0.83295 -0.82309 -0.78836 -0.77133 -0.75526 -0.73549 -0.71585 -0.70237 -0.68999 -0.67854 -0.65868 -0.62467 -0.61299 -0.61005 -0.59627 -0.57610 -0.57334 -0.56351 -0.55520 -0.54583 -0.53977 -0.52423 -0.51309 -0.51059 -0.50123 -0.49239 -0.47580 -0.46016 -0.45443 -0.45031 -0.44589 -0.44195 -0.43727 -0.43089 -0.43051 -0.42944 -0.42691 -0.41974 -0.41821 -0.41043 -0.39502 -0.39215 -0.38155 -0.37237 -0.36884 -0.36499 -0.35573 -0.35060 -0.34132 -0.33680 -0.33267 -0.32398 -0.32150 -0.31830 -0.31075 -0.29889 -0.29282 -0.28889 -0.27774 -0.26644 -0.23431 -0.22885 -0.04152 -0.02869 -0.00943 -0.00590 -0.00228 0.00469 0.01055 0.01496 0.01851 0.02495 0.02627 0.02881 0.03374 0.03543 0.03807 0.04235 0.04800 0.04907 0.05381 0.05600 0.05957 0.06305 0.06494 0.06740 0.07240 0.07440 0.08067 0.08161 0.08877 0.08948 0.09539 0.09739 0.09892 0.10079 0.10559 0.10624 0.10871 0.11222 0.11935 0.12142 0.12306 0.12528 0.12904 0.12966 0.13517 0.13852 0.14119 0.14435 0.14742 0.15144 0.15392 0.15642 0.15765 0.16175 0.16505 0.16725 0.16907 0.17090 0.17189 0.17471 0.17722 0.18043 0.18251 0.18500 0.18699 0.18871 0.19199 0.19343 0.19493 0.19616 0.19864 0.20148 0.20446 0.20687 0.21048 0.21205 0.21415 0.21651 0.22013 0.22071 0.22172 0.22632 0.22936 0.23259 0.23451 0.23534 0.23702 0.24014 0.24200 0.24431 0.24458 0.24645 0.25025 0.25233 0.25669 0.26000 0.26245 0.26449 0.26513 0.26885 0.27021 0.27607 0.27786 0.27911 0.28444 0.28830 0.28963 0.29154 0.29225 0.29506 0.29958 0.30626 0.30772 0.31171 0.31357 0.31505 0.31814 0.32075 0.32393 0.32814 0.33128 0.33574 0.33819 0.34116 0.34797 0.35085 0.35174 0.35929 0.36273 0.36364 0.37051 0.37288 0.37784 0.38328 0.39092 0.39155 0.39383 0.39696 0.40166 0.40561 0.41254 0.41739 0.41965 0.42053 0.42509 0.43346 0.44214 0.44608 0.45033 0.45106 0.46052 0.46371 0.47056 0.47242 0.48368 0.48478 0.49370 0.50015 0.50884 0.51402 0.51860 0.52397 0.52543 0.53357 0.53910 0.54871 0.55022 0.55978 0.56503 0.57029 0.57188 0.57628 0.58408 0.58967 0.59162 0.59630 0.60182 0.60455 0.61132 0.61525 0.61796 0.62701 0.63728 0.64214 0.64813 0.64970 0.65900 0.66054 0.66464 0.66632 0.66698 0.67529 0.67782 0.68770 0.69190 0.69455 0.69963 0.70306 0.70419 0.70840 0.70916 0.71394 0.71554 0.72183 0.72301 0.72616 0.72849 0.73282 0.73800 0.74330 0.74685 0.75455 0.75757 0.76185 0.77162 0.77308 0.77701 0.78036 0.78831 0.78976 0.79463 0.80034 0.80523 0.81433 0.82200 0.82516 0.82786 0.83432 0.83972 0.84449 0.85336 0.85776 0.86146 0.86955 0.87371 0.88066 0.88934 0.89339 0.89880 0.90228 0.91086 0.91354 0.93576 0.94062 0.95576 0.95820 0.96443 0.97876 0.98521 0.98926 0.99726 0.99752 1.00337 1.01599 1.01859 1.02581 1.03635 1.05052 1.05390 1.06412 1.07624 1.08073 1.08434 1.09329 1.10024 1.10990 1.11373 1.11919 1.14780 1.15277 1.15748 1.17567 1.18207 1.18548 1.19998 1.21347 1.22278 1.23131 1.24968 1.25906 1.26470 1.27912 1.29009 1.29648 1.30961 1.31778 1.32686 1.34267 1.35076 1.35641 1.36949 1.37307 1.38495 1.40062 1.40656 1.41683 1.43057 1.43239 1.43951 1.44607 1.45215 1.46481 1.46805 1.47839 1.48494 1.49422 1.49863 1.50466 1.50616 1.51015 1.52159 1.52537 1.52774 1.53514 1.53692 1.54008 1.54612 1.55206 1.56304 1.57177 1.57364 1.58360 1.58532 1.58976 1.60115 1.60451 1.61132 1.61293 1.61762 1.62791 1.62910 1.63555 1.64350 1.64964 1.65229 1.65848 1.66802 1.67875 1.68595 1.69024 1.70619 1.70759 1.71536 1.72592 1.73085 1.73523 1.73576 1.74417 1.75803 1.76352 1.76629 1.76970 1.78397 1.78790 1.79477 1.80098 1.80497 1.81771 1.82601 1.83610 1.83773 1.84385 1.85056 1.85874 1.86208 1.87164 1.87821 1.88529 1.89460 1.89731 1.91423 1.91571 1.91720 1.92886 1.94306 1.94474 1.94969 1.95501 1.96695 1.97096 1.98478 1.99573 2.00058 2.00479 2.00538 2.01069 2.02342 2.03625 2.04645 2.04945 2.05373 2.05784 2.06543 2.07291 2.09268 2.10001 2.11223 2.13095 2.13395 2.15201 2.16099 2.16547 2.16577 2.17924 2.18388 2.18808 2.20671 2.21476 2.23011 2.25073 2.26031 2.27289 2.28576 2.29190 2.30021 2.31425 2.33209 2.33727 2.34584 2.35237 2.36506 2.37919 2.38191 2.40350 2.41893 2.43425 2.43715 2.44440 2.45102 2.45331 2.45641 2.46983 2.47601 2.48089 2.49691 2.51156 2.51659 2.51920 2.53616 2.54289 2.55141 2.55935 2.56303 2.57620 2.58220 2.59545 2.60648 2.61207 2.61893 2.62254 2.64232 2.64552 2.64973 2.68549 2.69049 2.70473 2.70798 2.70946 2.72023 2.72623 2.74000 2.74206 2.74650 2.74762 2.75581 2.76647 2.76862 2.77645 2.77723 2.79023 2.79774 2.80301 2.81928 2.82952 2.84218 2.85413 2.86126 2.87548 2.88336 2.90088 2.90616 2.91160 2.92166 2.92711 2.94194 2.94886 2.95437 2.96307 2.97575 2.99739 3.00425 3.00657 3.01339 3.02437 3.04165 3.04408 3.05207 3.06715 3.07071 3.07690 3.08360 3.10356 3.14422 3.15657 3.17031 3.17602 3.18664 3.21758 3.22365 3.24364 3.27932 3.29947 3.29983 3.33478 3.36070 3.38863 3.39807 3.41385 3.41679 3.44125 3.45961 3.48816 3.50822 3.56356 3.58328 3.60976 3.63464 3.67005 3.68068 3.68675 3.69978 3.70397 3.74281 3.76805 3.77546 3.79237 3.79629 3.80446 3.81084 3.82408 3.84416 3.84517 3.84676 3.85582 3.89495 3.93757 3.97707 3.98319 3.99150 3.99523 4.01187 4.04084 4.05388 4.07026 4.07712 4.11139 4.13349 4.13939 4.18157 4.21337 4.25909 4.28865 4.30761 4.33559 4.36687 4.37647 4.39244 4.44222 4.59401 4.76470 4.87324 4.87709 4.90993 4.97797 5.12093 5.14916 5.33846 5.43054 5.84484 6.35326 6.38986 6.41272 6.46308 6.56839 6.66980 23.62386 23.66111 23.75206 23.84880 23.86634 23.89618 23.89859 23.90591 23.94633 23.95914 23.96976 23.98416 23.99599 23.99941 24.02639 24.10181 24.11033 24.11423 24.14797 24.21533 35.49183 35.56627 35.66735 50.06418 66.75913 66.82758 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.078497 -0.108922 -0.273829 0.100756 0.045023 -0.077195 -0.337183 0.184424 0.616322 -0.419682 -0.530093 -0.150672 -0.330445 0.154331 -0.057169 0.048545 -0.553011 -0.546184 -0.037189 -0.173819 -0.711109 1.197428 -1.088442 0.021365 -0.053694 -0.262722 0.133536 0.130861 0.117977 0.134889 0.177742 0.140928 0.141060 0.128276 0.108893 0.139627 0.133093 0.136606 0.137275 0.141415 0.136570 0.111998 0.123231 0.278567 0.147472 0.198647 0.153478 0.184276 0.185247 -0.00000 3.5699 -1.6900 -1.0073 4.0761 -124.6612 -148.2248 -158.2051 -10.0496 -10.1611 4.1068 19.0358 -4.5278 -14.5081 -10.0496 -10.1611 4.1068 192.0465 10.3690 23.0284 33.7022 -57.6439 -58.8718 52.9787 -10.5120 -6.0538 25.5530 -9269.4357 -2737.7330 -1536.4447 -381.2727 -248.3921 -69.0050 42.3994 40.4686 69.0005 -2005.5992 -1816.9805 -761.3875 151.8161 -24.8558 -18.9076 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2022-07-22T00:00:00.000 0 Wavefunction isopyrazam_anti CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.5313386 RMSD=3.589e-10 Dipole=-1.3769744,-0.7802884,0.2584762 Quadrupole=13.645254,-1.8155444,-11.8297097,9.2913032,-5.6146839,-1.9071134 PG=C01 [X(C20H23F2N3O1)] 0 -2.1590035924 0.1702010997 -2.7007529168 0 -2.989519583 1.8865764701 -1.6011749943 0 -0.6538198742 -0.7896820027 1.6212258985 0 -0.7154538442 0.9255250234 0.1125035514 0 -4.5264450784 -1.6652355819 0.4362147659 0 -4.6079691558 -0.9483075841 -0.698128702 0 3.3590156681 -0.6684322799 -0.6330191675 0 1.9980190781 -0.7607190066 0.1277060982 0 4.0152781059 0.2236075049 0.4681393886 0 2.4458993724 -1.3371341293 1.508888131 0 3.8322541258 -0.6612415755 1.7425752756 0 1.7298470978 0.7108041143 0.3492203134 0 2.9793011372 1.322454482 0.5565923678 0 4.0596771424 -1.9852617219 -0.9984458634 0 0.5705014732 1.4754708438 0.369768616 0 3.0926380232 2.6841796751 0.7828162969 0 5.4436358736 -1.7126121791 -1.6058739977 0 3.1977381155 -2.8057252173 -1.9693704244 0 0.6811034054 2.8599590799 0.5816562406 0 1.9227435344 3.4547404368 0.7823074978 0 -1.241308984 -0.1651868149 0.7476705996 0 -2.608415039 -0.579215345 0.3280056783 0 -3.4555537394 -0.286037593 -0.7761154631 0 -3.3510627224 -1.4776597614 1.0754839219 0 -3.2522393566 0.5723066361 -1.9744806434 0 -5.6421647141 -2.5079744266 0.8378912017 0 3.2335384932 -0.0877874751 -1.5552749885 0 1.1937533527 -1.3132225217 -0.3505352669 0 5.0349582462 0.5648483662 0.2925260588 0 2.534293344 -2.4247760417 1.4536612773 0 1.7112778587 -1.1033745589 2.2756746891 0 3.8579574182 -0.0566270583 2.6507001167 0 4.6357940798 -1.3985233576 1.8150327525 0 4.2051830503 -2.585679433 -0.0943956603 0 4.0605779036 3.1485732506 0.9370295627 0 5.3559744461 -1.0978468263 -2.5084988492 0 6.0975971172 -1.1866430427 -0.9056533974 0 5.9389720295 -2.6469626857 -1.8860870571 0 2.2340782006 -3.07283745 -1.5288954966 0 3.0010575145 -2.2390895239 -2.8861530983 0 3.7037571363 -3.7334071598 -2.2527811091 0 -0.2189001964 3.4658120654 0.5895191174 0 1.9791810896 4.526120712 0.9387401105 0 -1.3328704225 1.4892062601 -0.4537372128 0 -3.0952969056 -1.9726560266 1.9978167877 0 -4.1265451931 0.5777178455 -2.6253344911 0 -5.3689109314 -3.0373397342 1.7495218495 0 -6.5239330475 -1.8926600166 1.0217191996 0 -5.8602872478 -3.2273074073 0.0479689527 Gaussian 16 22-Jul-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/gas #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum isopyrazam_anti CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 736 A 710 A 710 1120 736 95 95 2398.3213311667 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 -0.0541070836 0.000000 2.201084 0.000000 4.676158 4.796011 0.000000 3.250963 3.005277 2.285165 0.000000 4.337531 4.373610 4.143437 4.619576 0.000000 3.355443 3.386951 4.586923 4.395458 1.344384 0.000000 5.952089 6.911533 4.604256 4.438221 8.019811 7.972165 0.000000 5.113475 5.905315 3.043631 3.194775 6.594085 6.660051 1.561900 0.000000 6.940208 7.490976 4.914961 4.795726 8.748130 8.780317 1.561719 2.270270 0.000000 6.418588 7.043336 3.149696 4.130820 7.062002 7.401295 2.422542 1.562215 2.445817 0.000000 7.505307 8.013029 4.489553 5.084940 8.519533 8.790723 2.422283 2.445837 1.562256 1.559942 0.000000 4.971695 5.240124 3.090522 2.466097 6.692856 6.634569 2.349740 1.512073 2.339807 2.460002 2.871248 0.000000 6.191943 6.371893 4.335220 3.742457 8.079419 8.018563 2.350104 2.342321 1.512791 2.874856 2.463561 1.406504 0.000000 6.798225 8.065084 5.523508 5.701646 8.711037 8.734618 1.535742 2.649180 2.651782 3.051405 3.052531 3.809604 3.811344 0.000000 4.310688 4.089912 2.862870 1.422078 5.987263 5.816499 3.657556 2.664009 3.666514 3.567276 4.133905 1.388964 2.420874 5.101277 0.000000 6.784916 6.581203 5.177508 4.247793 8.779976 8.642194 3.649048 3.673512 2.646640 4.137199 3.558091 2.437092 1.385034 5.090358 2.827147 0.000000 7.908468 9.169094 6.960240 6.917151 10.177175 10.121409 2.526341 3.972867 3.176584 4.339257 3.861871 4.846397 4.467755 1.535789 6.149348 5.528545 0.000000 6.171364 7.774022 5.638378 5.793919 8.170102 8.123738 2.525840 3.165297 3.973246 3.849715 4.333585 4.460554 4.844592 1.535836 5.540991 6.142038 2.524100 0.000000 5.106390 4.380148 4.022761 2.431566 6.900515 6.641915 4.593060 3.879388 4.252053 4.646488 4.865834 2.402656 2.765187 6.114544 1.404969 2.426286 6.955243 6.703817 0.000000 6.291309 5.680709 5.035632 3.715596 8.241721 8.014283 4.589834 4.266646 3.862334 4.874800 4.637850 2.784593 2.390378 6.109926 2.432335 1.400863 6.693402 6.956348 1.391293 0.000000 3.584170 3.575339 1.224025 1.367338 3.624813 3.746734 4.829342 3.351457 5.278353 3.943148 5.193934 3.123122 4.479189 5.870439 2.473302 5.186832 7.254115 5.836086 3.588138 4.807941 0.000000 3.152297 3.153904 2.353116 2.427753 2.206805 2.277586 6.044978 4.614358 6.673640 5.245476 6.594691 4.526049 5.906875 6.942614 3.785365 6.584725 8.358230 6.629231 4.765836 6.083633 1.488797 0.000000 2.365042 2.370266 3.721642 3.125008 2.125733 1.331445 6.826790 5.548304 7.590865 6.415076 7.719891 5.398931 6.765406 7.708144 4.541485 7.357396 9.050922 7.213805 5.371478 6.734106 2.690615 1.422210 0.000000 4.289104 4.314314 2.836594 3.694464 1.351064 2.237349 6.971297 5.479504 7.584600 5.814839 7.260275 5.579649 6.941426 7.712192 4.959605 7.676447 9.197370 7.343139 5.942825 7.226864 2.506214 1.384721 2.204382 0.000000 1.372707 1.391289 4.640679 3.303868 3.527272 2.404027 6.859129 5.810453 7.674946 6.946122 8.094949 5.499087 6.767655 7.807555 4.574337 7.233268 8.998609 7.281026 5.219040 6.533663 3.463791 2.653668 1.488009 3.676195 0.000000 5.641546 5.683102 5.333828 6.048767 1.454779 2.421049 9.304232 7.869541 10.043130 8.199871 9.695024 8.058901 9.438273 9.887927 7.394876 10.161608 11.379788 9.279723 8.298439 9.632492 4.986414 3.630941 3.510454 2.523321 4.807214 0.000000 5.518894 6.528910 5.068961 4.404864 8.165275 7.935013 1.097018 2.193575 2.191413 3.401520 3.400460 2.554592 2.552137 2.143122 3.638865 3.629094 2.743564 2.749535 4.446415 4.442069 5.033270 6.157651 6.737236 7.225622 6.532746 9.505927 0.000000 4.354888 5.413186 2.752356 2.978501 5.784770 5.823570 2.276821 1.086655 3.315581 2.241851 3.430434 2.207654 3.310265 3.014124 2.946878 4.568312 4.449369 2.977272 4.306650 4.954617 2.907502 3.931370 4.780406 4.766122 5.095024 7.040566 2.667173 0.000000 7.801830 8.350168 5.996865 5.764524 9.819081 9.811070 2.277367 3.317724 1.089510 3.435156 2.247763 3.308818 2.206677 3.020073 4.557036 2.916257 2.992953 4.455594 4.930231 4.275189 6.334954 7.728602 8.599697 8.666615 8.591683 11.123876 2.661844 4.323833 0.000000 6.783812 7.644102 3.586876 4.856344 7.173990 7.604083 2.849411 2.194273 3.190377 1.092625 2.208671 3.420349 3.878724 2.921095 4.499247 5.182973 4.281613 3.507482 5.667727 5.949237 4.456382 5.578588 6.739761 5.973061 7.363330 8.200034 3.873520 2.507533 4.066868 0.000000 6.431633 6.787287 2.473943 3.832071 6.527518 6.985731 3.371159 2.193947 3.215040 1.087324 2.231192 2.646283 3.232302 4.124630 3.403571 4.299110 5.419233 4.809155 4.431588 4.801174 3.454383 4.767379 6.056204 5.216113 6.745979 7.623204 4.245571 2.684930 4.214582 1.760444 0.000000 8.055639 8.291105 4.685437 5.321950 8.819851 9.147768 3.377286 3.212571 2.206094 2.222013 1.091288 3.227168 2.656914 4.132383 4.284547 3.403928 4.834779 5.416501 4.783285 4.423307 5.443880 6.890717 8.079798 7.514693 8.505454 9.977359 4.252187 4.205286 2.707868 2.965319 2.417552 0.000000 8.307978 8.978183 5.328064 6.077472 9.269245 9.589882 2.855898 3.195579 2.197833 2.212042 1.092937 3.878453 3.425108 2.931183 5.184133 4.485005 3.529003 4.286016 5.940999 5.655204 6.099239 7.440503 8.568640 8.021414 8.970265 10.383743 3.878572 4.067506 2.516384 2.366451 2.975248 1.761833 0.000000 7.408836 8.604371 5.457002 6.048473 8.796027 8.984271 2.163782 2.872522 2.871342 2.687836 2.686447 4.146189 4.147298 1.094980 5.469854 5.456984 2.140229 2.139835 6.521592 6.516503 6.019314 7.115437 8.027452 7.726136 8.313889 9.891686 3.052495 3.279247 3.280863 2.283472 3.746201 3.748629 2.289254 0.000000 7.796625 7.598618 6.180900 5.332191 9.857004 9.726350 4.186499 4.493520 2.962657 4.801643 3.900734 3.423528 2.156062 5.486559 3.911737 1.084597 5.657767 6.681716 3.410343 2.165182 6.255147 7.664384 8.439411 8.738056 8.281989 11.231633 4.167686 5.457484 2.835566 5.801610 5.038873 3.640197 4.666674 5.828070 0.000000 7.623634 8.909393 7.298440 6.915629 10.327414 10.128177 2.773025 4.282417 3.521943 4.966406 4.536957 4.958485 4.571785 2.179025 6.148751 5.500834 1.095606 2.804548 6.860591 6.583505 7.415972 8.470315 9.016830 9.423465 8.784983 11.582135 2.536452 4.693323 3.273125 5.041958 6.014330 5.472251 4.393403 3.060369 5.619769 0.000000 8.557737 9.617906 7.219718 7.205245 10.719139 10.710230 2.800482 4.249210 2.865688 4.380360 3.524335 4.924658 4.261162 2.190781 6.265967 5.183047 1.092986 3.487421 6.922823 6.466920 7.591864 8.813940 9.596383 9.658508 9.573700 11.941854 3.135654 4.936787 2.373301 4.449323 5.419186 4.352077 3.095787 2.489312 5.132156 1.768333 0.000000 8.612625 10.017590 7.695170 7.812709 10.764842 10.748704 3.484385 4.810861 4.181286 5.044112 4.642040 5.829917 5.521106 2.181170 7.134691 6.606492 1.094024 2.747090 8.003820 7.776966 8.040667 9.068385 9.750032 9.820536 9.739090 11.897987 3.738741 5.162740 3.984887 4.774424 6.129953 5.623424 4.117665 2.493980 6.714655 1.768345 1.766054 0.000000 5.584775 7.203262 4.845206 5.232670 7.179671 7.212310 2.801650 2.854110 4.245865 3.505091 4.367205 4.254117 4.921708 2.190208 5.201877 6.262937 3.486746 1.092707 6.485695 6.931656 5.071045 5.754648 6.380035 6.365625 6.601917 8.243540 3.148038 2.359460 4.939156 3.066881 4.315884 5.404029 4.444482 2.486034 6.937063 3.821838 4.344300 3.746357 0.000000 5.697832 7.386427 5.981252 5.728803 8.248074 8.021899 2.769785 3.503571 4.283083 4.520853 4.960405 4.559111 4.953541 2.179115 5.505142 6.140709 2.807576 1.095559 6.588489 6.858576 5.958475 6.674742 7.067850 7.524877 6.916561 9.415206 2.540351 3.248528 4.701364 4.368791 5.440390 6.012833 5.047778 3.060058 6.690756 2.643992 3.823425 3.130149 1.767920 0.000000 7.057677 8.764061 6.531610 6.843219 8.901925 8.902725 3.483755 4.172905 4.812319 4.634057 5.041586 5.515229 5.829164 2.180837 6.620232 7.125569 2.743953 1.094062 7.787358 8.003327 6.796218 7.513515 8.082118 8.120113 8.185506 9.919687 3.741412 3.971895 5.169689 4.100960 5.603031 6.130793 4.781996 2.495463 7.593673 3.121120 3.745828 2.512173 1.766442 1.768596 0.000000 5.044893 3.869038 4.400319 2.631951 6.701201 6.356604 5.602505 4.794952 5.334312 5.569083 5.896945 3.383109 3.850137 7.109294 2.152418 3.408020 7.981237 7.586403 1.084954 2.150332 3.775511 4.705360 5.139772 5.872352 4.914022 8.072150 5.398847 5.071337 6.008895 6.559409 5.238910 5.768606 6.980809 7.527337 4.305268 7.842444 7.986177 9.022972 7.297857 7.415816 8.677250 0.000000 7.024565 6.173034 5.971285 4.572528 8.994921 8.720049 5.599799 5.348720 4.783176 5.909370 5.566755 3.868636 3.377833 7.104875 3.408016 2.157973 7.576232 7.981100 2.142104 1.084210 5.693543 6.890827 7.458816 8.029669 7.175462 10.371768 5.392743 6.031340 5.044506 6.992014 5.792269 5.240437 6.551861 7.523307 2.495967 7.410479 7.280028 8.666759 7.993645 7.838502 9.021074 2.465314 0.000000 2.733377 2.054021 3.155933 1.009737 4.576181 4.089923 5.167334 4.061412 5.572638 5.110695 6.010551 3.260504 4.432087 6.438028 2.073927 4.747858 7.582882 6.424173 2.647092 3.998769 2.046651 2.552744 2.785894 3.900501 2.614831 6.017954 4.955036 3.774664 6.477699 5.823434 4.841281 6.242742 7.007942 6.885046 5.811800 7.460264 7.910515 8.487592 5.889935 6.212871 7.475284 2.497255 4.704416 0.000000 5.248337 5.278031 2.738989 4.197322 2.140396 3.256622 7.090871 5.559494 7.597616 5.598910 7.055205 5.762017 7.059435 7.757023 5.289442 7.839189 9.271871 7.485644 6.294512 7.490983 2.875253 2.228677 3.266369 1.077560 4.720234 2.849303 7.498756 4.934122 8.686080 5.673870 4.892445 7.241904 7.754535 7.619065 8.863340 9.617492 9.672500 9.856846 6.484623 7.815989 8.209444 6.311410 8.313006 4.593556 0.000000 2.010716 2.013664 5.653572 4.387741 3.816260 2.504924 7.845752 6.846965 8.716895 7.997217 9.162758 6.569857 7.821275 8.730972 5.642593 8.256469 9.893092 8.094634 6.213445 7.515529 4.500406 3.516452 2.148468 4.303720 1.089977 4.879809 7.467179 6.087359 9.614948 8.367792 7.805520 9.591205 10.020029 9.264471 9.291325 9.630127 10.516813 10.595267 7.415272 7.668452 8.946409 5.826325 8.097679 3.653938 5.379722 0.000000 6.355845 6.413550 5.224989 6.327621 2.077786 3.306672 9.352269 7.879400 10.016922 8.001241 9.503017 8.148729 9.493341 9.877068 7.585895 10.260025 11.398454 9.341910 8.529051 9.810751 5.127384 3.960230 4.196361 2.637923 5.601610 1.089021 9.675933 7.102914 11.105813 7.932427 7.358405 9.738166 10.138251 9.760497 11.306676 11.701091 11.914522 11.884371 8.279778 9.601201 9.940636 8.376109 10.576283 6.452410 2.522801 5.809603 0.000000 6.096294 5.801231 6.002849 6.519760 2.093919 2.742370 10.095027 8.643160 10.763829 9.000213 10.454025 8.680735 10.043145 10.775085 7.880377 10.652839 12.253953 10.212306 8.642546 9.999918 5.564655 4.187799 3.902358 3.200347 5.075160 1.090835 10.252157 7.860122 11.839723 9.084117 8.367441 10.668095 11.198796 10.809252 11.724038 12.418791 12.787347 12.819841 9.197892 10.301307 10.895703 8.285738 10.654134 6.368761 3.565769 5.015101 1.781590 0.000000 5.726957 6.092027 5.960240 6.612072 2.090440 2.705329 9.592035 8.236710 10.469582 8.642903 10.168665 8.556262 9.954765 10.052032 7.973376 10.753630 11.524243 9.289522 8.951504 10.284191 5.585797 4.203033 3.887535 3.226959 5.032821 1.090410 9.753186 7.319974 11.538918 8.549211 8.173271 10.548540 10.799754 10.086905 11.826489 11.699344 12.168184 11.970793 8.247976 9.386644 9.849900 8.770198 11.061934 6.557035 3.608494 4.962926 1.781241 1.780421 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3718,.0576,2.5975;3.0908,1.9536,1.7414;.7965,-.3463,-1.7868;.8186,1.1354,-.0473;4.7366,-1.1871,-.819;4.8152,-.6373,.4053;-3.155,-.7518,.5414;-1.8123,-.6654,-.2518;-3.882,.255,-.4056;-2.27,-1.0593,-1.6926;-3.6923,-.4274,-1.7981;-1.6195,.8343,-.2634;-2.9014,1.4058,-.3549;-3.783,-2.141,.7264;-.4982,1.6513,-.1963;-3.0845,2.7785,-.3794;-5.1613,-2.0283,1.3946;-2.8576,-3.048,1.5509;-.6792,3.0445,-.2034;-1.9524,3.5988,-.2908;1.3776,.1751,-.844;2.7734,-.2257,-.5163;3.6356,-.0519,.6014;3.5368,-.969,-1.4007;3.4248,.6142,1.9152;5.8792,-1.9063,-1.3608;-3.0319,-.304,1.5353;-.9704,-1.2397,.1252;-4.9114,.5158,-.162;-2.3058,-2.1467,-1.7936;-1.5682,-.6813,-2.4321;-3.771,.2992,-2.6085;-4.4621,-1.1861,-1.9604;-3.9247,-2.6119,-.2519;-4.0769,3.2109,-.4453;-5.078,-1.5459,2.3748;-5.8579,-1.4408,.7912;-5.6045,-3.0169,1.5465;-1.8948,-3.2003,1.0571;-2.6629,-2.6097,2.5359;-3.3117,-4.031,1.7072;.1909,3.6897,-.1416;-2.0631,4.6773,-.2894;1.4241,1.6423,.5821;3.2796,-1.3387,-2.3796;4.3153,.5701,2.5423;5.6065,-2.3124,-2.3337;6.7259,-1.2274,-1.4713;6.1522,-2.7197,-.6878; 0.3294286 0.1171557 0.1068950 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= 710 RedAO= T EigKep= 1.14D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 5.23D-07 NBFU= 706 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= 726 726 726 726 726 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53133859178 -1215.53133859152 0.000000000254 -1215.53133859 2 1.210544611291e+03 -7.635297165315e+03 2.810953991350e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323523334 LenY= 11322980902 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 4.5148 274.62 0.1932 0.000 94 96 -0.20805 95 96 0.66199 -1215.36542149 2 Singlet-A 4.6209 268.31 0.0573 0.000 93 96 -0.21076 94 96 0.60266 95 96 0.22498 95 99 -0.16676 3 Singlet-A 4.8116 257.68 0.0102 0.000 92 96 0.17602 93 96 0.62638 94 96 0.19742 95 99 -0.12348 4 Singlet-A 4.9230 251.85 0.0052 0.000 95 97 0.69952 5 Singlet-A 5.1684 239.89 0.0008 0.000 94 97 0.68440 95 99 -0.11502 6 Singlet-A 5.1903 238.88 0.0083 0.000 94 96 0.20724 94 97 0.15834 94 100 -0.37810 95 99 0.48866 7 Singlet-A 5.5332 224.07 0.0071 0.000 94 99 0.28979 95 98 0.47614 95 100 0.39475 8 Singlet-A 5.5755 222.37 0.0019 0.000 94 99 -0.27956 95 98 0.46610 95 100 -0.35584 95 101 -0.22757 9 Singlet-A 5.6558 219.22 0.0035 0.000 92 97 0.10345 93 97 0.68025 10 Singlet-A 5.7294 216.40 0.0043 0.000 95 98 0.21690 95 100 -0.15591 95 101 0.57276 95 102 0.21064 95 103 -0.18119 PT25883.900S 2022-07-22T20:12:58.000 -24.70660 -24.70100 -19.09186 -14.42690 -14.36366 -14.34782 -10.35728 -10.28739 -10.24042 -10.23563 -10.23256 -10.21395 -10.20299 -10.17233 -10.17113 -10.17052 -10.17000 -10.16943 -10.16921 -10.16875 -10.16751 -10.16689 -10.15893 -10.15373 -10.15260 -10.15179 -1.27023 -1.21245 -1.09048 -1.04687 -0.94100 -0.88862 -0.88539 -0.83295 -0.82309 -0.78836 -0.77133 -0.75526 -0.73549 -0.71585 -0.70237 -0.68999 -0.67854 -0.65868 -0.62467 -0.61299 -0.61005 -0.59627 -0.57610 -0.57334 -0.56351 -0.55520 -0.54583 -0.53977 -0.52423 -0.51309 -0.51059 -0.50123 -0.49239 -0.47580 -0.46016 -0.45443 -0.45031 -0.44589 -0.44195 -0.43727 -0.43089 -0.43051 -0.42944 -0.42691 -0.41974 -0.41821 -0.41043 -0.39502 -0.39215 -0.38155 -0.37237 -0.36884 -0.36499 -0.35573 -0.35060 -0.34132 -0.33680 -0.33267 -0.32398 -0.32150 -0.31830 -0.31075 -0.29889 -0.29282 -0.28889 -0.27774 -0.26644 -0.23431 -0.22885 -0.04152 -0.02869 -0.00943 -0.00590 -0.00228 0.00469 0.01055 0.01496 0.01851 0.02495 0.02627 0.02881 0.03374 0.03543 0.03807 0.04235 0.04800 0.04907 0.05381 0.05600 0.05957 0.06305 0.06494 0.06740 0.07240 0.07440 0.08067 0.08161 0.08877 0.08948 0.09539 0.09739 0.09892 0.10079 0.10559 0.10624 0.10871 0.11222 0.11935 0.12142 0.12306 0.12528 0.12904 0.12966 0.13517 0.13852 0.14119 0.14435 0.14742 0.15144 0.15392 0.15642 0.15765 0.16175 0.16505 0.16725 0.16907 0.17090 0.17189 0.17471 0.17722 0.18043 0.18251 0.18500 0.18699 0.18871 0.19199 0.19343 0.19493 0.19616 0.19864 0.20148 0.20446 0.20687 0.21048 0.21205 0.21415 0.21651 0.22013 0.22071 0.22172 0.22632 0.22936 0.23259 0.23451 0.23534 0.23702 0.24014 0.24200 0.24431 0.24458 0.24645 0.25025 0.25233 0.25669 0.26000 0.26245 0.26449 0.26513 0.26885 0.27021 0.27607 0.27786 0.27911 0.28444 0.28830 0.28963 0.29154 0.29225 0.29506 0.29958 0.30626 0.30772 0.31171 0.31357 0.31505 0.31814 0.32075 0.32393 0.32814 0.33128 0.33574 0.33819 0.34116 0.34797 0.35085 0.35174 0.35929 0.36273 0.36364 0.37051 0.37288 0.37784 0.38328 0.39092 0.39155 0.39383 0.39696 0.40166 0.40561 0.41254 0.41739 0.41965 0.42053 0.42509 0.43346 0.44214 0.44608 0.45033 0.45106 0.46052 0.46371 0.47056 0.47242 0.48368 0.48478 0.49370 0.50015 0.50884 0.51402 0.51860 0.52397 0.52543 0.53357 0.53910 0.54871 0.55022 0.55978 0.56503 0.57029 0.57188 0.57628 0.58408 0.58967 0.59162 0.59630 0.60182 0.60455 0.61132 0.61525 0.61796 0.62701 0.63728 0.64214 0.64813 0.64970 0.65900 0.66054 0.66464 0.66632 0.66698 0.67529 0.67782 0.68770 0.69190 0.69455 0.69963 0.70306 0.70419 0.70840 0.70916 0.71394 0.71554 0.72183 0.72301 0.72616 0.72849 0.73282 0.73800 0.74330 0.74685 0.75455 0.75757 0.76185 0.77162 0.77308 0.77701 0.78036 0.78831 0.78976 0.79463 0.80034 0.80523 0.81433 0.82200 0.82516 0.82786 0.83432 0.83972 0.84449 0.85336 0.85776 0.86146 0.86955 0.87371 0.88066 0.88934 0.89339 0.89880 0.90228 0.91086 0.91354 0.93576 0.94062 0.95576 0.95820 0.96443 0.97876 0.98521 0.98926 0.99726 0.99752 1.00337 1.01599 1.01859 1.02581 1.03635 1.05052 1.05390 1.06412 1.07624 1.08073 1.08434 1.09329 1.10024 1.10990 1.11373 1.11919 1.14780 1.15277 1.15748 1.17567 1.18207 1.18548 1.19998 1.21347 1.22278 1.23131 1.24968 1.25906 1.26470 1.27912 1.29009 1.29648 1.30961 1.31778 1.32686 1.34267 1.35076 1.35641 1.36949 1.37307 1.38495 1.40062 1.40656 1.41683 1.43057 1.43239 1.43951 1.44607 1.45215 1.46481 1.46805 1.47839 1.48494 1.49422 1.49863 1.50466 1.50616 1.51015 1.52159 1.52537 1.52774 1.53514 1.53692 1.54008 1.54612 1.55206 1.56304 1.57177 1.57364 1.58360 1.58532 1.58976 1.60115 1.60451 1.61132 1.61293 1.61762 1.62791 1.62910 1.63555 1.64350 1.64964 1.65229 1.65848 1.66802 1.67875 1.68595 1.69024 1.70619 1.70759 1.71536 1.72592 1.73085 1.73523 1.73576 1.74417 1.75803 1.76352 1.76629 1.76970 1.78397 1.78790 1.79477 1.80098 1.80497 1.81771 1.82601 1.83610 1.83773 1.84385 1.85056 1.85874 1.86208 1.87164 1.87821 1.88529 1.89460 1.89731 1.91423 1.91571 1.91720 1.92886 1.94306 1.94474 1.94969 1.95501 1.96695 1.97096 1.98478 1.99573 2.00058 2.00479 2.00538 2.01069 2.02342 2.03625 2.04645 2.04945 2.05373 2.05784 2.06543 2.07291 2.09268 2.10001 2.11223 2.13095 2.13395 2.15201 2.16099 2.16547 2.16577 2.17924 2.18388 2.18808 2.20671 2.21476 2.23011 2.25073 2.26031 2.27289 2.28576 2.29190 2.30021 2.31425 2.33209 2.33727 2.34584 2.35237 2.36506 2.37919 2.38191 2.40350 2.41893 2.43425 2.43715 2.44440 2.45102 2.45331 2.45641 2.46983 2.47601 2.48089 2.49691 2.51156 2.51659 2.51920 2.53616 2.54289 2.55141 2.55935 2.56303 2.57620 2.58220 2.59545 2.60648 2.61207 2.61893 2.62254 2.64232 2.64552 2.64973 2.68549 2.69049 2.70473 2.70798 2.70946 2.72023 2.72623 2.74000 2.74206 2.74650 2.74762 2.75581 2.76647 2.76862 2.77645 2.77723 2.79023 2.79774 2.80301 2.81928 2.82952 2.84218 2.85413 2.86126 2.87548 2.88336 2.90088 2.90616 2.91160 2.92166 2.92711 2.94194 2.94886 2.95437 2.96307 2.97575 2.99739 3.00425 3.00657 3.01339 3.02437 3.04165 3.04408 3.05207 3.06715 3.07071 3.07690 3.08360 3.10356 3.14422 3.15657 3.17031 3.17602 3.18664 3.21758 3.22365 3.24364 3.27932 3.29947 3.29983 3.33478 3.36070 3.38863 3.39807 3.41385 3.41679 3.44125 3.45961 3.48816 3.50822 3.56356 3.58328 3.60976 3.63464 3.67005 3.68068 3.68675 3.69978 3.70397 3.74281 3.76805 3.77546 3.79237 3.79629 3.80446 3.81084 3.82408 3.84416 3.84517 3.84676 3.85582 3.89495 3.93757 3.97707 3.98319 3.99150 3.99523 4.01187 4.04084 4.05388 4.07026 4.07712 4.11139 4.13349 4.13939 4.18157 4.21337 4.25909 4.28865 4.30761 4.33559 4.36687 4.37647 4.39244 4.44222 4.59401 4.76470 4.87324 4.87709 4.90993 4.97797 5.12093 5.14916 5.33846 5.43054 5.84484 6.35326 6.38986 6.41272 6.46308 6.56839 6.66980 23.62386 23.66111 23.75206 23.84880 23.86634 23.89618 23.89859 23.90591 23.94633 23.95914 23.96976 23.98416 23.99599 23.99941 24.02639 24.10181 24.11033 24.11423 24.14797 24.21533 35.49183 35.56627 35.66735 50.06418 66.75913 66.82758 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.078497 -0.108922 -0.273829 0.100756 0.045023 -0.077195 -0.337183 0.184424 0.616322 -0.419682 -0.530093 -0.150672 -0.330445 0.154331 -0.057169 0.048545 -0.553011 -0.546184 -0.037189 -0.173819 -0.711109 1.197428 -1.088442 0.021365 -0.053694 -0.262722 0.133536 0.130861 0.117977 0.134889 0.177742 0.140928 0.141060 0.128276 0.108893 0.139627 0.133093 0.136606 0.137275 0.141415 0.136570 0.111998 0.123231 0.278567 0.147472 0.198647 0.153478 0.184276 0.185247 -0.00000 3.5699 -1.6900 -1.0073 4.0761 -124.6612 -148.2248 -158.2051 -10.0496 -10.1611 4.1068 19.0358 -4.5278 -14.5081 -10.0496 -10.1611 4.1068 192.0465 10.3690 23.0284 33.7022 -57.6439 -58.8718 52.9787 -10.5120 -6.0538 25.5530 -9269.4357 -2737.7330 -1536.4447 -381.2727 -248.3921 -69.0050 42.3994 40.4686 69.0005 -2005.5992 -1816.9805 -761.3875 151.8161 -24.8558 -18.9076 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2022-07-22T00:00:00.000 0 Electronic spectrum isopyrazam_anti CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.5313386 RMSD=3.674e-10 PG=C01 [X(C20H23F2N3O1)] 0 -2.1590035924 0.1702010997 -2.7007529168 0 -2.989519583 1.8865764701 -1.6011749943 0 -0.6538198742 -0.7896820027 1.6212258985 0 -0.7154538442 0.9255250234 0.1125035514 0 -4.5264450784 -1.6652355819 0.4362147659 0 -4.6079691558 -0.9483075841 -0.698128702 0 3.3590156681 -0.6684322799 -0.6330191675 0 1.9980190781 -0.7607190066 0.1277060982 0 4.0152781059 0.2236075049 0.4681393886 0 2.4458993724 -1.3371341293 1.508888131 0 3.8322541258 -0.6612415755 1.7425752756 0 1.7298470978 0.7108041143 0.3492203134 0 2.9793011372 1.322454482 0.5565923678 0 4.0596771424 -1.9852617219 -0.9984458634 0 0.5705014732 1.4754708438 0.369768616 0 3.0926380232 2.6841796751 0.7828162969 0 5.4436358736 -1.7126121791 -1.6058739977 0 3.1977381155 -2.8057252173 -1.9693704244 0 0.6811034054 2.8599590799 0.5816562406 0 1.9227435344 3.4547404368 0.7823074978 0 -1.241308984 -0.1651868149 0.7476705996 0 -2.608415039 -0.579215345 0.3280056783 0 -3.4555537394 -0.286037593 -0.7761154631 0 -3.3510627224 -1.4776597614 1.0754839219 0 -3.2522393566 0.5723066361 -1.9744806434 0 -5.6421647141 -2.5079744266 0.8378912017 0 3.2335384932 -0.0877874751 -1.5552749885 0 1.1937533527 -1.3132225217 -0.3505352669 0 5.0349582462 0.5648483662 0.2925260588 0 2.534293344 -2.4247760417 1.4536612773 0 1.7112778587 -1.1033745589 2.2756746891 0 3.8579574182 -0.0566270583 2.6507001167 0 4.6357940798 -1.3985233576 1.8150327525 0 4.2051830503 -2.585679433 -0.0943956603 0 4.0605779036 3.1485732506 0.9370295627 0 5.3559744461 -1.0978468263 -2.5084988492 0 6.0975971172 -1.1866430427 -0.9056533974 0 5.9389720295 -2.6469626857 -1.8860870571 0 2.2340782006 -3.07283745 -1.5288954966 0 3.0010575145 -2.2390895239 -2.8861530983 0 3.7037571363 -3.7334071598 -2.2527811091 0 -0.2189001964 3.4658120654 0.5895191174 0 1.9791810896 4.526120712 0.9387401105 0 -1.3328704225 1.4892062601 -0.4537372128 0 -3.0952969056 -1.9726560266 1.9978167877 0 -4.1265451931 0.5777178455 -2.6253344911 0 -5.3689109314 -3.0373397342 1.7495218495 0 -6.5239330475 -1.8926600166 1.0217191996 0 -5.8602872478 -3.2273074073 0.0479689527 Gaussian 16 22-Jul-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 141 C1[X(C20H23F2N3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.159,.1702,-2.7008;-2.9895,1.8866,-1.6012;-.6538,-.7897,1.6212;-.7155,.9255,.1125;-4.5264,-1.6652,.4362;-4.608,-.9483,-.6981;3.359,-.6684,-.633;1.998,-.7607,.1277;4.0153,.2236,.4681;2.4459,-1.3371,1.5089;3.8323,-.6612,1.7426;1.7298,.7108,.3492;2.9793,1.3225,.5566;4.0597,-1.9853,-.9984;.5705,1.4755,.3698;3.0926,2.6842,.7828;5.4436,-1.7126,-1.6059;3.1977,-2.8057,-1.9694;.6811,2.86,.5817;1.9227,3.4547,.7823;-1.2413,-.1652,.7477;-2.6084,-.5792,.328;-3.4556,-.286,-.7761;-3.3511,-1.4777,1.0755;-3.2522,.5723,-1.9745;-5.6422,-2.508,.8379;3.2335,-.0878,-1.5553;1.1938,-1.3132,-.3505;5.035,.5648,.2925;2.5343,-2.4248,1.4537;1.7113,-1.1034,2.2757;3.858,-.0566,2.6507;4.6358,-1.3985,1.815;4.2052,-2.5857,-.0944;4.0606,3.1486,.937;5.356,-1.0978,-2.5085;6.0976,-1.1866,-.9057;5.939,-2.647,-1.8861;2.2341,-3.0728,-1.5289;3.0011,-2.2391,-2.8862;3.7038,-3.7334,-2.2528;-.2189,3.4658,.5895;1.9792,4.5261,.9387;-1.3329,1.4892,-.4537;-3.0953,-1.9727,1.9978;-4.1265,.5777,-2.6253;-5.3689,-3.0373,1.7495;-6.5239,-1.8927,1.0217;-5.8603,-3.2273,.048; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/isopyrazam_anti/gas #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point isopyrazam_anti CONF24 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1377 A 1221 A 1221 1761 1377 95 95 2398.3213311667 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 -0.0541070836 0.000000 2.201084 0.000000 4.676158 4.796011 0.000000 3.250963 3.005277 2.285165 0.000000 4.337531 4.373610 4.143437 4.619576 0.000000 3.355443 3.386951 4.586923 4.395458 1.344384 0.000000 5.952089 6.911533 4.604256 4.438221 8.019811 7.972165 0.000000 5.113475 5.905315 3.043631 3.194775 6.594085 6.660051 1.561900 0.000000 6.940208 7.490976 4.914961 4.795726 8.748130 8.780317 1.561719 2.270270 0.000000 6.418588 7.043336 3.149696 4.130820 7.062002 7.401295 2.422542 1.562215 2.445817 0.000000 7.505307 8.013029 4.489553 5.084940 8.519533 8.790723 2.422283 2.445837 1.562256 1.559942 0.000000 4.971695 5.240124 3.090522 2.466097 6.692856 6.634569 2.349740 1.512073 2.339807 2.460002 2.871248 0.000000 6.191943 6.371893 4.335220 3.742457 8.079419 8.018563 2.350104 2.342321 1.512791 2.874856 2.463561 1.406504 0.000000 6.798225 8.065084 5.523508 5.701646 8.711037 8.734618 1.535742 2.649180 2.651782 3.051405 3.052531 3.809604 3.811344 0.000000 4.310688 4.089912 2.862870 1.422078 5.987263 5.816499 3.657556 2.664009 3.666514 3.567276 4.133905 1.388964 2.420874 5.101277 0.000000 6.784916 6.581203 5.177508 4.247793 8.779976 8.642194 3.649048 3.673512 2.646640 4.137199 3.558091 2.437092 1.385034 5.090358 2.827147 0.000000 7.908468 9.169094 6.960240 6.917151 10.177175 10.121409 2.526341 3.972867 3.176584 4.339257 3.861871 4.846397 4.467755 1.535789 6.149348 5.528545 0.000000 6.171364 7.774022 5.638378 5.793919 8.170102 8.123738 2.525840 3.165297 3.973246 3.849715 4.333585 4.460554 4.844592 1.535836 5.540991 6.142038 2.524100 0.000000 5.106390 4.380148 4.022761 2.431566 6.900515 6.641915 4.593060 3.879388 4.252053 4.646488 4.865834 2.402656 2.765187 6.114544 1.404969 2.426286 6.955243 6.703817 0.000000 6.291309 5.680709 5.035632 3.715596 8.241721 8.014283 4.589834 4.266646 3.862334 4.874800 4.637850 2.784593 2.390378 6.109926 2.432335 1.400863 6.693402 6.956348 1.391293 0.000000 3.584170 3.575339 1.224025 1.367338 3.624813 3.746734 4.829342 3.351457 5.278353 3.943148 5.193934 3.123122 4.479189 5.870439 2.473302 5.186832 7.254115 5.836086 3.588138 4.807941 0.000000 3.152297 3.153904 2.353116 2.427753 2.206805 2.277586 6.044978 4.614358 6.673640 5.245476 6.594691 4.526049 5.906875 6.942614 3.785365 6.584725 8.358230 6.629231 4.765836 6.083633 1.488797 0.000000 2.365042 2.370266 3.721642 3.125008 2.125733 1.331445 6.826790 5.548304 7.590865 6.415076 7.719891 5.398931 6.765406 7.708144 4.541485 7.357396 9.050922 7.213805 5.371478 6.734106 2.690615 1.422210 0.000000 4.289104 4.314314 2.836594 3.694464 1.351064 2.237349 6.971297 5.479504 7.584600 5.814839 7.260275 5.579649 6.941426 7.712192 4.959605 7.676447 9.197370 7.343139 5.942825 7.226864 2.506214 1.384721 2.204382 0.000000 1.372707 1.391289 4.640679 3.303868 3.527272 2.404027 6.859129 5.810453 7.674946 6.946122 8.094949 5.499087 6.767655 7.807555 4.574337 7.233268 8.998609 7.281026 5.219040 6.533663 3.463791 2.653668 1.488009 3.676195 0.000000 5.641546 5.683102 5.333828 6.048767 1.454779 2.421049 9.304232 7.869541 10.043130 8.199871 9.695024 8.058901 9.438273 9.887927 7.394876 10.161608 11.379788 9.279723 8.298439 9.632492 4.986414 3.630941 3.510454 2.523321 4.807214 0.000000 5.518894 6.528910 5.068961 4.404864 8.165275 7.935013 1.097018 2.193575 2.191413 3.401520 3.400460 2.554592 2.552137 2.143122 3.638865 3.629094 2.743564 2.749535 4.446415 4.442069 5.033270 6.157651 6.737236 7.225622 6.532746 9.505927 0.000000 4.354888 5.413186 2.752356 2.978501 5.784770 5.823570 2.276821 1.086655 3.315581 2.241851 3.430434 2.207654 3.310265 3.014124 2.946878 4.568312 4.449369 2.977272 4.306650 4.954617 2.907502 3.931370 4.780406 4.766122 5.095024 7.040566 2.667173 0.000000 7.801830 8.350168 5.996865 5.764524 9.819081 9.811070 2.277367 3.317724 1.089510 3.435156 2.247763 3.308818 2.206677 3.020073 4.557036 2.916257 2.992953 4.455594 4.930231 4.275189 6.334954 7.728602 8.599697 8.666615 8.591683 11.123876 2.661844 4.323833 0.000000 6.783812 7.644102 3.586876 4.856344 7.173990 7.604083 2.849411 2.194273 3.190377 1.092625 2.208671 3.420349 3.878724 2.921095 4.499247 5.182973 4.281613 3.507482 5.667727 5.949237 4.456382 5.578588 6.739761 5.973061 7.363330 8.200034 3.873520 2.507533 4.066868 0.000000 6.431633 6.787287 2.473943 3.832071 6.527518 6.985731 3.371159 2.193947 3.215040 1.087324 2.231192 2.646283 3.232302 4.124630 3.403571 4.299110 5.419233 4.809155 4.431588 4.801174 3.454383 4.767379 6.056204 5.216113 6.745979 7.623204 4.245571 2.684930 4.214582 1.760444 0.000000 8.055639 8.291105 4.685437 5.321950 8.819851 9.147768 3.377286 3.212571 2.206094 2.222013 1.091288 3.227168 2.656914 4.132383 4.284547 3.403928 4.834779 5.416501 4.783285 4.423307 5.443880 6.890717 8.079798 7.514693 8.505454 9.977359 4.252187 4.205286 2.707868 2.965319 2.417552 0.000000 8.307978 8.978183 5.328064 6.077472 9.269245 9.589882 2.855898 3.195579 2.197833 2.212042 1.092937 3.878453 3.425108 2.931183 5.184133 4.485005 3.529003 4.286016 5.940999 5.655204 6.099239 7.440503 8.568640 8.021414 8.970265 10.383743 3.878572 4.067506 2.516384 2.366451 2.975248 1.761833 0.000000 7.408836 8.604371 5.457002 6.048473 8.796027 8.984271 2.163782 2.872522 2.871342 2.687836 2.686447 4.146189 4.147298 1.094980 5.469854 5.456984 2.140229 2.139835 6.521592 6.516503 6.019314 7.115437 8.027452 7.726136 8.313889 9.891686 3.052495 3.279247 3.280863 2.283472 3.746201 3.748629 2.289254 0.000000 7.796625 7.598618 6.180900 5.332191 9.857004 9.726350 4.186499 4.493520 2.962657 4.801643 3.900734 3.423528 2.156062 5.486559 3.911737 1.084597 5.657767 6.681716 3.410343 2.165182 6.255147 7.664384 8.439411 8.738056 8.281989 11.231633 4.167686 5.457484 2.835566 5.801610 5.038873 3.640197 4.666674 5.828070 0.000000 7.623634 8.909393 7.298440 6.915629 10.327414 10.128177 2.773025 4.282417 3.521943 4.966406 4.536957 4.958485 4.571785 2.179025 6.148751 5.500834 1.095606 2.804548 6.860591 6.583505 7.415972 8.470315 9.016830 9.423465 8.784983 11.582135 2.536452 4.693323 3.273125 5.041958 6.014330 5.472251 4.393403 3.060369 5.619769 0.000000 8.557737 9.617906 7.219718 7.205245 10.719139 10.710230 2.800482 4.249210 2.865688 4.380360 3.524335 4.924658 4.261162 2.190781 6.265967 5.183047 1.092986 3.487421 6.922823 6.466920 7.591864 8.813940 9.596383 9.658508 9.573700 11.941854 3.135654 4.936787 2.373301 4.449323 5.419186 4.352077 3.095787 2.489312 5.132156 1.768333 0.000000 8.612625 10.017590 7.695170 7.812709 10.764842 10.748704 3.484385 4.810861 4.181286 5.044112 4.642040 5.829917 5.521106 2.181170 7.134691 6.606492 1.094024 2.747090 8.003820 7.776966 8.040667 9.068385 9.750032 9.820536 9.739090 11.897987 3.738741 5.162740 3.984887 4.774424 6.129953 5.623424 4.117665 2.493980 6.714655 1.768345 1.766054 0.000000 5.584775 7.203262 4.845206 5.232670 7.179671 7.212310 2.801650 2.854110 4.245865 3.505091 4.367205 4.254117 4.921708 2.190208 5.201877 6.262937 3.486746 1.092707 6.485695 6.931656 5.071045 5.754648 6.380035 6.365625 6.601917 8.243540 3.148038 2.359460 4.939156 3.066881 4.315884 5.404029 4.444482 2.486034 6.937063 3.821838 4.344300 3.746357 0.000000 5.697832 7.386427 5.981252 5.728803 8.248074 8.021899 2.769785 3.503571 4.283083 4.520853 4.960405 4.559111 4.953541 2.179115 5.505142 6.140709 2.807576 1.095559 6.588489 6.858576 5.958475 6.674742 7.067850 7.524877 6.916561 9.415206 2.540351 3.248528 4.701364 4.368791 5.440390 6.012833 5.047778 3.060058 6.690756 2.643992 3.823425 3.130149 1.767920 0.000000 7.057677 8.764061 6.531610 6.843219 8.901925 8.902725 3.483755 4.172905 4.812319 4.634057 5.041586 5.515229 5.829164 2.180837 6.620232 7.125569 2.743953 1.094062 7.787358 8.003327 6.796218 7.513515 8.082118 8.120113 8.185506 9.919687 3.741412 3.971895 5.169689 4.100960 5.603031 6.130793 4.781996 2.495463 7.593673 3.121120 3.745828 2.512173 1.766442 1.768596 0.000000 5.044893 3.869038 4.400319 2.631951 6.701201 6.356604 5.602505 4.794952 5.334312 5.569083 5.896945 3.383109 3.850137 7.109294 2.152418 3.408020 7.981237 7.586403 1.084954 2.150332 3.775511 4.705360 5.139772 5.872352 4.914022 8.072150 5.398847 5.071337 6.008895 6.559409 5.238910 5.768606 6.980809 7.527337 4.305268 7.842444 7.986177 9.022972 7.297857 7.415816 8.677250 0.000000 7.024565 6.173034 5.971285 4.572528 8.994921 8.720049 5.599799 5.348720 4.783176 5.909370 5.566755 3.868636 3.377833 7.104875 3.408016 2.157973 7.576232 7.981100 2.142104 1.084210 5.693543 6.890827 7.458816 8.029669 7.175462 10.371768 5.392743 6.031340 5.044506 6.992014 5.792269 5.240437 6.551861 7.523307 2.495967 7.410479 7.280028 8.666759 7.993645 7.838502 9.021074 2.465314 0.000000 2.733377 2.054021 3.155933 1.009737 4.576181 4.089923 5.167334 4.061412 5.572638 5.110695 6.010551 3.260504 4.432087 6.438028 2.073927 4.747858 7.582882 6.424173 2.647092 3.998769 2.046651 2.552744 2.785894 3.900501 2.614831 6.017954 4.955036 3.774664 6.477699 5.823434 4.841281 6.242742 7.007942 6.885046 5.811800 7.460264 7.910515 8.487592 5.889935 6.212871 7.475284 2.497255 4.704416 0.000000 5.248337 5.278031 2.738989 4.197322 2.140396 3.256622 7.090871 5.559494 7.597616 5.598910 7.055205 5.762017 7.059435 7.757023 5.289442 7.839189 9.271871 7.485644 6.294512 7.490983 2.875253 2.228677 3.266369 1.077560 4.720234 2.849303 7.498756 4.934122 8.686080 5.673870 4.892445 7.241904 7.754535 7.619065 8.863340 9.617492 9.672500 9.856846 6.484623 7.815989 8.209444 6.311410 8.313006 4.593556 0.000000 2.010716 2.013664 5.653572 4.387741 3.816260 2.504924 7.845752 6.846965 8.716895 7.997217 9.162758 6.569857 7.821275 8.730972 5.642593 8.256469 9.893092 8.094634 6.213445 7.515529 4.500406 3.516452 2.148468 4.303720 1.089977 4.879809 7.467179 6.087359 9.614948 8.367792 7.805520 9.591205 10.020029 9.264471 9.291325 9.630127 10.516813 10.595267 7.415272 7.668452 8.946409 5.826325 8.097679 3.653938 5.379722 0.000000 6.355845 6.413550 5.224989 6.327621 2.077786 3.306672 9.352269 7.879400 10.016922 8.001241 9.503017 8.148729 9.493341 9.877068 7.585895 10.260025 11.398454 9.341910 8.529051 9.810751 5.127384 3.960230 4.196361 2.637923 5.601610 1.089021 9.675933 7.102914 11.105813 7.932427 7.358405 9.738166 10.138251 9.760497 11.306676 11.701091 11.914522 11.884371 8.279778 9.601201 9.940636 8.376109 10.576283 6.452410 2.522801 5.809603 0.000000 6.096294 5.801231 6.002849 6.519760 2.093919 2.742370 10.095027 8.643160 10.763829 9.000213 10.454025 8.680735 10.043145 10.775085 7.880377 10.652839 12.253953 10.212306 8.642546 9.999918 5.564655 4.187799 3.902358 3.200347 5.075160 1.090835 10.252157 7.860122 11.839723 9.084117 8.367441 10.668095 11.198796 10.809252 11.724038 12.418791 12.787347 12.819841 9.197892 10.301307 10.895703 8.285738 10.654134 6.368761 3.565769 5.015101 1.781590 0.000000 5.726957 6.092027 5.960240 6.612072 2.090440 2.705329 9.592035 8.236710 10.469582 8.642903 10.168665 8.556262 9.954765 10.052032 7.973376 10.753630 11.524243 9.289522 8.951504 10.284191 5.585797 4.203033 3.887535 3.226959 5.032821 1.090410 9.753186 7.319974 11.538918 8.549211 8.173271 10.548540 10.799754 10.086905 11.826489 11.699344 12.168184 11.970793 8.247976 9.386644 9.849900 8.770198 11.061934 6.557035 3.608494 4.962926 1.781241 1.780421 0.000000 C20H23F2N3O 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 0 336.23030639999973 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;1;2;4;5;6;3;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.3718,.0576,2.5975;3.0908,1.9536,1.7414;.7965,-.3463,-1.7868;.8186,1.1354,-.0473;4.7366,-1.1871,-.819;4.8152,-.6373,.4053;-3.155,-.7518,.5414;-1.8123,-.6654,-.2518;-3.882,.255,-.4056;-2.27,-1.0593,-1.6926;-3.6923,-.4274,-1.7981;-1.6195,.8343,-.2634;-2.9014,1.4058,-.3549;-3.783,-2.141,.7264;-.4982,1.6513,-.1963;-3.0845,2.7785,-.3794;-5.1613,-2.0283,1.3946;-2.8576,-3.048,1.5509;-.6792,3.0445,-.2034;-1.9524,3.5988,-.2908;1.3776,.1751,-.844;2.7734,-.2257,-.5163;3.6356,-.0519,.6014;3.5368,-.969,-1.4007;3.4248,.6142,1.9152;5.8792,-1.9063,-1.3608;-3.0319,-.304,1.5353;-.9704,-1.2397,.1252;-4.9114,.5158,-.162;-2.3058,-2.1467,-1.7936;-1.5682,-.6813,-2.4321;-3.771,.2992,-2.6085;-4.4621,-1.1861,-1.9604;-3.9247,-2.6119,-.2519;-4.0769,3.2109,-.4453;-5.078,-1.5459,2.3748;-5.8579,-1.4408,.7912;-5.6045,-3.0169,1.5465;-1.8948,-3.2003,1.0571;-2.6629,-2.6097,2.5359;-3.3117,-4.031,1.7072;.1909,3.6897,-.1416;-2.0631,4.6773,-.2894;1.4241,1.6423,.5821;3.2796,-1.3387,-2.3796;4.3153,.5701,2.5423;5.6065,-2.3124,-2.3337;6.7259,-1.2274,-1.4713;6.1522,-2.7197,-.6878; 0.3294286 0.1171557 0.1068950 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= 1221 RedAO= T EigKep= 1.31D-06 NBF= 1221 NBsUse= 1214 1.00D-06 EigRej= 9.44D-07 NBFU= 1214 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= 1348 1348 1348 1348 1348 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 1 1 -1215.53736165178 -1215.60988555107 -0.072523899289 -1215.60986335998 0.000022191090 -1215.61025338517 -0.000390025190 -1215.61030256645 -0.000049181278 -1215.61030939808 -0.000006831630 -1215.61031042089 -0.000001022811 -1215.61031047460 -0.000000053707 -1215.61031049047 -0.000000015871 -1215.61031049068 -0.000000000212 -1215.61031049088 -0.000000000198 -1215.61031049 11 1.210184094227e+03 -7.635365950942e+03 2.811304322142e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11320804882 LenY= 11318907376 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. PT21895.500S 2022-07-22T20:58:38.000 -24.70572 -24.70033 -19.09052 -14.42486 -14.36164 -14.34618 -10.35362 -10.28416 -10.23767 -10.23282 -10.22971 -10.21236 -10.20053 -10.17121 -10.16975 -10.16921 -10.16893 -10.16842 -10.16819 -10.16798 -10.16621 -10.16616 -10.15825 -10.15271 -10.15164 -10.15123 -1.26615 -1.20942 -1.08590 -1.04298 -0.93857 -0.88683 -0.88212 -0.83113 -0.82000 -0.78764 -0.76852 -0.75344 -0.73442 -0.71371 -0.70091 -0.68920 -0.67815 -0.65620 -0.62267 -0.61058 -0.60820 -0.59473 -0.57379 -0.57183 -0.56161 -0.55290 -0.54494 -0.53925 -0.52228 -0.51105 -0.50906 -0.49990 -0.49066 -0.47432 -0.45951 -0.45274 -0.44902 -0.44526 -0.44045 -0.43621 -0.42960 -0.42935 -0.42846 -0.42620 -0.41912 -0.41685 -0.40935 -0.39451 -0.39131 -0.38149 -0.37044 -0.36830 -0.36449 -0.35542 -0.35024 -0.34086 -0.33547 -0.33245 -0.32358 -0.32105 -0.31796 -0.31042 -0.29862 -0.29151 -0.28826 -0.27657 -0.26551 -0.23426 -0.22871 -0.04086 -0.02750 -0.00993 -0.00639 -0.00267 0.00348 0.00962 0.01377 0.01768 0.02355 0.02520 0.02795 0.03252 0.03404 0.03706 0.04138 0.04653 0.04790 0.05288 0.05472 0.05826 0.06198 0.06407 0.06612 0.07102 0.07317 0.07933 0.07991 0.08702 0.08793 0.09415 0.09575 0.09745 0.09823 0.10391 0.10514 0.10729 0.11087 0.11728 0.11920 0.12145 0.12294 0.12702 0.12840 0.13331 0.13680 0.13917 0.14276 0.14425 0.14913 0.15123 0.15345 0.15429 0.15793 0.16205 0.16453 0.16569 0.16667 0.16698 0.17258 0.17387 0.17538 0.17848 0.18122 0.18312 0.18432 0.18773 0.18948 0.19105 0.19258 0.19382 0.19585 0.19890 0.20200 0.20374 0.20761 0.20884 0.21237 0.21401 0.21661 0.21729 0.22069 0.22521 0.22690 0.22780 0.22990 0.23108 0.23370 0.23579 0.23697 0.24112 0.24184 0.24589 0.24877 0.24953 0.25349 0.25508 0.25597 0.25675 0.25940 0.26425 0.26821 0.27230 0.27280 0.27463 0.27483 0.27948 0.28449 0.28523 0.28797 0.29068 0.29638 0.29713 0.30002 0.30165 0.30493 0.30617 0.30873 0.31276 0.31497 0.31996 0.32533 0.32621 0.32871 0.32969 0.33642 0.33803 0.33943 0.34243 0.34736 0.34822 0.35236 0.35523 0.36010 0.36182 0.36544 0.36928 0.37125 0.37603 0.38077 0.38397 0.38577 0.38732 0.39097 0.39377 0.39699 0.39833 0.40365 0.40686 0.40892 0.41202 0.41931 0.42029 0.42778 0.43067 0.43263 0.43330 0.43861 0.43920 0.44300 0.44966 0.45581 0.45900 0.46120 0.46232 0.46422 0.47086 0.47268 0.48180 0.48364 0.48698 0.49297 0.49379 0.49790 0.50171 0.50217 0.50774 0.51033 0.51207 0.51616 0.52150 0.52368 0.52980 0.53218 0.53507 0.53615 0.54617 0.54805 0.55072 0.55376 0.55528 0.55991 0.56350 0.56678 0.57041 0.57437 0.57855 0.58046 0.58543 0.58843 0.58869 0.59110 0.59850 0.59903 0.60345 0.60450 0.61137 0.61205 0.61461 0.61807 0.62492 0.62551 0.63060 0.63225 0.63457 0.63813 0.64018 0.64212 0.64311 0.64776 0.65387 0.65497 0.65876 0.66211 0.66442 0.66679 0.66843 0.67066 0.67485 0.67792 0.68210 0.68798 0.68942 0.69092 0.69392 0.69449 0.70046 0.70425 0.70509 0.70550 0.70791 0.71267 0.71756 0.72215 0.72876 0.73126 0.73664 0.74143 0.74412 0.74536 0.74962 0.75452 0.75625 0.76322 0.76738 0.76911 0.77094 0.77257 0.77599 0.78525 0.78573 0.79301 0.79439 0.79825 0.80890 0.81230 0.81680 0.82128 0.82313 0.82391 0.83079 0.83613 0.84446 0.84677 0.85107 0.85547 0.85799 0.86503 0.87366 0.88192 0.88310 0.88510 0.89109 0.90006 0.90560 0.90828 0.91139 0.91416 0.91761 0.92078 0.92990 0.93890 0.93916 0.94363 0.95424 0.95867 0.96054 0.97057 0.97533 0.97699 0.98218 0.99042 0.99339 1.00197 1.00726 1.00926 1.01641 1.01643 1.02829 1.03090 1.03552 1.03748 1.04650 1.05001 1.05253 1.06205 1.06298 1.07150 1.07687 1.08072 1.08300 1.08882 1.09056 1.09502 1.09725 1.10589 1.10823 1.11325 1.11899 1.12291 1.12581 1.12979 1.13204 1.13963 1.14440 1.14547 1.15700 1.16199 1.16569 1.17435 1.17769 1.18101 1.18244 1.18772 1.19383 1.19558 1.20091 1.20317 1.20711 1.21017 1.21425 1.21817 1.22129 1.22426 1.22666 1.23168 1.23806 1.23867 1.24682 1.24856 1.25258 1.25995 1.26014 1.26415 1.27006 1.27186 1.27821 1.28144 1.28583 1.28988 1.29424 1.30138 1.30797 1.31148 1.31172 1.31552 1.32025 1.32180 1.32388 1.32842 1.33546 1.33993 1.34079 1.34681 1.34894 1.35565 1.35882 1.36283 1.36522 1.37194 1.37345 1.38032 1.39037 1.39445 1.39694 1.39890 1.40310 1.40848 1.41304 1.41846 1.42149 1.42339 1.42810 1.43071 1.43384 1.43738 1.43967 1.44132 1.44975 1.45211 1.45453 1.46209 1.46837 1.47198 1.47442 1.47737 1.48312 1.48565 1.48732 1.49201 1.49867 1.50417 1.50567 1.50733 1.51677 1.52240 1.52548 1.52971 1.53286 1.53513 1.53583 1.54973 1.55328 1.55665 1.55894 1.56088 1.56648 1.57397 1.57591 1.57799 1.58423 1.59116 1.59426 1.60093 1.60396 1.61657 1.62781 1.63369 1.63664 1.64048 1.64817 1.64922 1.66211 1.66450 1.66758 1.67018 1.68542 1.69025 1.69661 1.70136 1.70391 1.71147 1.71747 1.72618 1.73301 1.73721 1.74355 1.75497 1.76011 1.76484 1.76663 1.77502 1.77715 1.78945 1.79277 1.79792 1.80406 1.80937 1.81937 1.82729 1.83120 1.83361 1.84665 1.85692 1.86572 1.87273 1.87700 1.88616 1.88902 1.89621 1.89927 1.91711 1.92580 1.92665 1.93493 1.94010 1.94713 1.95230 1.96389 1.96914 1.97227 1.98126 1.98575 1.99879 2.00650 2.00879 2.01289 2.02103 2.02647 2.03222 2.03893 2.05155 2.05473 2.06174 2.07104 2.07502 2.07997 2.09320 2.09564 2.10192 2.10753 2.11564 2.11737 2.12361 2.13252 2.14088 2.14481 2.15476 2.15767 2.17087 2.17392 2.18029 2.19205 2.20093 2.20614 2.21651 2.22465 2.23538 2.24551 2.25033 2.26004 2.26329 2.27675 2.28113 2.29037 2.30173 2.31654 2.32196 2.32775 2.32891 2.33669 2.34970 2.35333 2.36139 2.38156 2.39326 2.39620 2.41915 2.42981 2.43400 2.44457 2.45022 2.45899 2.47142 2.48323 2.49843 2.50699 2.52202 2.52917 2.53344 2.53873 2.54317 2.55322 2.56038 2.56650 2.57345 2.57835 2.58798 2.61748 2.62638 2.64248 2.66425 2.66783 2.68366 2.68992 2.70346 2.71354 2.72690 2.72855 2.74645 2.74885 2.75447 2.77130 2.77180 2.78778 2.79485 2.80455 2.81182 2.81819 2.82660 2.83878 2.84532 2.85247 2.85948 2.86274 2.86596 2.87131 2.88214 2.88504 2.89399 2.89845 2.90562 2.91351 2.92028 2.92293 2.92913 2.93655 2.94506 2.95050 2.95424 2.96002 2.96345 2.97727 2.98025 2.98827 2.99540 3.00210 3.00620 3.00988 3.01230 3.01740 3.02728 3.03215 3.03755 3.04724 3.05690 3.05978 3.06994 3.07536 3.08213 3.08860 3.09658 3.10633 3.12373 3.13192 3.13757 3.14654 3.14794 3.15239 3.16591 3.17231 3.17693 3.18023 3.18701 3.19433 3.19652 3.19846 3.20164 3.20462 3.20972 3.22441 3.23094 3.24200 3.25310 3.25637 3.26319 3.27013 3.27430 3.27765 3.28412 3.29227 3.30073 3.30487 3.31390 3.31485 3.32066 3.32433 3.33187 3.34707 3.35506 3.36096 3.36592 3.37479 3.38003 3.38278 3.38815 3.39660 3.40833 3.41230 3.41881 3.42335 3.42697 3.43536 3.44150 3.44806 3.45539 3.46431 3.46814 3.47338 3.47871 3.49367 3.50057 3.50565 3.50968 3.51519 3.52183 3.52381 3.54413 3.55462 3.55803 3.57099 3.57374 3.57434 3.58083 3.59101 3.59177 3.59571 3.60510 3.61863 3.62609 3.63411 3.64801 3.65867 3.66086 3.66736 3.67905 3.68706 3.70180 3.70723 3.71973 3.73448 3.74081 3.74576 3.74976 3.75938 3.76383 3.76476 3.78608 3.80133 3.81017 3.81362 3.82318 3.82548 3.83140 3.83538 3.84055 3.85415 3.86524 3.87877 3.88534 3.89990 3.91001 3.92185 3.92959 3.94096 3.94736 3.95496 3.96068 3.96741 3.97829 3.99878 4.01180 4.02014 4.02455 4.03485 4.04499 4.05594 4.06183 4.07316 4.07816 4.10228 4.10732 4.11405 4.12342 4.13928 4.14670 4.15177 4.15625 4.16154 4.17853 4.18632 4.19253 4.20910 4.21489 4.21835 4.22473 4.23105 4.23811 4.24546 4.25764 4.27079 4.27428 4.27894 4.29429 4.29890 4.31035 4.31394 4.31972 4.32131 4.32582 4.34262 4.34369 4.35690 4.36562 4.37146 4.37578 4.37853 4.38752 4.39416 4.39976 4.40327 4.40932 4.42175 4.42553 4.43642 4.44440 4.45029 4.45993 4.46157 4.46555 4.47774 4.48539 4.49345 4.50378 4.51386 4.51468 4.52091 4.52563 4.53058 4.53987 4.54218 4.55342 4.56067 4.57190 4.59899 4.60231 4.61111 4.61759 4.62578 4.64065 4.64674 4.65550 4.67445 4.68807 4.69516 4.69977 4.70375 4.71127 4.71921 4.72830 4.74419 4.74504 4.74789 4.75902 4.76967 4.77603 4.79571 4.80429 4.81253 4.81790 4.82349 4.83166 4.84020 4.84561 4.85573 4.87139 4.87953 4.88799 4.89384 4.90816 4.91145 4.92321 4.92539 4.92858 4.94159 4.96243 4.97058 4.99089 4.99710 5.00432 5.03055 5.05074 5.06156 5.07311 5.08357 5.11037 5.11845 5.12020 5.12983 5.14873 5.19282 5.21392 5.23632 5.24629 5.26694 5.29437 5.30288 5.33654 5.35208 5.36785 5.41895 5.44951 5.48344 5.50086 5.50414 5.54707 5.59172 5.60641 5.64504 5.67350 5.70184 5.71916 5.72632 5.74151 5.74250 5.76298 5.79422 5.80615 5.81141 5.81744 5.83111 5.83972 5.85729 5.85893 5.87846 5.89372 5.91332 5.95146 6.00148 6.00516 6.02160 6.06668 6.14163 6.16001 6.19821 6.28125 6.34391 6.40620 6.45831 6.50071 6.52249 6.55298 6.60526 6.60990 6.62118 6.62311 6.63374 6.64070 6.68981 6.70846 6.73247 6.73544 6.77291 6.81898 6.87309 6.89263 6.90509 6.91606 7.00974 7.09731 7.11631 7.14910 7.18057 7.18106 7.18688 7.18967 7.23210 7.23645 7.26791 7.29366 7.30381 7.30848 7.31325 7.32075 7.32471 7.33092 7.34245 7.35179 7.36174 7.36455 7.38359 7.40430 7.41385 7.42527 7.43872 7.44161 7.45999 7.46889 7.48791 7.49802 7.50738 7.51550 7.52819 7.54333 7.55905 7.56675 7.57098 7.57790 7.58963 7.59611 7.61453 7.64300 7.66063 7.67328 7.69368 7.70227 7.72539 7.73212 7.73444 7.74043 7.77128 7.81263 7.81593 7.82861 7.83172 7.85083 7.85790 7.87524 7.88956 7.90178 7.90393 7.90899 7.91740 7.92863 7.95866 7.99063 7.99945 8.02125 8.02665 8.03307 8.04038 8.04550 8.08447 8.10756 8.12330 8.15246 8.16776 8.23075 8.27889 8.29399 8.32051 8.34184 8.36269 8.37983 8.40025 8.45024 8.45651 8.47459 8.50908 8.54082 8.56569 8.58213 8.59253 8.64079 8.71249 8.72025 8.78501 8.86394 8.92503 8.98073 9.07357 9.21906 9.45356 10.15502 10.43539 10.47278 10.49979 10.56543 10.67880 10.76452 10.79100 10.85959 10.94491 11.01378 11.23905 11.40211 11.44835 12.18417 14.48805 14.52006 14.71712 14.89718 15.14179 19.30963 19.33535 19.35883 19.39117 19.40851 19.42228 19.44942 19.46533 19.67457 19.77964 24.15084 24.31804 24.35444 24.38292 24.40152 24.40850 24.44464 24.47851 24.52459 24.57575 24.65528 24.78034 24.98403 25.02063 25.17017 25.24593 25.41812 25.43127 25.47720 25.81279 36.12047 36.17365 36.23532 50.49329 67.01648 67.02068 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 F F O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.407326 -0.431251 -0.736061 -0.711909 -0.476219 -0.639303 -0.052155 -0.360126 -0.527948 -0.277279 -0.127539 0.260326 0.601396 0.117369 0.116336 -0.110309 -0.435790 -0.460361 -0.053988 -0.368307 0.423149 0.219834 0.060426 0.065695 1.001707 -0.053586 0.099251 0.125093 0.086808 0.138232 0.166010 0.130482 0.137819 0.107206 0.134779 0.147028 0.146897 0.137423 0.158488 0.147409 0.137912 0.129850 0.129181 0.279650 0.203386 0.169826 0.153305 0.147900 0.149280 -0.00000 3.4810 -1.6477 -0.9334 3.9628 -125.2890 -148.1286 -157.6648 -9.5296 -9.8594 4.0531 18.4051 -4.4344 -13.9707 -9.5296 -9.8594 4.0531 189.6939 9.8545 23.4797 34.8829 -55.8881 -57.6295 52.2513 -9.8206 -5.4709 24.7856 -9285.2861 -2743.2039 -1532.8703 -367.0967 -239.3613 -62.4694 44.2761 42.1465 68.2150 -2007.3537 -1818.3479 -759.1391 149.1119 -22.0558 -17.8566 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-GARGANTILLA APULGAR 2022-07-22T00:00:00.000 0 Single Point isopyrazam_anti CONF24 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1215.6103105 RMSD=6.890e-09 Dipole=-1.3423221,-0.7579968,0.2330791 Quadrupole=13.2079297,-1.790639,-11.4172907,8.8533752,-5.4714068,-1.9203705 PG=C01 [X(C20H23F2N3O1)] 0 -2.1590035924 0.1702010997 -2.7007529168 0 -2.989519583 1.8865764701 -1.6011749943 0 -0.6538198742 -0.7896820027 1.6212258985 0 -0.7154538442 0.9255250234 0.1125035514 0 -4.5264450784 -1.6652355819 0.4362147659 0 -4.6079691558 -0.9483075841 -0.698128702 0 3.3590156681 -0.6684322799 -0.6330191675 0 1.9980190781 -0.7607190066 0.1277060982 0 4.0152781059 0.2236075049 0.4681393886 0 2.4458993724 -1.3371341293 1.508888131 0 3.8322541258 -0.6612415755 1.7425752756 0 1.7298470978 0.7108041143 0.3492203134 0 2.9793011372 1.322454482 0.5565923678 0 4.0596771424 -1.9852617219 -0.9984458634 0 0.5705014732 1.4754708438 0.369768616 0 3.0926380232 2.6841796751 0.7828162969 0 5.4436358736 -1.7126121791 -1.6058739977 0 3.1977381155 -2.8057252173 -1.9693704244 0 0.6811034054 2.8599590799 0.5816562406 0 1.9227435344 3.4547404368 0.7823074978 0 -1.241308984 -0.1651868149 0.7476705996 0 -2.608415039 -0.579215345 0.3280056783 0 -3.4555537394 -0.286037593 -0.7761154631 0 -3.3510627224 -1.4776597614 1.0754839219 0 -3.2522393566 0.5723066361 -1.9744806434 0 -5.6421647141 -2.5079744266 0.8378912017 0 3.2335384932 -0.0877874751 -1.5552749885 0 1.1937533527 -1.3132225217 -0.3505352669 0 5.0349582462 0.5648483662 0.2925260588 0 2.534293344 -2.4247760417 1.4536612773 0 1.7112778587 -1.1033745589 2.2756746891 0 3.8579574182 -0.0566270583 2.6507001167 0 4.6357940798 -1.3985233576 1.8150327525 0 4.2051830503 -2.585679433 -0.0943956603 0 4.0605779036 3.1485732506 0.9370295627 0 5.3559744461 -1.0978468263 -2.5084988492 0 6.0975971172 -1.1866430427 -0.9056533974 0 5.9389720295 -2.6469626857 -1.8860870571 0 2.2340782006 -3.07283745 -1.5288954966 0 3.0010575145 -2.2390895239 -2.8861530983 0 3.7037571363 -3.7334071598 -2.2527811091 0 -0.2189001964 3.4658120654 0.5895191174 0 1.9791810896 4.526120712 0.9387401105 0 -1.3328704225 1.4892062601 -0.4537372128 0 -3.0952969056 -1.9726560266 1.9978167877 0 -4.1265451931 0.5777178455 -2.6253344911 0 -5.3689109314 -3.0373397342 1.7495218495 0 -6.5239330475 -1.8926600166 1.0217191996 0 -5.8602872478 -3.2273074073 0.0479689527