Gaussian 16 GINC-BELVIS14 APULGAR Optimization sedaxane_cis/ CONF1 gas EM64L-G16RevC.01 24-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 43 43 87 87 642 (5D, 7F) 6-311+G(d,p) 123 123 C1[X(C18H19F2N3O)] C1[X(C18H19F2N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 312.20890639999976 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.0582,1.4111,-1.9309;1.369,-.5622,-2.8007;.5411,-2.3989,1.137;-.42,-.765,-.1345;4.0689,-.3517,.5736;3.8126,.2112,-.5965;-1.5808,2.2592,.0598;-1.3895,1.9488,1.5044;-2.225,1.2594,-.8769;-2.9472,2.514,-.4876;-.7958,2.9828,2.4113;-.0054,1.7632,2.0466;-2.6971,-.0716,-.3993;-1.781,-1.0739,-.035;-4.0547,-.3549,-.3431;-2.248,-2.3198,.3819;-4.523,-1.5914,.0708;-3.6104,-2.5673,.4318;.63,-1.4111,.4379;1.9625,-.8077,.1939;2.545,-.0457,-.8451;3,-.9827,1.0805;1.9966,.435,-2.1368;5.384,-.2483,1.158;-.7777,2.8476,-.3746;-2.1583,1.3187,1.9398;-1.8217,1.2541,-1.8872;-3.7785,2.4242,.2016;-3.0774,3.2858,-1.2349;-1.1819,3.0663,3.4188;-.4993,3.9293,1.9763;.8284,1.8857,1.3649;.1541,1.0011,2.7983;-4.7564,.4163,-.6353;-1.5558,-3.0929,.6698;-5.5859,-1.7886,.1066;-.2278,.1401,-.5319;-3.9539,-3.5405,.757;3.0237,-1.5127,2.0186;2.783,.8539,-2.7674;5.3453,.2878,2.105;5.8098,-1.2364,1.3237;6.0159,.299,.4664; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-2989407/Gau-3629.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-2989407/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/gas/CONF1 #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 sedaxane_cis/ CONF1 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 19 19 16 14 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 (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 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.3696 1.3524 1.2134 1.3991 1.3593 1.007 1.3234 1.3408 1.4428 1.3171 1.49 1.5139 1.4938 1.0862 1.498 1.4981 1.0851 1.499 1.4908 1.0879 1.0836 1.0821 1.4984 1.0822 1.0831 1.084 1.0822 1.4059 1.388 1.3944 1.3855 1.0828 1.3856 1.0769 1.384 1.0817 1.0821 1.483 1.414 1.3759 1.4834 1.0778 1.0916 1.0888 1.0886 1.085 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 128.0617 114.3446 116.4819 112.3357 120.2774 127.3865 105.6842 121.1279 120.5478 113.9331 115.1482 115.9329 119.6072 119.6921 114.7753 116.0196 115.9362 121.7447 114.8386 120.7641 115.082 114.2377 117.0331 118.998 117.7337 118.3974 113.9551 118.3903 117.9409 118.5279 117.9816 113.8375 117.9713 118.347 117.8248 118.8097 113.7715 120.8725 120.3263 118.7761 117.2613 122.9798 119.7501 121.6557 118.5236 119.8204 119.9803 120.4035 119.6158 118.9717 120.309 120.719 120.8643 118.9237 120.2119 124.9581 119.4626 115.5567 135.2592 121.3197 103.3771 111.2762 117.1942 131.4678 107.3192 122.889 129.7917 106.3398 110.6913 107.8808 111.1018 109.4956 111.165 110.8046 110.6781 107.982 109.1756 109.0687 109.0927 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 20 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 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 40 162.9041 -18.1815 -4.4932 174.4212 0.8139 -177.4384 167.982 -10.2702 0.8162 -179.3769 -0.9241 178.9895 179.2859 -0.8006 117.5593 -121.177 -1.8313 -62.6655 58.5981 177.9439 -0.391 -177.8605 -177.681 112.0553 -32.7987 -106.727 -176.9907 38.1553 38.1085 -32.1552 -177.0092 0.1295 -144.7885 143.937 -0.981 -2.2923 141.2187 -146.4647 -2.9537 142.39 -1.3826 -2.0736 -145.8462 1.4495 -142.1705 145.9134 2.2933 3.9645 -139.7147 147.6823 4.003 -71.0683 110.7752 -141.9575 39.8859 74.0417 -104.1148 -143.9632 0.1762 0.1028 144.2422 0.2938 -178.6573 178.4784 -0.4727 178.6926 -1.1229 0.4977 -179.3177 -178.6869 1.535 0.2016 -179.5765 -0.2406 179.9768 179.5725 -0.2101 0.0607 179.9495 179.8405 -0.2707 -0.0449 -179.9323 179.7367 -0.1506 152.3417 -24.8011 -29.3035 153.5538 -177.634 -0.6382 -0.1427 176.8531 178.5479 -1.3575 0.6149 -179.2906 -113.4053 128.6835 6.4745 69.7421 -48.169 -170.3781 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 666 A 642 A 1016 666 2143.6979505385 43 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= 642 RedAO= T EigKep= 1.18D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 5.84D-07 NBFU= 639 Berny optimization. local minimum Step number 35 out of a maximum of 238 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00019 0.00188 0.00420 0.00716 0.00883 0.01138 0.01217 0.01578 0.01640 0.01731 0.01902 0.01975 0.02020 0.02100 0.02138 0.02192 0.02232 0.02252 0.02274 0.02287 0.02293 0.02296 0.02401 0.02686 0.03110 0.03148 0.03152 0.03243 0.03372 0.03664 0.03877 0.04016 0.04282 0.04588 0.05407 0.06145 0.07619 0.07772 0.08013 0.09302 0.09985 0.10277 0.10553 0.10679 0.10987 0.11236 0.15110 0.15297 0.15694 0.15830 0.15904 0.15959 0.15994 0.16000 0.16021 0.16062 0.16149 0.16452 0.16680 0.17271 0.17783 0.18646 0.21922 0.22555 0.22857 0.23547 0.23598 0.24119 0.24500 0.24570 0.24943 0.25073 0.25411 0.26204 0.26611 0.26921 0.28705 0.29797 0.31836 0.32427 0.32586 0.33191 0.33542 0.34060 0.34615 0.34906 0.35030 0.35111 0.35239 0.35286 0.35381 0.35517 0.35569 0.35617 0.35674 0.35706 0.35723 0.35737 0.35760 0.35805 0.35914 0.36315 0.36649 0.37836 0.39561 0.42094 0.43289 0.44310 0.45699 0.46467 0.46636 0.47735 0.47780 0.48226 0.48713 0.50153 0.52504 0.54324 0.56837 0.58784 0.61764 0.79200 0.97488 -8.00039823e-10 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 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 2.63002 2.59174 2.31376 2.66803 2.58738 1.90736 2.53950 2.55352 2.74925 2.51722 2.82712 2.88534 2.84827 2.05221 2.85345 2.85349 2.05094 2.85526 2.83047 2.05595 2.04915 2.04758 2.85676 2.04805 2.04951 2.04945 2.04767 2.67129 2.63609 2.64668 2.63249 2.04859 2.63063 2.03794 2.63011 2.04831 2.04889 2.81560 2.68698 2.61691 2.81056 2.03620 2.05990 2.06134 2.05790 2.06056 2.23174 1.99844 2.03153 1.95827 2.08958 2.23534 1.83606 2.10927 2.10431 1.99027 2.00503 2.03004 2.09316 2.09082 1.99853 2.02737 2.02053 2.11966 1.99657 2.11738 2.01084 1.99406 2.03690 2.07679 2.04773 2.06513 1.99750 2.06591 2.05103 2.06732 2.05451 1.99545 2.05040 2.06345 2.05413 2.07303 1.99403 2.10426 2.11086 2.06797 2.05036 2.13642 2.09627 2.12262 2.06808 2.09248 2.09298 2.08556 2.10456 2.08089 2.09750 2.10479 2.10560 2.07857 2.09902 2.17574 2.08594 2.02136 2.36194 2.11481 1.80602 1.94729 2.03968 2.29576 1.87709 2.14943 2.25666 1.84211 1.93017 1.88197 1.94834 1.90314 1.95362 1.91739 1.89675 1.91288 1.91335 1.90996 1.91346 2.80439 -0.35486 -0.10593 3.01800 0.02888 -3.09354 2.93546 -0.18696 0.00850 -3.13197 -0.01121 3.12607 3.12914 -0.01676 1.09546 -3.09442 -1.00366 -2.04481 0.04849 2.13925 -0.00254 -3.11531 -3.12956 1.92300 -0.59465 -1.89413 -3.12476 0.64077 0.65057 -0.58006 -3.09771 -0.01016 -2.51831 2.48789 -0.02026 -0.03964 2.47263 -2.57146 -0.05919 2.48658 -0.02706 -0.03875 -2.55239 0.03106 -2.47478 2.54122 0.03538 0.06306 -2.44801 2.59155 0.08048 -1.24177 1.91447 -2.48207 0.67417 1.26722 -1.85973 -2.52231 0.00546 -0.00061 2.52717 -0.01080 -3.13516 3.11650 -0.00786 3.13548 -0.00671 0.00824 -3.13395 -3.12108 0.03371 0.00240 -3.12600 -0.00303 3.13949 3.13917 -0.00150 0.00296 -3.13964 3.13121 -0.01139 -0.00270 3.13992 3.13797 -0.00260 2.78413 -0.32092 -0.37558 2.80255 -3.11335 -0.00610 -0.00391 3.10334 3.12393 -0.01300 0.00875 -3.12818 -2.07101 2.16680 0.02787 1.10638 -0.93899 -3.07792 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 0.00001 -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 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00008 -0.00008 -0.00006 -0.00006 0.00004 0.00004 0.00002 0.00002 0.00001 -0.00005 -0.00001 0.00001 0.00006 0.00007 -0.00018 -0.00018 -0.00018 -0.00025 -0.00025 -0.00025 -0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00002 0.00003 0.00001 0.00003 0.00002 0.00004 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00002 0.00000 -0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 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 -0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00007 0.00007 0.00008 0.00008 0.00001 0.00002 -0.00000 0.00001 0.00002 0.00001 -0.00000 -0.00004 0.00001 -0.00003 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00003 0.00001 0.00002 0.00002 0.00002 0.00002 0.00001 0.00003 0.00002 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00002 -0.00007 -0.00003 -0.00008 -0.00002 -0.00005 0.00002 -0.00001 0.00003 0.00007 -0.00001 0.00003 0.00002 0.00001 0.00001 0.00005 0.00004 0.00005 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00000 0.00001 0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00002 -0.00000 0.00002 -0.00000 -0.00002 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 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00003 0.00002 0.00005 0.00006 0.00002 0.00003 0.00002 -0.00005 -0.00001 -0.00004 0.00007 0.00004 -0.00018 -0.00018 -0.00018 -0.00026 -0.00026 -0.00026 -0.00003 0.00000 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00002 0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00001 -0.00003 -0.00001 -0.00002 -0.00000 0.00002 0.00004 0.00000 0.00002 0.00004 0.00004 0.00003 0.00004 0.00005 0.00005 0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00008 -0.00003 -0.00010 -0.00004 -0.00007 0.00002 -0.00001 0.00005 0.00007 -0.00001 0.00002 0.00002 0.00000 0.00000 0.00005 0.00003 0.00004 2.63003 2.59173 2.31376 2.66803 2.58738 1.90736 2.53949 2.55353 2.74926 2.51722 2.82713 2.88533 2.84827 2.05221 2.85345 2.85348 2.05094 2.85526 2.83048 2.05595 2.04916 2.04758 2.85675 2.04806 2.04951 2.04946 2.04767 2.67130 2.63609 2.64668 2.63249 2.04859 2.63063 2.03794 2.63010 2.04831 2.04889 2.81560 2.68697 2.61691 2.81055 2.03620 2.05990 2.06134 2.05790 2.06056 2.23174 1.99844 2.03153 1.95827 2.08958 2.23533 1.83605 2.10926 2.10429 1.99027 2.00504 2.03006 2.09315 2.09082 1.99853 2.02738 2.02053 2.11968 1.99657 2.11738 2.01084 1.99405 2.03690 2.07682 2.04773 2.06515 1.99748 2.06592 2.05103 2.06733 2.05452 1.99543 2.05042 2.06345 2.05415 2.07303 1.99401 2.10426 2.11085 2.06798 2.05036 2.13642 2.09627 2.12262 2.06808 2.09249 2.09298 2.08556 2.10457 2.08089 2.09750 2.10480 2.10560 2.07856 2.09902 2.17574 2.08594 2.02135 2.36194 2.11481 1.80602 1.94729 2.03968 2.29575 1.87708 2.14942 2.25667 1.84212 1.93018 1.88196 1.94835 1.90314 1.95362 1.91738 1.89675 1.91288 1.91335 1.90996 1.91346 2.80439 -0.35487 -0.10590 3.01802 0.02893 -3.09348 2.93548 -0.18693 0.00852 -3.13202 -0.01122 3.12603 3.12921 -0.01672 1.09528 -3.09460 -1.00385 -2.04507 0.04823 2.13899 -0.00256 -3.11531 -3.12954 1.92302 -0.59464 -1.89412 -3.12474 0.64078 0.65058 -0.58004 -3.09770 -0.01017 -2.51833 2.48788 -0.02028 -0.03965 2.47263 -2.57146 -0.05919 2.48656 -0.02706 -0.03876 -2.55238 0.03103 -2.47479 2.54120 0.03538 0.06308 -2.44796 2.59155 0.08050 -1.24173 1.91451 -2.48204 0.67420 1.26727 -1.85967 -2.52229 0.00547 -0.00059 2.52718 -0.01081 -3.13516 3.11649 -0.00786 3.13548 -0.00672 0.00824 -3.13396 -3.12107 0.03372 0.00241 -3.12599 -0.00303 3.13949 3.13918 -0.00148 0.00296 -3.13964 3.13121 -0.01139 -0.00270 3.13992 3.13796 -0.00261 2.78412 -0.32101 -0.37561 2.80245 -3.11339 -0.00618 -0.00389 3.10333 3.12398 -0.01293 0.00874 -3.12816 -2.07099 2.16680 0.02787 1.10644 -0.93895 -3.07788 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000001 0.000594 0.000112 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.016637e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.3917 1.3715 1.2244 1.4119 1.3692 1.0093 1.3438 1.3513 1.4548 1.3321 1.496 1.5269 1.5072 1.086 1.51 1.51 1.0853 1.5109 1.4978 1.088 1.0844 1.0835 1.5117 1.0838 1.0846 1.0845 1.0836 1.4136 1.395 1.4006 1.3931 1.0841 1.3921 1.0784 1.3918 1.0839 1.0842 1.49 1.4219 1.3848 1.4873 1.0775 1.0901 1.0908 1.089 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 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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 127.8695 114.5022 116.3983 112.2004 119.724 128.0755 105.1982 120.8521 120.568 114.0343 114.8798 116.3129 119.9291 119.795 114.5074 116.1599 115.768 121.4478 114.3949 121.3167 115.2126 114.251 116.7061 118.9915 117.3266 118.3235 114.4483 118.3679 117.5156 118.4487 117.7148 114.3309 117.4794 118.2271 117.6932 118.776 114.2496 120.565 120.9436 118.4862 117.4771 122.4077 120.1075 121.6172 118.4922 119.8905 119.9191 119.4939 120.5826 119.226 120.1782 120.5958 120.6421 119.0932 120.2647 124.6605 119.5154 115.8152 135.3292 121.1697 103.4774 111.5713 116.865 131.5374 107.5491 123.1531 129.2973 105.5451 110.5906 107.8291 111.6319 109.0417 111.9342 109.8582 108.676 109.5997 109.6266 109.4325 109.6331 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 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 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 160.6799 -20.3319 -6.0693 172.9189 1.6546 -177.247 168.1895 -10.7121 0.487 -179.4486 -0.6425 179.1106 179.2865 -0.9604 62.7653 -177.2972 -57.5057 -117.159 2.7785 122.57 -0.1453 -178.4943 -179.3105 110.1798 -34.0711 -108.5259 -179.0356 36.7135 37.2747 -33.235 -177.4859 -0.5821 -144.2887 142.5458 -1.1609 -2.2713 141.6715 -147.334 -3.3911 142.4707 -1.5503 -2.2202 -146.2411 1.7796 -141.7944 145.6013 2.0273 3.6131 -140.2604 148.4848 4.6113 -71.148 109.691 -142.2122 38.6269 72.6063 -106.5547 -144.5179 0.313 -0.0348 144.7961 -0.619 -179.6316 178.5622 -0.4504 179.6501 -0.3843 0.472 -179.5623 -178.8248 1.9313 0.1376 -179.1064 -0.1737 179.8794 179.8611 -0.0858 0.1698 -179.8882 179.4054 -0.6526 -0.1544 179.9043 179.7922 -0.1491 159.5188 -18.3876 -21.5194 160.5742 -178.3819 -0.3497 -0.2239 177.8083 178.988 -0.7449 0.5014 -179.2315 -118.6603 124.1485 1.5969 63.3912 -53.8001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0473402772 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.0582,1.4111,-1.9309;1.369,-.5622,-2.8007;.5411,-2.3989,1.137;-.42,-.765,-.1345;4.0689,-.3516,.5735;3.8126,.2112,-.5964;-1.5808,2.2592,.0598;-1.3895,1.9488,1.5044;-2.225,1.2595,-.8769;-2.9471,2.514,-.4876;-.7958,2.9828,2.4113;-.0054,1.7632,2.0466;-2.6971,-.0716,-.3993;-1.781,-1.0739,-.035;-4.0547,-.3549,-.3431;-2.248,-2.3198,.3819;-4.523,-1.5914,.0708;-3.6104,-2.5673,.4318;.63,-1.4111,.4379;1.9625,-.8077,.1939;2.545,-.0457,-.8451;3,-.9827,1.0805;1.9966,.435,-2.1368;5.384,-.2483,1.158;-.7777,2.8476,-.3746;-2.1583,1.3187,1.9398;-1.8217,1.2541,-1.8872;-3.7785,2.4242,.2016;-3.0773,3.2858,-1.2349;-1.1819,3.0663,3.4188;-.4993,3.9293,1.9763;.8284,1.8857,1.3649;.1541,1.0011,2.7983;-4.7564,.4163,-.6353;-1.5558,-3.0929,.6698;-5.5859,-1.7886,.1066;-.2278,.1401,-.5318;-3.9539,-3.5405,.757;3.0237,-1.5126,2.0186;2.783,.8539,-2.7674;5.3454,.2878,2.1049;5.8098,-1.2364,1.3237;6.0159,.299,.4664; 0.000000 2.178779 0.000000 4.918904 4.423185 0.000000 3.185486 3.217154 2.282625 0.000000 4.294632 4.326620 4.117554 4.563204 0.000000 3.287454 3.380592 4.529963 4.368262 1.323399 0.000000 3.412644 4.984327 5.230762 3.245104 6.244968 5.806362 0.000000 4.252265 5.696355 4.771262 3.315216 5.996105 5.873280 1.489951 0.000000 3.451607 4.465017 5.009103 2.812031 6.656834 6.134417 1.513892 2.616088 0.000000 4.397977 5.782931 6.240568 4.154881 7.652686 7.142101 1.493845 2.591147 1.498978 0.000000 4.976108 6.664654 5.689778 4.546194 6.177469 6.161627 2.582501 1.497992 3.978003 3.640292 0.000000 4.132274 5.549121 4.295226 3.364646 4.821044 4.896100 2.583699 1.498089 3.705065 3.954782 1.498380 0.000000 4.318186 4.747717 4.273530 2.395035 6.841381 6.518904 2.624773 3.068518 1.490842 2.599174 4.565440 4.073600 0.000000 4.222595 4.222913 2.919159 1.399111 5.925641 5.766726 3.340410 3.414610 2.519989 3.799731 4.838505 3.941400 1.405938 0.000000 5.637518 5.958107 5.243163 3.663715 8.175210 7.891772 3.621613 3.977899 2.497734 3.078684 5.417309 5.156957 1.387965 2.404551 0.000000 5.495392 5.128372 2.890622 2.454721 6.619208 6.640363 4.638557 4.496467 3.794216 4.960949 5.860450 4.946872 2.422082 1.394366 2.766021 0.000000 6.646140 6.634724 5.237738 4.190388 8.695428 8.554357 4.846006 4.940338 3.782323 4.432815 6.347670 5.963703 2.421677 2.792418 1.385500 2.408909 0.000000 6.573068 6.266011 4.214334 3.707747 7.993799 7.992395 5.249066 5.145680 4.275010 5.206272 6.530219 5.861465 2.784469 2.407261 2.385949 1.385571 1.384016 0.000000 3.709355 3.428577 1.213439 1.359319 3.600964 3.718986 4.301377 4.062654 4.124561 5.390705 5.023300 3.614960 3.683106 2.479972 4.865444 3.018584 5.169198 4.395193 0.000000 3.202443 3.062725 2.332765 2.405452 2.188390 2.255173 4.688164 4.533433 4.791188 5.966862 5.185824 3.730235 4.754603 3.759919 6.058117 4.477748 6.533832 5.848920 1.482965 0.000000 2.347748 2.339684 3.671795 3.132703 2.104388 1.317071 4.811855 4.997939 4.945526 6.069960 5.562124 4.259003 5.261172 4.519703 6.626045 5.445185 7.292787 6.773310 2.679119 1.414048 0.000000 4.309181 4.230909 2.838166 3.635977 1.340784 2.213084 5.703979 5.295423 6.013299 7.074954 5.648379 4.183983 5.956301 4.910250 7.224291 5.460565 7.614825 6.828563 2.492670 1.375866 2.189241 0.000000 1.369587 1.352439 4.568152 3.359979 3.501371 2.391836 4.577170 5.197727 4.482143 5.610970 5.913881 4.824262 5.030627 4.578724 6.360827 5.652408 7.175311 6.859297 3.450382 2.641597 1.483395 3.656209 0.000000 5.568454 5.647184 5.298987 5.968627 1.442834 2.399707 7.483463 7.129392 8.019481 8.930131 7.085246 5.820775 8.231745 7.310402 9.557971 7.946147 10.056565 9.316882 4.946840 3.598485 3.480444 2.495741 4.774695 0.000000 2.802838 4.703261 5.616945 3.638163 5.884178 5.298171 1.086232 2.170934 2.206676 2.197889 2.789203 2.763101 3.493790 4.062001 4.582138 5.425519 5.824994 6.164060 4.558335 4.603596 4.430931 5.573077 4.077087 7.063988 0.000000 5.033534 6.200941 4.663885 3.415570 6.590502 6.581105 2.180044 1.085149 2.818115 2.818467 2.201752 2.200872 2.773911 3.125166 3.407242 3.959061 4.189742 4.414069 4.181188 4.954871 5.633715 5.713397 5.887546 7.742924 3.098406 0.000000 2.884483 3.783320 5.298392 3.018778 6.582759 5.873589 2.204300 3.488902 1.087867 2.193840 4.745267 4.362679 2.176619 2.975156 3.155841 4.254753 4.384909 4.814540 4.303493 4.785611 4.673712 6.087598 3.913118 7.965710 2.432533 3.842324 0.000000 5.382105 6.665459 6.541908 4.643611 8.332192 7.947274 2.208432 2.762342 2.221004 1.083590 3.753812 4.251751 2.785543 4.035170 2.845417 4.988062 4.086166 4.999664 5.848123 6.588205 6.868991 7.637245 6.540387 9.592106 3.084810 2.620833 3.092114 0.000000 4.593659 6.085116 7.143898 4.968000 8.220142 7.571836 2.229300 3.484272 2.227262 1.082095 4.311811 4.745910 3.480629 4.703941 3.873632 5.892760 5.251843 6.109065 6.213205 6.648207 6.546937 7.779161 5.889449 9.476857 2.494131 3.846156 2.475918 1.815834 0.000000 6.031270 7.639010 6.167946 5.280618 6.881027 7.015601 3.477554 2.226345 4.775506 4.322176 1.082163 2.228233 5.169103 5.424793 5.840341 6.274529 6.638241 6.823301 5.675908 5.940947 6.461847 6.272976 6.920351 7.694712 3.821100 2.488917 5.643281 4.183891 5.029653 0.000000 4.902325 6.817863 6.467852 5.147608 6.415841 6.247881 2.762551 2.222042 4.271596 3.750407 1.083079 2.222850 5.145916 5.542511 6.031133 6.682172 7.092169 7.366821 5.671166 5.628205 5.747110 6.097170 5.946196 7.261936 2.602694 3.093322 4.881759 4.020888 4.167929 1.814251 0.000000 3.337654 4.861736 4.300316 3.291350 4.016607 3.944174 2.765293 2.223202 3.839417 4.252206 2.221813 1.083989 4.401435 4.186608 5.637595 5.302566 6.511711 6.356335 3.430446 3.148341 3.400227 3.608980 3.966270 5.034949 2.555443 3.093908 4.242366 4.781883 4.896291 3.106996 2.512522 0.000000 4.832215 5.938703 3.803878 3.471295 4.701598 5.053004 3.477370 2.225990 4.385650 4.764888 2.231412 1.082214 4.416395 4.009667 5.424153 4.757903 6.002952 5.701339 3.408323 3.650311 4.481823 3.871101 5.298179 5.621682 3.787471 2.486955 5.091296 4.922750 5.650545 2.536730 3.110816 1.814374 0.000000 6.039642 6.570099 6.255396 4.522182 8.940737 8.571545 3.736783 4.273452 2.678954 2.774065 5.617308 5.619462 2.129352 3.381419 1.082776 3.848762 2.141040 3.369563 5.788303 6.879628 7.319018 8.066143 6.917932 10.319162 4.670019 3.767694 3.298708 2.384996 3.378235 6.019514 6.106013 6.111403 6.020302 0.000000 5.820825 5.196388 2.257623 2.712189 6.257860 6.429626 5.386792 5.113022 4.667218 5.891796 6.365862 5.280229 3.402051 2.150316 3.842852 1.076905 3.378982 2.134080 2.767629 4.222181 5.328842 5.037554 5.739567 7.516027 6.081576 4.630153 5.050221 5.966425 6.828664 6.755189 7.220406 5.563652 4.920873 4.925610 0.000000 7.650718 7.637195 6.242995 5.271855 9.772356 9.634644 5.694531 5.790648 4.642533 5.082191 7.143007 6.893545 3.398384 3.874082 2.145291 3.391134 1.081677 2.148255 6.236204 7.612409 8.369932 8.678511 8.214151 11.127338 6.696636 4.976415 5.234723 4.585138 5.817360 7.344106 7.878015 7.498486 6.926429 2.469838 4.273249 0.000000 2.286127 2.861887 3.134159 1.006978 4.463769 4.041540 2.582872 2.961001 2.315412 3.610072 4.131032 3.054893 2.481983 2.032992 3.863457 3.311706 4.670135 4.438540 2.020519 2.494479 2.796621 3.778736 2.758775 5.873555 2.767247 3.350395 2.370319 4.285166 4.302309 5.008029 4.552181 2.785722 3.460764 4.538199 3.695905 5.730384 0.000000 7.540885 7.061237 4.653300 4.581172 8.635333 8.730815 6.305146 6.104722 5.357104 6.262645 7.433975 6.736723 3.866554 3.381348 3.371784 2.130997 2.143312 1.082133 5.064476 6.541399 7.550968 7.416530 7.719366 9.909440 7.223402 5.313727 5.875933 5.993137 7.164844 7.643269 8.319818 7.258421 6.455167 4.270736 2.441154 2.481102 5.393763 0.000000 5.292467 5.183392 2.779567 4.129699 2.128070 3.229982 6.266205 5.632292 6.604396 7.625412 5.911993 4.461753 6.375829 5.243564 7.551341 5.578666 7.794408 6.902290 2.870338 2.225463 3.253016 1.077776 4.702818 2.812517 6.260175 5.905566 6.810874 8.066624 8.416267 6.372920 6.482935 4.098283 3.893749 8.443569 5.028746 8.823717 4.450696 7.375068 0.000000 1.996335 2.001500 5.554442 4.451125 3.777441 2.487235 5.386167 6.071067 5.368378 6.386585 6.645234 5.637136 6.041275 5.657968 7.354814 6.730649 8.210520 7.925586 4.476590 3.493391 2.135712 4.269246 1.091575 4.836249 4.730649 6.840375 4.705132 7.371169 6.527401 7.673610 6.537163 4.686276 6.157110 7.847292 6.798273 9.234824 3.817352 8.781769 5.344625 0.000000 5.994108 6.371767 5.588897 6.273988 2.093632 3.106865 7.486018 6.962622 8.194282 8.969017 6.713456 5.550726 8.431005 7.564247 9.734858 8.211419 10.249528 9.547561 5.282008 4.036784 4.081165 2.857292 5.406345 1.088828 7.084635 7.575902 8.260571 9.561970 9.543818 7.214632 6.887486 4.848100 5.285675 10.467564 7.817545 11.304748 6.167174 10.146404 2.939208 5.534088 0.000000 6.338662 6.098004 5.398621 6.415519 2.091887 3.125844 8.272655 7.874517 8.696547 9.696921 7.913142 6.583022 8.757452 7.713095 10.043093 8.184652 10.414482 9.555420 5.257850 4.032550 4.096313 2.831640 5.413776 1.088571 7.934565 8.390345 8.645863 10.324418 10.294531 8.472648 8.180157 5.879077 6.258376 10.872546 7.624003 11.473807 6.464480 10.047901 2.884697 5.501596 1.774590 0.000000 5.618040 5.745393 6.140199 6.550906 2.055630 2.447797 7.856036 7.657662 8.404766 9.281857 7.575256 6.395075 8.763788 7.932691 10.124260 8.669349 10.714395 10.044020 5.650948 4.210589 3.726372 3.333978 4.790617 1.085012 7.304455 8.368273 8.238876 10.025789 9.721240 8.257273 7.609660 5.498661 6.347542 10.829095 8.299200 11.793646 6.324961 10.687589 3.826872 4.606185 1.770515 1.770569 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0668,1.2258,2.0637;-1.4212,-.8115,2.7499;-.5723,-2.3039,-1.3264;.3988,-.807,.0971;-4.0731,-.2535,-.6229;-3.8229,.1981,.5956;1.6115,2.2016,.1874;1.4341,2.0247,-1.2813;2.227,1.1112,1.0383;2.9747,2.3827,.7711;.8693,3.1457,-2.0989;.0543,1.9125,-1.8539;2.6834,-.18,.449;1.7557,-1.1296,-.0139;4.0367,-.4809,.3835;2.2076,-2.3414,-.5351;4.49,-1.6836,-.1339;3.5663,-2.6073,-.5912;-.6541,-1.381,-.5428;-1.9796,-.7785,-.2613;-2.563,-.1021,.8349;-3.0082,-.8555,-1.1718;-2.0237,.2518,2.1707;-5.3786,-.0754,-1.2109;.8126,2.7629,.6633;2.198,1.4226,-1.7624;1.8105,1.0228,2.0393;3.8133,2.3401,.0863;3.1078,3.0823,1.5858;1.2698,3.312,-3.0904;.5828,4.0547,-1.5844;-.7862,1.9884,-1.1736;-.1079,1.2234,-2.6725;4.7471,.2488,.7515;1.5066,-3.0734,-.8989;5.5499,-1.8954,-.1749;.2163,.0623,.5715;3.898,-3.5535,-.9982;-3.0283,-1.2992,-2.1538;-2.8113,.6265,2.8271;-5.3188,.5422,-2.1056;-5.8183,-1.0372,-1.4691;-6.0104,.419,-.4804; 0.3655160 0.1723796 0.1587227 -24.70388 -24.70077 -19.09405 -14.42414 -14.35964 -14.35175 -10.35167 -10.28627 -10.23557 -10.22945 -10.22473 -10.21679 -10.19866 -10.18361 -10.18322 -10.18050 -10.17817 -10.17191 -10.16881 -10.16855 -10.16852 -10.16732 -10.16493 -10.16337 -1.27755 -1.21654 -1.10086 -1.05505 -0.95340 -0.88998 -0.88788 -0.85915 -0.84376 -0.82691 -0.77125 -0.75608 -0.74973 -0.71111 -0.66560 -0.64646 -0.64212 -0.62658 -0.61203 -0.60288 -0.58789 -0.58453 -0.57252 -0.56751 -0.56266 -0.55791 -0.53476 -0.51833 -0.51432 -0.50978 -0.50026 -0.49142 -0.47175 -0.46355 -0.45643 -0.45252 -0.44710 -0.44324 -0.43684 -0.42971 -0.42820 -0.42468 -0.42107 -0.41863 -0.41774 -0.38797 -0.38139 -0.36788 -0.36636 -0.36266 -0.35592 -0.34557 -0.33957 -0.33392 -0.31686 -0.31244 -0.28915 -0.28751 -0.28180 -0.27113 -0.26333 -0.24447 -0.22206 -0.04130 -0.02159 -0.01106 -0.00884 0.00287 0.00793 0.01071 0.01622 0.01821 0.02315 0.02564 0.03180 0.03486 0.03920 0.04236 0.04733 0.04982 0.05281 0.05741 0.06116 0.06440 0.06916 0.07179 0.07716 0.07747 0.07967 0.08285 0.08655 0.09539 0.09669 0.10323 0.10535 0.11020 0.11269 0.11626 0.11706 0.11875 0.12643 0.12691 0.13141 0.13395 0.13728 0.14067 0.14393 0.14540 0.14902 0.15339 0.15538 0.15816 0.15850 0.16325 0.16360 0.16825 0.17005 0.17413 0.17673 0.17967 0.18430 0.18571 0.18722 0.19014 0.19358 0.19500 0.19673 0.19778 0.20163 0.20302 0.20701 0.20842 0.21192 0.21400 0.21483 0.21889 0.22038 0.22259 0.22377 0.22537 0.23080 0.23520 0.23704 0.23837 0.24048 0.24317 0.24705 0.25112 0.25871 0.26025 0.26319 0.26568 0.26789 0.26974 0.27270 0.27769 0.27969 0.28194 0.28863 0.28908 0.29338 0.29701 0.29788 0.29914 0.30532 0.30783 0.31105 0.31555 0.31864 0.32286 0.32609 0.32876 0.33327 0.34004 0.34082 0.34624 0.34833 0.35400 0.35653 0.35992 0.36279 0.36700 0.36964 0.37348 0.37675 0.38135 0.38343 0.38884 0.39145 0.40080 0.40250 0.41158 0.41417 0.42070 0.42804 0.43123 0.43635 0.44227 0.44868 0.45596 0.46727 0.47086 0.47280 0.48271 0.49094 0.49918 0.50365 0.51307 0.51919 0.52957 0.53205 0.53409 0.54577 0.55150 0.55850 0.55957 0.56501 0.56751 0.57363 0.57732 0.57935 0.58843 0.60059 0.60118 0.61059 0.61324 0.62243 0.62466 0.62598 0.63863 0.64803 0.65265 0.65385 0.66075 0.66163 0.66828 0.67026 0.67756 0.68314 0.68554 0.68977 0.69283 0.69495 0.70316 0.70697 0.71120 0.71298 0.71396 0.72283 0.72521 0.72696 0.73517 0.73811 0.74424 0.74789 0.75388 0.75632 0.75876 0.76452 0.77065 0.78339 0.78613 0.79617 0.80125 0.80356 0.81473 0.81641 0.82191 0.82820 0.82995 0.84212 0.84767 0.85156 0.86473 0.87109 0.87548 0.88800 0.89749 0.90259 0.90677 0.91570 0.92293 0.93549 0.94098 0.95165 0.95741 0.96613 0.97018 0.97952 0.98542 1.00058 1.00417 1.00726 1.02267 1.03393 1.03687 1.04792 1.05170 1.05483 1.06880 1.07671 1.08413 1.09042 1.10813 1.11151 1.11444 1.13189 1.14713 1.15077 1.16100 1.16481 1.20311 1.20840 1.21722 1.22092 1.23781 1.24858 1.25277 1.27122 1.27677 1.28216 1.29625 1.30121 1.31193 1.31578 1.33073 1.34339 1.36366 1.36873 1.38433 1.38768 1.39201 1.39963 1.41704 1.42553 1.44204 1.44670 1.45685 1.47595 1.48530 1.49727 1.50230 1.50981 1.51775 1.52362 1.52892 1.53230 1.54109 1.54542 1.55182 1.55495 1.56245 1.56580 1.57791 1.58661 1.58955 1.59255 1.59615 1.60842 1.61221 1.61415 1.61914 1.62907 1.63582 1.64602 1.65239 1.65569 1.67113 1.67812 1.68502 1.69010 1.69186 1.70764 1.71141 1.72166 1.72654 1.73832 1.74822 1.74880 1.75543 1.76688 1.77205 1.78028 1.79090 1.79406 1.80410 1.81677 1.81993 1.82768 1.83462 1.85335 1.85862 1.85915 1.87225 1.88162 1.88768 1.89707 1.90781 1.91586 1.92633 1.93093 1.93482 1.94589 1.94947 1.96476 1.97160 1.97927 1.99336 1.99999 2.00098 2.01087 2.01465 2.03707 2.05208 2.05423 2.06091 2.06812 2.08377 2.09740 2.09996 2.10394 2.11271 2.13536 2.13896 2.14002 2.14303 2.15156 2.16755 2.17453 2.18653 2.20615 2.21836 2.22377 2.23535 2.24508 2.26370 2.27155 2.29252 2.30360 2.32789 2.32935 2.34517 2.35294 2.37208 2.38654 2.40438 2.40701 2.42745 2.43149 2.44239 2.44500 2.45506 2.46086 2.47409 2.48341 2.50027 2.50718 2.51483 2.51967 2.52983 2.55440 2.59655 2.60948 2.61779 2.63589 2.64213 2.64761 2.65607 2.67309 2.68038 2.68359 2.69277 2.69535 2.71288 2.71710 2.73383 2.73953 2.75381 2.76457 2.77208 2.77964 2.79228 2.79826 2.80491 2.80927 2.82175 2.82976 2.83477 2.84355 2.85810 2.86257 2.87354 2.88413 2.89613 2.89821 2.91370 2.92336 2.92973 2.93341 2.94698 2.95326 2.96686 2.97224 2.98181 2.98793 2.99455 3.00022 3.01032 3.03211 3.04185 3.05646 3.05749 3.06323 3.09879 3.10895 3.11867 3.15984 3.17562 3.18557 3.22591 3.23733 3.26842 3.28895 3.33713 3.35089 3.38430 3.39221 3.42189 3.42749 3.45195 3.46235 3.49784 3.52343 3.53532 3.56376 3.58609 3.59314 3.60950 3.63589 3.63832 3.65350 3.66704 3.70317 3.70975 3.72915 3.76425 3.77453 3.78532 3.80937 3.83604 3.84452 3.85115 3.86172 3.88571 3.90865 3.96325 3.98110 4.01237 4.03316 4.04236 4.05437 4.07666 4.08902 4.11120 4.15346 4.16963 4.21317 4.24803 4.30553 4.36868 4.39611 4.44823 4.55103 4.61573 4.67066 4.80117 4.87411 4.91412 4.92963 5.00945 5.13944 5.16052 5.31745 5.48239 5.83867 6.38320 6.40519 6.40808 6.48030 6.60545 6.73707 23.63531 23.68649 23.78311 23.88855 23.91221 23.91772 23.93660 23.94215 23.95786 23.97910 23.99600 23.99841 24.00976 24.01966 24.10230 24.13671 24.15643 24.23144 35.52328 35.60390 35.68244 50.06902 66.77110 66.83037 1-A. -3.3202 2.4704 -1.2136 4.3127 -113.8422 -146.9182 -140.6645 1.3304 8.4250 1.3480 19.9661 -13.1099 -6.8562 1.3304 8.4250 1.3480 -141.3894 5.9132 23.0399 0.9718 -15.8646 -41.5220 -37.3022 14.7679 14.9939 2.4326 -5577.9714 -2369.9043 -1445.5199 30.9322 232.2210 -41.0983 33.6225 -31.4262 28.5728 -1441.6592 -1261.8536 -664.8558 60.6486 -28.3469 21.2983 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; 0.000000 2.200233 0.000000 4.867408 4.586875 0.000000 3.082158 3.237529 2.297948 0.000000 4.350708 4.358800 4.137396 4.609377 0.000000 3.353218 3.386922 4.576003 4.397013 1.343847 0.000000 3.181170 4.876376 5.224095 3.265648 6.340777 5.835804 0.000000 4.025239 5.641232 4.754498 3.350867 6.125787 5.931143 1.496050 0.000000 3.292176 4.378797 5.021880 2.826956 6.736553 6.167783 1.526855 2.629122 0.000000 4.204137 5.669858 6.259500 4.187019 7.751952 7.175495 1.507242 2.608344 1.510936 0.000000 4.729222 6.580676 5.637154 4.567515 6.285366 6.185948 2.602379 1.509982 4.007081 3.683997 0.000000 3.920363 5.497776 4.208068 3.356754 4.942485 4.948126 2.600632 1.510000 3.714496 3.984916 1.511732 0.000000 4.193562 4.738453 4.291137 2.415218 6.916395 6.563758 2.638383 3.075544 1.497822 2.622782 4.585339 4.057885 0.000000 4.120580 4.267712 2.934324 1.411861 5.981930 5.808520 3.351609 3.423398 2.528847 3.826606 4.845718 3.907570 1.413588 0.000000 5.532997 5.974561 5.258094 3.687490 8.251314 7.943357 3.639874 3.973359 2.517559 3.112436 5.432034 5.130816 1.394961 2.413531 0.000000 5.420913 5.231556 2.896866 2.464640 6.654741 6.680753 4.651488 4.494870 3.812907 4.997535 5.852993 4.889450 2.438451 1.400560 2.781519 0.000000 6.560149 6.700177 5.246171 4.211081 8.755618 8.605019 4.863215 4.927971 3.806431 4.472644 6.347263 5.915225 2.433924 2.800047 1.393053 2.418656 0.000000 6.502940 6.372571 4.220202 3.726087 8.037567 8.040637 5.266982 5.137199 4.301829 5.249975 6.522316 5.801784 2.804031 2.417506 2.402287 1.392069 1.391792 0.000000 3.643110 3.529213 1.224387 1.369180 3.625015 3.748870 4.307091 4.074244 4.140555 5.416487 5.005115 3.568873 3.706209 2.498264 4.890475 3.031072 5.190014 4.413046 0.000000 3.179959 3.126324 2.348739 2.423086 2.207274 2.277903 4.717537 4.582692 4.822658 6.007926 5.202526 3.743832 4.791144 3.788009 6.097365 4.496835 6.566513 5.875194 1.489954 0.000000 2.367468 2.365776 3.710395 3.133650 2.125761 1.332054 4.788707 4.995447 4.939315 6.057612 5.523385 4.238704 5.273718 4.536216 6.648165 5.469892 7.320701 6.805353 2.693506 1.421888 0.000000 4.319200 4.283829 2.835259 3.678878 1.351265 2.236986 5.802323 5.428428 6.092511 7.179365 5.759580 4.295721 6.028241 4.960586 7.294297 5.483811 7.665142 6.859387 2.504691 1.384808 2.203923 0.000000 1.391748 1.371489 4.626324 3.331338 3.526325 2.403516 4.438377 5.084794 4.390257 5.486969 5.761938 4.709294 4.990344 4.568947 6.341085 5.679208 7.184706 6.892266 3.468340 2.652996 1.487282 3.675149 0.000000 5.647771 5.675232 5.328493 6.034610 1.454838 2.420997 7.621121 7.309870 8.130033 9.069713 7.256116 6.001937 8.333114 7.387334 9.660075 7.996418 10.137576 9.375703 4.985750 3.631336 3.510835 2.523327 4.806648 0.000000 2.546358 4.541070 5.586104 3.631063 5.952762 5.296001 1.085985 2.177372 2.214918 2.214109 2.806417 2.784890 3.499777 4.056685 4.601113 5.422686 5.840409 6.172998 4.535208 4.601231 4.373294 5.641446 3.891679 7.175913 0.000000 4.832109 6.191285 4.686000 3.483075 6.746397 6.668057 2.182455 1.085313 2.828028 2.822028 2.214267 2.209725 2.786100 3.157383 3.392094 3.980360 4.171588 4.414401 4.232022 5.038294 5.664414 5.876969 5.813914 7.948373 3.101805 0.000000 2.767221 3.654312 5.301228 3.005118 6.623979 5.877326 2.210687 3.496313 1.087959 2.206142 4.764930 4.364028 2.183064 2.972868 3.190260 4.269037 4.423682 4.847955 4.299208 4.788340 4.645832 6.126200 3.812744 8.030975 2.433188 3.850041 0.000000 5.182491 6.574515 6.562770 4.682467 8.442264 7.989240 2.217356 2.774212 2.227787 1.084365 3.799456 4.276065 2.806003 4.064195 2.869903 5.026757 4.119808 5.041431 5.879508 6.636669 6.863238 7.753623 6.425388 9.746685 3.099035 2.615402 3.102471 0.000000 4.412449 5.931603 7.159188 4.989908 8.303537 7.586128 2.242526 3.503591 2.238404 1.083531 4.360447 4.783394 3.504851 4.727995 3.918579 5.930729 5.304921 6.161007 6.230689 6.676127 6.518695 7.868736 5.744852 9.599704 2.514570 3.850859 2.489872 1.822756 0.000000 5.790661 7.576197 6.125122 5.316202 7.005498 7.053591 3.497409 2.238243 4.807008 4.365451 1.083784 2.240734 5.194711 5.442349 5.855645 6.275705 6.637775 6.818408 5.672434 5.972883 6.437072 6.403305 6.782765 7.887684 3.838179 2.503775 5.666168 4.231703 5.077603 0.000000 4.630847 6.676609 6.396350 5.146946 6.480368 6.222935 2.777855 2.229228 4.299304 3.799932 1.084551 2.233069 5.166156 5.541902 6.058308 6.671867 7.105781 7.366121 5.627043 5.607210 5.663494 6.167274 5.742951 7.389967 2.613454 3.103208 4.898050 4.077640 4.226159 1.821921 0.000000 3.126858 4.771492 4.178173 3.239354 4.106051 3.968369 2.774471 2.228810 3.835724 4.275700 2.232803 1.084525 4.368584 4.125433 5.603007 5.220623 6.454088 6.281104 3.336602 3.111926 3.341535 3.673798 3.821289 5.185840 2.574062 3.097503 4.228936 4.799873 4.929673 3.119564 2.520143 0.000000 4.659755 5.942167 3.712575 3.472718 4.865162 5.149780 3.492151 2.236511 4.388596 4.786695 2.244231 1.083578 4.388220 3.967124 5.373261 4.679050 5.922157 5.609785 3.376299 3.696900 4.503672 4.024135 5.234511 5.848869 3.809356 2.494650 5.088240 4.935689 5.679953 2.549644 3.123182 1.820892 0.000000 5.934616 6.562186 6.271074 4.548905 9.027085 8.626204 3.760433 4.270907 2.702738 2.809853 5.641651 5.606834 2.136328 3.392328 1.084065 3.865570 2.149640 3.386549 5.815462 6.923310 7.341062 8.146693 6.886921 10.434909 4.701962 3.742131 3.345384 2.403820 3.433420 6.040460 6.149850 6.096047 5.980773 0.000000 5.746899 5.319930 2.247550 2.700321 6.255936 6.447065 5.383629 5.097883 4.674416 5.917420 6.335193 5.198376 3.412444 2.147518 3.859902 1.078434 3.397399 2.151393 2.756825 4.213718 5.337884 5.019007 5.770279 7.523989 6.056879 4.648142 5.048925 5.998425 6.853723 6.736426 7.181124 5.450505 4.820678 4.943948 0.000000 7.569832 7.707717 6.251272 5.294836 9.833878 9.687889 5.713091 5.774472 4.669490 5.123694 7.140627 6.843145 3.411750 3.883954 2.152570 3.402678 1.083919 2.155839 6.258488 7.646771 8.400978 8.729292 8.228558 11.209590 6.717096 4.947919 5.281913 4.617929 5.877281 7.338314 7.895121 7.442620 6.839118 2.478168 4.296341 0.000000 2.136200 2.775279 3.152078 1.009332 4.522769 4.061074 2.630837 3.040148 2.337860 3.653193 4.198233 3.108915 2.507850 2.047953 3.894847 3.325513 4.698189 4.462839 2.030336 2.513628 2.774367 3.840555 2.660354 5.956956 2.781807 3.449764 2.343350 4.337230 4.328046 5.087502 4.591452 2.794344 3.526602 4.574419 3.686766 5.761290 0.000000 7.483761 7.196693 4.659873 4.600786 8.670174 8.780359 6.322677 6.092833 5.386030 6.307887 7.418215 6.668166 3.888226 3.394756 3.389378 2.140365 2.152606 1.084227 5.083230 6.566164 7.589006 7.435878 7.771139 9.954977 7.231539 5.311673 5.912981 6.036384 7.219798 7.629047 8.312106 7.174533 6.351126 4.288806 2.468036 2.489933 5.418485 0.000000 5.289333 5.237970 2.745125 4.175422 2.139967 3.255863 6.396096 5.806863 6.701490 7.761717 6.077598 4.614975 6.458092 5.295280 7.628475 5.590639 7.842630 6.921555 2.872492 2.229083 3.265958 1.077511 4.719342 2.848178 6.359848 6.113218 6.860245 8.219823 8.538091 6.566014 6.608511 4.195454 4.093873 8.535127 4.989109 8.871398 4.525173 7.375309 0.000000 2.013497 2.011143 5.631964 4.418517 3.813251 2.502866 5.183644 5.902501 5.230140 6.191719 6.423424 5.481080 5.974333 5.639532 7.309097 6.761677 8.207485 7.959635 4.503512 3.514771 2.147418 4.300761 1.090053 4.877226 4.470321 6.716827 4.561764 7.187519 6.299148 7.465991 6.246756 4.507358 6.066880 7.780132 6.845260 9.236224 3.707455 8.842754 5.376403 0.000000 5.749494 6.127163 6.012840 6.491518 2.093942 2.743572 7.620990 7.294636 8.306829 9.095817 7.037255 5.939350 8.664593 7.847241 10.010864 8.573743 10.593219 9.933159 5.565992 4.188651 3.903669 3.201418 5.075092 1.090816 7.079829 8.023945 8.230383 9.783855 9.566306 7.652537 7.044740 5.087159 5.880247 10.711873 8.196841 11.663558 6.286124 10.575710 3.566539 5.027040 0.000000 6.387493 6.381175 5.222017 6.308080 2.077764 3.306318 8.064090 7.576036 8.574085 9.523241 7.497009 6.209105 8.623185 7.581681 9.892249 8.033201 10.247246 9.389937 5.124944 3.960151 4.196240 2.637561 5.600676 1.088994 7.735567 8.105440 8.580688 10.109210 10.144305 8.009228 7.751678 5.537459 5.866938 10.722720 7.460678 11.297876 6.382588 9.877257 2.521122 5.805927 1.781513 0.000000 6.057429 5.777999 5.937691 6.615126 2.090407 2.704419 8.344769 8.167453 8.739822 9.749777 8.196651 6.930489 8.951713 7.986674 10.286796 8.575446 10.754459 9.966565 5.584102 4.203103 3.887419 3.225906 5.032220 1.090400 7.853587 8.817702 8.524838 10.484734 10.224537 8.881502 8.288749 6.064171 6.827411 11.068416 8.067991 11.830640 6.523778 10.526498 3.605534 4.947166 1.780530 1.781244 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9441,1.4998,1.7396;-1.4123,-.3401,2.8516;-.587,-2.3859,-1.17;.3835,-.817,.2002;-4.1425,-.3642,-.5461;-3.8535,.2918,.5905;1.6328,2.1941,.0082;1.4836,1.8851,-1.448;2.2394,1.1726,.9673;2.9962,2.4295,.6061;.8951,2.9166,-2.3806;.1077,1.6738,-2.0331;2.693,-.1732,.4911;1.7512,-1.1541,.105;4.0493,-.4943,.4344;2.1857,-2.4119,-.3314;4.4864,-1.7439,.0007;3.5473,-2.6971,-.3822;-.6755,-1.4161,-.4279;-2.0091,-.7985,-.1828;-2.566,.0399,.8215;-3.0751,-1.0331,-1.0351;-1.978,.6237,2.0565;-5.4861,-.2913,-1.0994;.818,2.7811,.4215;2.2718,1.2626,-1.8592;1.7944,1.1687,1.96;3.8452,2.3253,-.0604;3.1122,3.1953,1.3638;1.3083,3.0036,-3.3787;.5709,3.8566,-1.9476;-.7415,1.7848,-1.3677;-.0159,.9064,-2.7881;4.7714,.2554,.7373;1.4592,-3.1479,-.6374;5.5463,-1.9679,-.0359;.2017,.0767,.6326;3.8689,-3.6745,-.7239;-3.1135,-1.6295,-1.9317;-2.7167,1.1756,2.6378;-5.7201,.7392,-1.3698;-5.5327,-.9218,-1.9861;-6.2056,-.6448,-.3603; 0.3678550 0.1712969 0.1568448 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= 663 663 663 663 663 MxSgAt= 43 MxSgA2= 43. 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= 642 RedAO= T EigKep= 1.21D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 6.14D-07 NBFU= 639 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= 663 663 663 663 663 MxSgAt= 43 MxSgA2= 43. 1 -1.30627464e+00 9.71916550e-01 -4.77458666e-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 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.011712236 0.010048545 0.002295708 -0.006986507 -0.009969211 -0.008310951 -0.002460262 -0.014193369 0.009906147 0.000055438 0.003751582 -0.003890865 0.008222488 -0.002422478 0.009307315 0.011050054 0.010682783 -0.013132735 0.007067520 0.003759846 0.001777888 -0.005750005 -0.002717914 -0.001911551 0.000708727 -0.004212289 -0.006044810 -0.008245721 0.006536348 -0.001271295 -0.000918634 0.008436910 0.005513431 0.008618386 -0.005652917 0.001245545 -0.000476942 0.002165675 -0.001923811 -0.002290728 -0.000802116 0.000159958 -0.004036568 0.003618878 -0.001346692 0.002524732 -0.005195294 0.001575912 -0.005042963 -0.000740082 0.000111520 -0.001626062 -0.005107394 0.001854666 0.005511323 0.007151744 -0.004468425 -0.004524345 -0.000781886 -0.000371669 -0.010011397 -0.000471441 -0.005430091 -0.002872100 -0.006285663 0.010017853 0.013719941 0.001552399 0.002935779 0.007913988 0.000681301 0.003320598 0.000921635 -0.000224838 -0.000004398 -0.000233777 -0.000351600 -0.000464789 0.000668227 -0.000337330 -0.000138434 -0.000263216 -0.000535163 0.000557505 -0.000019288 0.000852003 -0.000812848 -0.000416494 -0.000010172 0.001251650 0.000233000 0.000813480 -0.000919926 0.000164127 -0.000055541 -0.000924615 0.000102342 -0.000819664 0.000841407 -0.000553594 0.000730884 -0.000223920 0.002111405 0.000458645 0.000164289 -0.001565709 -0.000287577 0.000080541 0.001464582 0.001981424 -0.001539907 -0.000502860 -0.001451454 0.000496414 -0.000439446 -0.000236834 -0.000160505 -0.000125404 -0.000122852 -0.000589936 -0.000760637 0.001126023 0.001834431 0.000217462 -0.002297194 0.000180009 0.000559517 0.000933801 -0.001546395 0.014193369 0.004583750 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1136.82207520875 -1136.82207607499 -0.000000866240 -1136.82207607093 0.000000004056 -1136.82207608609 -0.000000015154 -1136.82207608652 -0.000000000436 -1136.82207608675 -0.000000000233 -1136.82207608662 0.000000000135 -1136.82207608682 -0.000000000203 -1136.82207608667 0.000000000154 -1136.82207609 9 1.132256821088e+03 -6.930249593426e+03 2.523997613135e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245822358 LenY= 4245378136 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) PT335234.100S 2021-12-24T15:11:01.000 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.075553 -0.067423 -0.285428 0.088450 0.133412 -0.096742 0.238186 -0.182854 -1.053166 -0.606992 -0.314444 -0.371234 1.060695 0.297069 -0.220018 -0.032926 -0.452539 -0.381728 -0.242561 0.510922 -0.736378 0.043484 -0.055982 -0.293435 0.150120 0.160543 0.199175 0.141545 0.145255 0.143011 0.140149 0.167849 0.160954 0.121903 0.158868 0.119110 0.288189 0.122803 0.147164 0.194682 0.174148 0.171852 0.189867 -0.00000 -24.70658 -24.70203 -19.09489 -14.42739 -14.36416 -14.35209 -10.35781 -10.28962 -10.24063 -10.23580 -10.23293 -10.21846 -10.20358 -10.18408 -10.18304 -10.18287 -10.17806 -10.17297 -10.17041 -10.16937 -10.16907 -10.16812 -10.16717 -10.16506 -1.27102 -1.21322 -1.09097 -1.04889 -0.94763 -0.88668 -0.88130 -0.85326 -0.83766 -0.82447 -0.77190 -0.75324 -0.74742 -0.71162 -0.66317 -0.64409 -0.63877 -0.62384 -0.61249 -0.60069 -0.58573 -0.58286 -0.57212 -0.56424 -0.55919 -0.55639 -0.53192 -0.51558 -0.51099 -0.50536 -0.49800 -0.48957 -0.46885 -0.46112 -0.45382 -0.45132 -0.45082 -0.44290 -0.43674 -0.43124 -0.42715 -0.42324 -0.42096 -0.41763 -0.41636 -0.38717 -0.37999 -0.37136 -0.36726 -0.36126 -0.35485 -0.34326 -0.33803 -0.33637 -0.31406 -0.30968 -0.29295 -0.28470 -0.27942 -0.26878 -0.26439 -0.24286 -0.22143 -0.04456 -0.02957 -0.01154 -0.01018 0.00138 0.00652 0.01029 0.01657 0.01890 0.02231 0.02651 0.03137 0.03456 0.03675 0.04243 0.04745 0.05019 0.05229 0.05784 0.06020 0.06318 0.06891 0.07155 0.07749 0.07981 0.07992 0.08201 0.08573 0.09451 0.09716 0.10173 0.10625 0.10695 0.10883 0.11439 0.11829 0.12343 0.12592 0.12766 0.13127 0.13444 0.13728 0.13864 0.14405 0.14630 0.14918 0.15388 0.15575 0.15703 0.15873 0.16086 0.16374 0.16507 0.16858 0.17300 0.17414 0.17569 0.17936 0.18359 0.18455 0.18785 0.19038 0.19446 0.19593 0.19798 0.20100 0.20146 0.20382 0.20960 0.21033 0.21205 0.21322 0.21559 0.21850 0.22052 0.22475 0.22770 0.22953 0.23277 0.23418 0.23802 0.24145 0.24276 0.24686 0.24919 0.25268 0.25405 0.25903 0.26250 0.26632 0.26784 0.27059 0.27482 0.27797 0.27967 0.28575 0.28802 0.29114 0.29320 0.29522 0.29833 0.30560 0.30740 0.31084 0.31271 0.31551 0.31838 0.32344 0.32504 0.32800 0.33641 0.34057 0.34533 0.34767 0.35314 0.35425 0.35724 0.36363 0.36592 0.36776 0.37333 0.37662 0.38094 0.38428 0.38949 0.39220 0.39844 0.40133 0.40715 0.41464 0.41989 0.42781 0.43086 0.43655 0.44012 0.44853 0.45317 0.45802 0.46880 0.47368 0.47886 0.48168 0.49353 0.49582 0.50410 0.51429 0.52187 0.52627 0.53961 0.54468 0.54764 0.55388 0.55625 0.56057 0.56517 0.56613 0.57262 0.57562 0.59284 0.59417 0.59708 0.60139 0.60886 0.61358 0.61617 0.62324 0.63259 0.64053 0.64771 0.64960 0.65656 0.66208 0.66447 0.66865 0.67844 0.67977 0.68501 0.69096 0.69560 0.69731 0.70068 0.70228 0.70785 0.71063 0.71197 0.72165 0.72342 0.72792 0.73458 0.73982 0.74407 0.74774 0.75371 0.75446 0.75638 0.76773 0.77102 0.78380 0.78559 0.79493 0.80083 0.80550 0.81812 0.81962 0.82418 0.83225 0.83462 0.83913 0.84678 0.85857 0.86277 0.86871 0.88549 0.88792 0.89589 0.90074 0.91060 0.91520 0.92630 0.93410 0.94215 0.94411 0.96023 0.96799 0.97076 0.97466 0.98255 0.99438 1.00087 1.00678 1.01493 1.02863 1.03265 1.03694 1.05080 1.05408 1.06656 1.07269 1.08217 1.09738 1.10478 1.11218 1.12140 1.13068 1.14759 1.15133 1.15396 1.16050 1.19905 1.20374 1.20722 1.21866 1.23338 1.24614 1.25310 1.26648 1.28009 1.28894 1.29632 1.29885 1.30738 1.31447 1.32316 1.34697 1.36079 1.36482 1.38164 1.38731 1.39602 1.40355 1.41343 1.42188 1.43609 1.45269 1.46218 1.46702 1.48881 1.49298 1.49526 1.50266 1.51590 1.51992 1.52381 1.52767 1.53047 1.53357 1.53731 1.54738 1.55060 1.55618 1.56960 1.57863 1.58284 1.58975 1.59422 1.60116 1.60670 1.61235 1.61903 1.62451 1.63130 1.63870 1.64782 1.65278 1.65670 1.67156 1.67517 1.67867 1.68472 1.70122 1.70900 1.71756 1.72771 1.73162 1.74133 1.74981 1.75647 1.76509 1.77075 1.77970 1.78533 1.79661 1.80511 1.81657 1.82180 1.82743 1.83890 1.85087 1.85624 1.86298 1.87078 1.88185 1.88834 1.89584 1.90498 1.90875 1.92074 1.92686 1.92740 1.93680 1.94112 1.95423 1.96552 1.97420 1.98956 1.99403 1.99870 2.01018 2.01471 2.02650 2.04533 2.05107 2.05240 2.05527 2.06439 2.07396 2.07695 2.08774 2.09439 2.10438 2.13448 2.13945 2.14967 2.16321 2.16941 2.17842 2.18091 2.20372 2.21804 2.21925 2.22873 2.23599 2.25306 2.26422 2.28500 2.29832 2.32288 2.33157 2.34063 2.36566 2.37242 2.39027 2.39669 2.39960 2.42430 2.42807 2.44236 2.44773 2.45290 2.45841 2.46730 2.47598 2.48421 2.50175 2.50806 2.51511 2.52096 2.54966 2.56604 2.57822 2.59655 2.60776 2.62094 2.63935 2.64943 2.66188 2.66718 2.67880 2.68231 2.70766 2.71024 2.71264 2.73019 2.73186 2.75087 2.75545 2.76937 2.77129 2.77752 2.78605 2.79212 2.79969 2.80403 2.81980 2.82568 2.83515 2.85194 2.85933 2.86551 2.87164 2.87861 2.89318 2.90561 2.92075 2.92706 2.93242 2.93886 2.94201 2.95059 2.95729 2.97164 2.97570 2.98892 2.99527 3.01180 3.01696 3.02760 3.03743 3.04387 3.05852 3.07738 3.10084 3.11128 3.15951 3.17226 3.17721 3.20754 3.22014 3.25210 3.28000 3.31834 3.33453 3.36632 3.37127 3.40165 3.40678 3.43442 3.43906 3.47449 3.50407 3.51306 3.54903 3.57116 3.58155 3.59835 3.61634 3.62909 3.63937 3.67841 3.69073 3.70703 3.72418 3.75554 3.77542 3.78353 3.79766 3.80050 3.83073 3.84825 3.85317 3.88027 3.89764 3.95752 3.96992 4.00109 4.01401 4.02812 4.04812 4.06799 4.07493 4.10292 4.13861 4.14939 4.20551 4.22390 4.29391 4.35590 4.37730 4.43718 4.53812 4.60555 4.65066 4.77976 4.86024 4.89659 4.92092 4.97989 5.13545 5.14215 5.31289 5.42987 5.83156 6.37954 6.40261 6.41421 6.48562 6.59670 6.70212 23.62997 23.67420 23.76716 23.86795 23.89067 23.90052 23.90900 23.91475 23.93270 23.94660 23.97659 23.98044 24.00831 24.01254 24.07715 24.11016 24.11581 24.20251 35.50101 35.57281 35.66872 50.06256 66.76962 66.83064 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.079067 -0.075602 -0.290544 0.087833 0.046347 -0.049686 0.237648 -0.174776 -1.028875 -0.601307 -0.310677 -0.375928 1.035433 0.312687 -0.240391 -0.014726 -0.441484 -0.387549 -0.254951 0.735553 -0.880466 0.031010 -0.118651 -0.257613 0.153615 0.158526 0.199514 0.140162 0.145215 0.142693 0.140080 0.167921 0.163021 0.122331 0.160418 0.120497 0.275783 0.124270 0.149399 0.204009 0.187057 0.155966 0.185304 -0.00000 -1.45119691e+00 8.32591117e-01 -4.87034118e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.6886 2.1162 -1.2379 4.4290 -112.2699 -146.1272 -142.1702 2.8238 8.1327 2.6909 21.2525 -12.6048 -8.6478 2.8238 8.1327 2.6909 -152.2575 11.3039 17.8050 -2.4235 -25.3644 -43.0424 -35.0187 14.9698 17.2785 -2.7192 -5592.8869 -2372.3319 -1449.6805 90.1800 240.2578 -55.7564 42.4870 -31.4681 54.7038 -1444.4054 -1291.2628 -655.0530 72.3080 -22.3673 26.0235 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1136.8220761 1.683E-9 2.026E-6 15.8045385,-9.299907,-6.5046315,-2.5486063,5.8532315,-2.082029 C01 [X(C18H19F2N3O1)] 1.469462 0.8077698 0.4738905 -0.000003079 0.000004973 0.000001027 0.000000426 -0.000000091 -0.000000875 -0.000000363 -0.000002182 0.000000920 0.000000002 -0.000000181 -0.000001952 -0.000001704 0.000003057 -0.000003209 0.000003722 -0.000003908 0.000001942 0.000000018 0.000002237 -0.000007006 0.000000262 -0.000002143 0.000004201 -0.000001607 0.000001610 0.000005795 0.000004741 -0.000000086 -0.000000126 0.000001094 -0.000005030 0.000000618 -0.000003477 0.000005779 -0.000002742 0.000000304 -0.000001614 -0.000001677 0.000000648 -0.000000431 0.000001609 0.000000570 0.000002255 -0.000001216 -0.000000686 -0.000000264 0.000000464 -0.000000691 -0.000000549 0.000000183 -0.000000789 0.000000894 -0.000001294 -0.000000798 0.000001755 -0.000000294 0.000000105 -0.000004176 -0.000006123 -0.000002697 0.000003317 0.000001787 -0.000002321 0.000001510 0.000003187 0.000002078 -0.000004563 0.000000368 0.000003283 -0.000000105 0.000000420 0.000001299 -0.000000384 0.000002308 0.000000165 -0.000000515 -0.000000412 -0.000000130 0.000000702 -0.000000144 -0.000000338 0.000000414 0.000000931 -0.000002269 0.000001126 0.000001191 0.000000559 0.000001240 0.000000865 0.000000079 0.000000498 0.000001111 0.000001972 -0.000002852 0.000001569 0.000000835 -0.000001445 0.000000272 -0.000000148 0.000001018 0.000000340 -0.000000221 0.000000255 -0.000000888 -0.000000289 0.000000840 -0.000000552 0.000000294 0.000001442 0.000000266 -0.000000148 0.000000196 -0.000000441 0.000000432 -0.000001971 -0.000001766 -0.000000249 0.000000489 0.000000244 0.000000282 -0.000000890 0.000000080 -0.000000510 -0.000001243 -0.000000603 -0.000000656 -0.000000984 -0.000000380 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; Gaussian 16 GINC-BELVIS14 APULGAR Optimization sedaxane_cis/ CONF1 gas EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; Optimization sedaxane_cis/ CONF1 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 19 19 16 14 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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/sedaxane_cis/gas/CONF1/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 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.3917 1.3715 1.2244 1.4119 1.3692 1.0093 1.3438 1.3513 1.4548 1.3321 1.496 1.5269 1.5072 1.086 1.51 1.51 1.0853 1.5109 1.4978 1.088 1.0844 1.0835 1.5117 1.0838 1.0846 1.0845 1.0836 1.4136 1.395 1.4006 1.3931 1.0841 1.3921 1.0784 1.3918 1.0839 1.0842 1.49 1.4219 1.3848 1.4873 1.0775 1.0901 1.0908 1.089 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 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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 127.8695 114.5022 116.3983 112.2004 119.724 128.0755 105.1982 120.8521 120.568 114.0343 114.8798 116.3129 119.9291 119.795 114.5074 116.1599 115.768 121.4478 114.3949 121.3167 115.2126 114.251 116.7061 118.9915 117.3266 118.3235 114.4483 118.3679 117.5156 118.4487 117.7148 114.3309 117.4794 118.2271 117.6932 118.776 114.2496 120.565 120.9436 118.4862 117.4771 122.4077 120.1075 121.6172 118.4922 119.8905 119.9191 119.4939 120.5826 119.226 120.1782 120.5958 120.6421 119.0932 120.2647 124.6605 119.5154 115.8152 135.3292 121.1697 103.4774 111.5713 116.865 131.5374 107.5491 123.1531 129.2973 105.5451 110.5906 107.8291 111.6319 109.0417 111.9342 109.8582 108.676 109.5997 109.6266 109.4325 109.6331 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 20 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 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 40 160.6799 -20.3319 -6.0693 172.9189 1.6546 -177.247 168.1895 -10.7121 0.487 -179.4486 -0.6425 179.1106 179.2865 -0.9604 62.7653 -177.2972 -57.5057 -117.159 2.7785 122.57 -0.1453 -178.4943 -179.3105 110.1798 -34.0711 -108.5259 -179.0356 36.7135 37.2747 -33.235 -177.4859 -0.5821 -144.2887 142.5458 -1.1609 -2.2713 141.6715 -147.334 -3.3911 142.4707 -1.5503 -2.2202 -146.2411 1.7796 -141.7944 145.6013 2.0273 3.6131 -140.2604 148.4848 4.6113 -71.148 109.691 -142.2122 38.6269 72.6063 -106.5547 -144.5179 0.313 -0.0348 144.7961 -0.619 -179.6316 178.5622 -0.4504 179.6501 -0.3843 0.472 -179.5623 -178.8248 1.9313 0.1376 -179.1064 -0.1737 179.8794 179.8611 -0.0858 0.1698 -179.8882 179.4054 -0.6526 -0.1544 179.9043 179.7922 -0.1491 159.5188 -18.3876 -21.5194 160.5742 -178.3819 -0.3497 -0.2239 177.8083 178.988 -0.7449 0.5014 -179.2315 -118.6603 124.1485 1.5969 63.3912 -53.8001 -176.3517 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00018 0.00174 0.00258 0.00432 0.00649 0.00805 0.00844 0.00861 0.00952 0.01434 0.01470 0.01665 0.01694 0.01708 0.01714 0.01782 0.01809 0.01914 0.02060 0.02068 0.02191 0.02255 0.02445 0.02608 0.02690 0.02832 0.02906 0.02952 0.03170 0.03330 0.03356 0.03469 0.04530 0.04856 0.04989 0.05387 0.05802 0.05826 0.05996 0.06021 0.06066 0.06205 0.06904 0.07288 0.07554 0.08484 0.09821 0.10089 0.11072 0.11545 0.11770 0.12221 0.12457 0.13211 0.13683 0.14318 0.14861 0.15202 0.15746 0.15973 0.16674 0.17616 0.18023 0.18330 0.19162 0.19237 0.19347 0.19487 0.19862 0.20725 0.21856 0.21886 0.22649 0.22774 0.23070 0.24608 0.24880 0.25484 0.25825 0.25924 0.26584 0.28619 0.30572 0.31286 0.31662 0.32764 0.32886 0.33738 0.33842 0.34114 0.34238 0.34362 0.34702 0.34812 0.34883 0.34919 0.35059 0.35161 0.35178 0.35410 0.35464 0.35474 0.35572 0.35708 0.36123 0.36643 0.37223 0.37474 0.39217 0.39706 0.41786 0.42104 0.42999 0.44762 0.46082 0.46456 0.47351 0.48028 0.50050 0.53628 0.56040 0.77723 0.80876 Angle between quadratic step and forces= 78.47 degrees. 1 2 0.00014613 0.00000001 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 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 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 2.63002 2.59174 2.31376 2.66803 2.58738 1.90736 2.53950 2.55352 2.74925 2.51722 2.82712 2.88534 2.84827 2.05221 2.85345 2.85349 2.05094 2.85526 2.83047 2.05595 2.04915 2.04758 2.85676 2.04805 2.04951 2.04945 2.04767 2.67129 2.63609 2.64668 2.63249 2.04859 2.63063 2.03794 2.63011 2.04831 2.04889 2.81560 2.68698 2.61691 2.81056 2.03620 2.05990 2.06134 2.05790 2.06056 2.23174 1.99844 2.03153 1.95827 2.08958 2.23534 1.83606 2.10927 2.10431 1.99027 2.00503 2.03004 2.09316 2.09082 1.99853 2.02737 2.02053 2.11966 1.99657 2.11738 2.01084 1.99406 2.03690 2.07679 2.04773 2.06513 1.99750 2.06591 2.05103 2.06732 2.05451 1.99545 2.05040 2.06345 2.05413 2.07303 1.99403 2.10426 2.11086 2.06797 2.05036 2.13642 2.09627 2.12262 2.06808 2.09248 2.09298 2.08556 2.10456 2.08089 2.09750 2.10479 2.10560 2.07857 2.09902 2.17574 2.08594 2.02136 2.36194 2.11481 1.80602 1.94729 2.03968 2.29576 1.87709 2.14943 2.25666 1.84211 1.93017 1.88197 1.94834 1.90314 1.95362 1.91739 1.89675 1.91288 1.91335 1.90996 1.91346 2.80439 -0.35486 -0.10593 3.01800 0.02888 -3.09354 2.93546 -0.18696 0.00850 -3.13197 -0.01121 3.12607 3.12914 -0.01676 1.09546 -3.09442 -1.00366 -2.04481 0.04849 2.13925 -0.00254 -3.11531 -3.12956 1.92300 -0.59465 -1.89413 -3.12476 0.64077 0.65057 -0.58006 -3.09771 -0.01016 -2.51831 2.48789 -0.02026 -0.03964 2.47263 -2.57146 -0.05919 2.48658 -0.02706 -0.03875 -2.55239 0.03106 -2.47478 2.54122 0.03538 0.06306 -2.44801 2.59155 0.08048 -1.24177 1.91447 -2.48207 0.67417 1.26722 -1.85973 -2.52231 0.00546 -0.00061 2.52717 -0.01080 -3.13516 3.11650 -0.00786 3.13548 -0.00671 0.00824 -3.13395 -3.12108 0.03371 0.00240 -3.12600 -0.00303 3.13949 3.13917 -0.00150 0.00296 -3.13964 3.13121 -0.01139 -0.00270 3.13992 3.13797 -0.00260 2.78413 -0.32092 -0.37558 2.80255 -3.11335 -0.00610 -0.00391 3.10334 3.12393 -0.01300 0.00875 -3.12818 -2.07101 2.16680 0.02787 1.10638 -0.93899 -3.07792 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 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00003 -0.00001 0.00002 0.00003 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00004 -0.00001 0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00000 -0.00002 0.00003 -0.00001 0.00003 -0.00001 -0.00003 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 0.00000 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 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00007 0.00006 0.00006 0.00007 -0.00002 -0.00000 0.00003 -0.00008 -0.00001 -0.00005 0.00012 0.00008 -0.00030 -0.00031 -0.00030 -0.00043 -0.00044 -0.00044 -0.00004 0.00001 0.00008 0.00008 0.00008 0.00006 0.00007 0.00006 0.00007 0.00008 0.00007 -0.00003 -0.00004 -0.00003 -0.00004 -0.00001 -0.00001 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00001 -0.00005 -0.00002 -0.00004 -0.00002 0.00005 0.00007 0.00002 0.00004 0.00007 0.00006 0.00005 0.00005 0.00008 0.00007 0.00004 0.00003 0.00004 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00013 -0.00000 -0.00014 -0.00008 -0.00014 0.00004 -0.00002 0.00008 0.00013 -0.00002 0.00003 0.00004 0.00003 0.00003 0.00010 0.00009 0.00009 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00003 -0.00001 0.00002 0.00003 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00004 -0.00001 0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00000 -0.00002 0.00003 -0.00001 0.00003 -0.00001 -0.00003 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 0.00000 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 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00007 0.00006 0.00006 0.00007 -0.00002 -0.00000 0.00003 -0.00008 -0.00001 -0.00005 0.00012 0.00008 -0.00030 -0.00031 -0.00030 -0.00043 -0.00044 -0.00044 -0.00004 0.00001 0.00008 0.00008 0.00008 0.00006 0.00007 0.00006 0.00007 0.00008 0.00007 -0.00003 -0.00004 -0.00003 -0.00004 -0.00001 -0.00001 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 0.00001 -0.00005 -0.00002 -0.00004 -0.00002 0.00005 0.00007 0.00002 0.00004 0.00007 0.00006 0.00005 0.00005 0.00008 0.00007 0.00004 0.00003 0.00004 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00013 -0.00000 -0.00014 -0.00008 -0.00014 0.00004 -0.00002 0.00008 0.00013 -0.00002 0.00003 0.00004 0.00003 0.00003 0.00010 0.00009 0.00009 2.63004 2.59173 2.31376 2.66803 2.58738 1.90736 2.53949 2.55353 2.74926 2.51722 2.82714 2.88533 2.84827 2.05221 2.85345 2.85348 2.05094 2.85525 2.83047 2.05595 2.04916 2.04758 2.85675 2.04806 2.04951 2.04946 2.04767 2.67129 2.63609 2.64668 2.63249 2.04859 2.63063 2.03794 2.63011 2.04831 2.04889 2.81560 2.68697 2.61691 2.81055 2.03620 2.05990 2.06134 2.05790 2.06056 2.23174 1.99844 2.03153 1.95827 2.08958 2.23534 1.83606 2.10925 2.10428 1.99027 2.00505 2.03008 2.09315 2.09082 1.99853 2.02739 2.02054 2.11969 1.99656 2.11738 2.01083 1.99405 2.03689 2.07683 2.04772 2.06516 1.99748 2.06593 2.05102 2.06734 2.05451 1.99543 2.05044 2.06344 2.05417 2.07302 1.99400 2.10427 2.11085 2.06798 2.05036 2.13642 2.09627 2.12262 2.06808 2.09249 2.09298 2.08556 2.10457 2.08088 2.09750 2.10480 2.10560 2.07856 2.09902 2.17574 2.08594 2.02135 2.36194 2.11481 1.80602 1.94728 2.03968 2.29575 1.87708 2.14942 2.25667 1.84211 1.93018 1.88196 1.94834 1.90314 1.95362 1.91738 1.89675 1.91288 1.91335 1.90996 1.91346 2.80439 -0.35487 -0.10586 3.01807 0.02893 -3.09347 2.93545 -0.18696 0.00853 -3.13205 -0.01122 3.12602 3.12926 -0.01668 1.09516 -3.09473 -1.00397 -2.04524 0.04805 2.13881 -0.00258 -3.11530 -3.12948 1.92309 -0.59457 -1.89407 -3.12469 0.64083 0.65064 -0.57998 -3.09764 -0.01019 -2.51835 2.48786 -0.02030 -0.03965 2.47263 -2.57146 -0.05919 2.48656 -0.02706 -0.03876 -2.55238 0.03101 -2.47480 2.54118 0.03536 0.06311 -2.44794 2.59157 0.08052 -1.24170 1.91453 -2.48202 0.67421 1.26730 -1.85966 -2.52227 0.00549 -0.00057 2.52719 -0.01082 -3.13518 3.11649 -0.00787 3.13549 -0.00671 0.00824 -3.13396 -3.12107 0.03371 0.00241 -3.12599 -0.00302 3.13949 3.13919 -0.00148 0.00296 -3.13964 3.13122 -0.01138 -0.00270 3.13991 3.13796 -0.00261 2.78414 -0.32105 -0.37559 2.80241 -3.11344 -0.00625 -0.00387 3.10332 3.12401 -0.01288 0.00873 -3.12815 -2.07097 2.16683 0.02790 1.10649 -0.93890 -3.07783 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000001 0.000845 0.000146 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.416339e-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 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.3917 1.3715 1.2244 1.4119 1.3692 1.0093 1.3438 1.3513 1.4548 1.3321 1.496 1.5269 1.5072 1.086 1.51 1.51 1.0853 1.5109 1.4978 1.088 1.0844 1.0835 1.5117 1.0838 1.0846 1.0845 1.0836 1.4136 1.395 1.4006 1.3931 1.0841 1.3921 1.0784 1.3918 1.0839 1.0842 1.49 1.4219 1.3848 1.4873 1.0775 1.0901 1.0908 1.089 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 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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 127.8695 114.5022 116.3983 112.2004 119.724 128.0755 105.1982 120.8521 120.568 114.0343 114.8798 116.3129 119.9291 119.795 114.5074 116.1599 115.768 121.4478 114.3949 121.3167 115.2126 114.251 116.7061 118.9915 117.3266 118.3235 114.4483 118.3679 117.5156 118.4487 117.7148 114.3309 117.4794 118.2271 117.6932 118.776 114.2496 120.565 120.9436 118.4862 117.4771 122.4077 120.1075 121.6172 118.4922 119.8905 119.9191 119.4939 120.5826 119.226 120.1782 120.5958 120.6421 119.0932 120.2647 124.6605 119.5154 115.8152 135.3292 121.1697 103.4774 111.5713 116.865 131.5374 107.5491 123.1531 129.2973 105.5451 110.5906 107.8291 111.6319 109.0417 111.9342 109.8582 108.676 109.5997 109.6266 109.4325 109.6331 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 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 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 160.6799 -20.3319 -6.0693 172.9189 1.6546 -177.247 168.1895 -10.7121 0.487 -179.4486 -0.6425 179.1106 179.2865 -0.9604 62.7653 -177.2972 -57.5057 -117.159 2.7785 122.57 -0.1453 -178.4943 -179.3105 110.1798 -34.0711 -108.5259 -179.0356 36.7135 37.2747 -33.235 -177.4859 -0.5821 -144.2887 142.5458 -1.1609 -2.2713 141.6715 -147.334 -3.3911 142.4707 -1.5503 -2.2202 -146.2411 1.7796 -141.7944 145.6013 2.0273 3.6131 -140.2604 148.4848 4.6113 -71.148 109.691 -142.2122 38.6269 72.6063 -106.5547 -144.5179 0.313 -0.0348 144.7961 -0.619 -179.6316 178.5622 -0.4504 179.6501 -0.3843 0.472 -179.5623 -178.8248 1.9313 0.1376 -179.1064 -0.1737 179.8794 179.8611 -0.0858 0.1698 -179.8882 179.4054 -0.6526 -0.1544 179.9043 179.7922 -0.1491 159.5188 -18.3876 -21.5194 160.5742 -178.3819 -0.3497 -0.2239 177.8083 178.988 -0.7449 0.5014 -179.2315 -118.6603 124.1485 1.5969 63.3912 -53.8001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 666 A 642 A 642 1016 666 87 87 2137.2209566344 43 43 43 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 -0.0478735180 0.000000 2.200233 0.000000 4.867408 4.586875 0.000000 3.082158 3.237529 2.297948 0.000000 4.350708 4.358800 4.137396 4.609377 0.000000 3.353218 3.386922 4.576003 4.397013 1.343847 0.000000 3.181170 4.876376 5.224095 3.265648 6.340777 5.835804 0.000000 4.025239 5.641232 4.754498 3.350867 6.125787 5.931143 1.496050 0.000000 3.292176 4.378797 5.021880 2.826956 6.736553 6.167783 1.526855 2.629122 0.000000 4.204137 5.669858 6.259500 4.187019 7.751952 7.175495 1.507242 2.608344 1.510936 0.000000 4.729222 6.580676 5.637154 4.567515 6.285366 6.185948 2.602379 1.509982 4.007081 3.683997 0.000000 3.920363 5.497776 4.208068 3.356754 4.942485 4.948126 2.600632 1.510000 3.714496 3.984916 1.511732 0.000000 4.193562 4.738453 4.291137 2.415218 6.916395 6.563758 2.638383 3.075544 1.497822 2.622782 4.585339 4.057885 0.000000 4.120580 4.267712 2.934324 1.411861 5.981930 5.808520 3.351609 3.423398 2.528847 3.826606 4.845718 3.907570 1.413588 0.000000 5.532997 5.974561 5.258094 3.687490 8.251314 7.943357 3.639874 3.973359 2.517559 3.112436 5.432034 5.130816 1.394961 2.413531 0.000000 5.420913 5.231556 2.896866 2.464640 6.654741 6.680753 4.651488 4.494870 3.812907 4.997535 5.852993 4.889450 2.438451 1.400560 2.781519 0.000000 6.560149 6.700177 5.246171 4.211081 8.755618 8.605019 4.863215 4.927971 3.806431 4.472644 6.347263 5.915225 2.433924 2.800047 1.393053 2.418656 0.000000 6.502940 6.372571 4.220202 3.726087 8.037567 8.040637 5.266982 5.137199 4.301829 5.249975 6.522316 5.801784 2.804031 2.417506 2.402287 1.392069 1.391792 0.000000 3.643110 3.529213 1.224387 1.369180 3.625015 3.748870 4.307091 4.074244 4.140555 5.416487 5.005115 3.568873 3.706209 2.498264 4.890475 3.031072 5.190014 4.413046 0.000000 3.179959 3.126324 2.348739 2.423086 2.207274 2.277903 4.717537 4.582692 4.822658 6.007926 5.202526 3.743832 4.791144 3.788009 6.097365 4.496835 6.566513 5.875194 1.489954 0.000000 2.367468 2.365776 3.710395 3.133650 2.125761 1.332054 4.788707 4.995447 4.939315 6.057612 5.523385 4.238704 5.273718 4.536216 6.648165 5.469892 7.320701 6.805353 2.693506 1.421888 0.000000 4.319200 4.283829 2.835259 3.678878 1.351265 2.236986 5.802323 5.428428 6.092511 7.179365 5.759580 4.295721 6.028241 4.960586 7.294297 5.483811 7.665142 6.859387 2.504691 1.384808 2.203923 0.000000 1.391748 1.371489 4.626324 3.331338 3.526325 2.403516 4.438377 5.084794 4.390257 5.486969 5.761938 4.709294 4.990344 4.568947 6.341085 5.679208 7.184706 6.892266 3.468340 2.652996 1.487282 3.675149 0.000000 5.647771 5.675232 5.328493 6.034610 1.454838 2.420997 7.621121 7.309870 8.130033 9.069713 7.256116 6.001937 8.333114 7.387334 9.660075 7.996418 10.137576 9.375703 4.985750 3.631336 3.510835 2.523327 4.806648 0.000000 2.546358 4.541070 5.586104 3.631063 5.952762 5.296001 1.085985 2.177372 2.214918 2.214109 2.806417 2.784890 3.499777 4.056685 4.601113 5.422686 5.840409 6.172998 4.535208 4.601231 4.373294 5.641446 3.891679 7.175913 0.000000 4.832109 6.191285 4.686000 3.483075 6.746397 6.668057 2.182455 1.085313 2.828028 2.822028 2.214267 2.209725 2.786100 3.157383 3.392094 3.980360 4.171588 4.414401 4.232022 5.038294 5.664414 5.876969 5.813914 7.948373 3.101805 0.000000 2.767221 3.654312 5.301228 3.005118 6.623979 5.877326 2.210687 3.496313 1.087959 2.206142 4.764930 4.364028 2.183064 2.972868 3.190260 4.269037 4.423682 4.847955 4.299208 4.788340 4.645832 6.126200 3.812744 8.030975 2.433188 3.850041 0.000000 5.182491 6.574515 6.562770 4.682467 8.442264 7.989240 2.217356 2.774212 2.227787 1.084365 3.799456 4.276065 2.806003 4.064195 2.869903 5.026757 4.119808 5.041431 5.879508 6.636669 6.863238 7.753623 6.425388 9.746685 3.099035 2.615402 3.102471 0.000000 4.412449 5.931603 7.159188 4.989908 8.303537 7.586128 2.242526 3.503591 2.238404 1.083531 4.360447 4.783394 3.504851 4.727995 3.918579 5.930729 5.304921 6.161007 6.230689 6.676127 6.518695 7.868736 5.744852 9.599704 2.514570 3.850859 2.489872 1.822756 0.000000 5.790661 7.576197 6.125122 5.316202 7.005498 7.053591 3.497409 2.238243 4.807008 4.365451 1.083784 2.240734 5.194711 5.442349 5.855645 6.275705 6.637775 6.818408 5.672434 5.972883 6.437072 6.403305 6.782765 7.887684 3.838179 2.503775 5.666168 4.231703 5.077603 0.000000 4.630847 6.676609 6.396350 5.146946 6.480368 6.222935 2.777855 2.229228 4.299304 3.799932 1.084551 2.233069 5.166156 5.541902 6.058308 6.671867 7.105781 7.366121 5.627043 5.607210 5.663494 6.167274 5.742951 7.389967 2.613454 3.103208 4.898050 4.077640 4.226159 1.821921 0.000000 3.126858 4.771492 4.178173 3.239354 4.106051 3.968369 2.774471 2.228810 3.835724 4.275700 2.232803 1.084525 4.368584 4.125433 5.603007 5.220623 6.454088 6.281104 3.336602 3.111926 3.341535 3.673798 3.821289 5.185840 2.574062 3.097503 4.228936 4.799873 4.929673 3.119564 2.520143 0.000000 4.659755 5.942167 3.712575 3.472718 4.865162 5.149780 3.492151 2.236511 4.388596 4.786695 2.244231 1.083578 4.388220 3.967124 5.373261 4.679050 5.922157 5.609785 3.376299 3.696900 4.503672 4.024135 5.234511 5.848869 3.809356 2.494650 5.088240 4.935689 5.679953 2.549644 3.123182 1.820892 0.000000 5.934616 6.562186 6.271074 4.548905 9.027085 8.626204 3.760433 4.270907 2.702738 2.809853 5.641651 5.606834 2.136328 3.392328 1.084065 3.865570 2.149640 3.386549 5.815462 6.923310 7.341062 8.146693 6.886921 10.434909 4.701962 3.742131 3.345384 2.403820 3.433420 6.040460 6.149850 6.096047 5.980773 0.000000 5.746899 5.319930 2.247550 2.700321 6.255936 6.447065 5.383629 5.097883 4.674416 5.917420 6.335193 5.198376 3.412444 2.147518 3.859902 1.078434 3.397399 2.151393 2.756825 4.213718 5.337884 5.019007 5.770279 7.523989 6.056879 4.648142 5.048925 5.998425 6.853723 6.736426 7.181124 5.450505 4.820678 4.943948 0.000000 7.569832 7.707717 6.251272 5.294836 9.833878 9.687889 5.713091 5.774472 4.669490 5.123694 7.140627 6.843145 3.411750 3.883954 2.152570 3.402678 1.083919 2.155839 6.258488 7.646771 8.400978 8.729292 8.228558 11.209590 6.717096 4.947919 5.281913 4.617929 5.877281 7.338314 7.895121 7.442620 6.839118 2.478168 4.296341 0.000000 2.136200 2.775279 3.152078 1.009332 4.522769 4.061074 2.630837 3.040148 2.337860 3.653193 4.198233 3.108915 2.507850 2.047953 3.894847 3.325513 4.698189 4.462839 2.030336 2.513628 2.774367 3.840555 2.660354 5.956956 2.781807 3.449764 2.343350 4.337230 4.328046 5.087502 4.591452 2.794344 3.526602 4.574419 3.686766 5.761290 0.000000 7.483761 7.196693 4.659873 4.600786 8.670174 8.780359 6.322677 6.092833 5.386030 6.307887 7.418215 6.668166 3.888226 3.394756 3.389378 2.140365 2.152606 1.084227 5.083230 6.566164 7.589006 7.435878 7.771139 9.954977 7.231539 5.311673 5.912981 6.036384 7.219798 7.629047 8.312106 7.174533 6.351126 4.288806 2.468036 2.489933 5.418485 0.000000 5.289333 5.237970 2.745125 4.175422 2.139967 3.255863 6.396096 5.806863 6.701490 7.761717 6.077598 4.614975 6.458092 5.295280 7.628475 5.590639 7.842630 6.921555 2.872492 2.229083 3.265958 1.077511 4.719342 2.848178 6.359848 6.113218 6.860245 8.219823 8.538091 6.566014 6.608511 4.195454 4.093873 8.535127 4.989109 8.871398 4.525173 7.375309 0.000000 2.013497 2.011143 5.631964 4.418517 3.813251 2.502866 5.183644 5.902501 5.230140 6.191719 6.423424 5.481080 5.974333 5.639532 7.309097 6.761677 8.207485 7.959635 4.503512 3.514771 2.147418 4.300761 1.090053 4.877226 4.470321 6.716827 4.561764 7.187519 6.299148 7.465991 6.246756 4.507358 6.066880 7.780132 6.845260 9.236224 3.707455 8.842754 5.376403 0.000000 5.749494 6.127163 6.012840 6.491518 2.093942 2.743572 7.620990 7.294636 8.306829 9.095817 7.037255 5.939350 8.664593 7.847241 10.010864 8.573743 10.593219 9.933159 5.565992 4.188651 3.903669 3.201418 5.075092 1.090816 7.079829 8.023945 8.230383 9.783855 9.566306 7.652537 7.044740 5.087159 5.880247 10.711873 8.196841 11.663558 6.286124 10.575710 3.566539 5.027040 0.000000 6.387493 6.381175 5.222017 6.308080 2.077764 3.306318 8.064090 7.576036 8.574085 9.523241 7.497009 6.209105 8.623185 7.581681 9.892249 8.033201 10.247246 9.389937 5.124944 3.960151 4.196240 2.637561 5.600676 1.088994 7.735567 8.105440 8.580688 10.109210 10.144305 8.009228 7.751678 5.537459 5.866938 10.722720 7.460678 11.297876 6.382588 9.877257 2.521122 5.805927 1.781513 0.000000 6.057429 5.777999 5.937691 6.615126 2.090407 2.704419 8.344769 8.167453 8.739822 9.749777 8.196651 6.930489 8.951713 7.986674 10.286796 8.575446 10.754459 9.966565 5.584102 4.203103 3.887419 3.225906 5.032220 1.090400 7.853587 8.817702 8.524838 10.484734 10.224537 8.881502 8.288749 6.064171 6.827411 11.068416 8.067991 11.830640 6.523778 10.526498 3.605534 4.947166 1.780530 1.781244 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9441,1.4998,1.7396;-1.4123,-.3401,2.8516;-.587,-2.3859,-1.17;.3835,-.817,.2002;-4.1425,-.3642,-.5461;-3.8535,.2918,.5905;1.6328,2.1941,.0082;1.4836,1.8851,-1.448;2.2394,1.1726,.9673;2.9962,2.4295,.6061;.8951,2.9166,-2.3806;.1077,1.6738,-2.0331;2.693,-.1732,.4911;1.7512,-1.1541,.105;4.0493,-.4943,.4344;2.1857,-2.4119,-.3314;4.4864,-1.7439,.0007;3.5473,-2.6971,-.3822;-.6755,-1.4161,-.4279;-2.0091,-.7985,-.1828;-2.566,.0399,.8215;-3.0751,-1.0331,-1.0351;-1.978,.6237,2.0565;-5.4861,-.2913,-1.0994;.818,2.7811,.4215;2.2718,1.2626,-1.8592;1.7944,1.1687,1.96;3.8452,2.3253,-.0604;3.1122,3.1953,1.3638;1.3083,3.0036,-3.3787;.5709,3.8566,-1.9476;-.7415,1.7848,-1.3677;-.0159,.9064,-2.7881;4.7714,.2554,.7373;1.4592,-3.1479,-.6374;5.5463,-1.9679,-.0359;.2017,.0767,.6326;3.8689,-3.6745,-.7239;-3.1135,-1.6295,-1.9317;-2.7167,1.1756,2.6378;-5.7201,.7392,-1.3698;-5.5327,-.9218,-1.9861;-6.2056,-.6448,-.3603; 0.3678550 0.1712969 0.1568448 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= 642 RedAO= T EigKep= 1.21D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 6.14D-07 NBFU= 639 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= 663 663 663 663 663 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.82207608651 -1136.82207609 1 1.132256821292e+03 -6.930249593827e+03 2.523997613333e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245822358 LenY= 4245378136 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= 43. Will process 44 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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. 13333 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 800000000 NMat= 129 IRICut= 322 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= 129 NMatS0= 129 NMatT0= 0 NMatD0= 129 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.39% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 4.80D-14 1.00D-09 XBig12= 3.20D+02 9.53D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 4.80D-14 1.00D-09 XBig12= 6.58D+01 1.42D+00. 129 vectors produced by pass 2 Test12= 4.80D-14 1.00D-09 XBig12= 6.85D-01 1.21D-01. 129 vectors produced by pass 3 Test12= 4.80D-14 1.00D-09 XBig12= 3.85D-03 8.16D-03. 129 vectors produced by pass 4 Test12= 4.80D-14 1.00D-09 XBig12= 1.06D-05 2.45D-04. 119 vectors produced by pass 5 Test12= 4.80D-14 1.00D-09 XBig12= 1.55D-08 7.63D-06. 43 vectors produced by pass 6 Test12= 4.80D-14 1.00D-09 XBig12= 1.92D-11 2.30D-07. 3 vectors produced by pass 7 Test12= 4.80D-14 1.00D-09 XBig12= 2.26D-14 1.51D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 810 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 236.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 305.623 -12.537 220.364 19.551 17.382 182.369 422.402 -12.283 343.384 25.539 48.900 291.183 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT118940.400S 2021-12-24T16:33:44.000 -24.70658 -24.70203 -19.09489 -14.42739 -14.36416 -14.35209 -10.35781 -10.28962 -10.24063 -10.23580 -10.23293 -10.21846 -10.20358 -10.18408 -10.18304 -10.18287 -10.17806 -10.17297 -10.17041 -10.16937 -10.16907 -10.16812 -10.16717 -10.16506 -1.27102 -1.21322 -1.09097 -1.04889 -0.94763 -0.88668 -0.88130 -0.85326 -0.83766 -0.82447 -0.77190 -0.75324 -0.74742 -0.71162 -0.66317 -0.64409 -0.63877 -0.62384 -0.61249 -0.60069 -0.58573 -0.58286 -0.57212 -0.56424 -0.55919 -0.55639 -0.53192 -0.51558 -0.51099 -0.50536 -0.49800 -0.48957 -0.46885 -0.46112 -0.45382 -0.45132 -0.45082 -0.44290 -0.43674 -0.43124 -0.42715 -0.42324 -0.42096 -0.41763 -0.41636 -0.38717 -0.37999 -0.37136 -0.36726 -0.36126 -0.35485 -0.34326 -0.33803 -0.33637 -0.31406 -0.30968 -0.29295 -0.28470 -0.27942 -0.26878 -0.26439 -0.24286 -0.22143 -0.04456 -0.02957 -0.01154 -0.01018 0.00138 0.00652 0.01029 0.01657 0.01890 0.02231 0.02651 0.03137 0.03456 0.03675 0.04243 0.04745 0.05019 0.05229 0.05784 0.06020 0.06318 0.06891 0.07155 0.07749 0.07981 0.07992 0.08201 0.08573 0.09451 0.09716 0.10173 0.10625 0.10695 0.10883 0.11439 0.11829 0.12343 0.12592 0.12766 0.13127 0.13444 0.13728 0.13864 0.14405 0.14630 0.14918 0.15388 0.15575 0.15703 0.15873 0.16086 0.16374 0.16507 0.16858 0.17300 0.17414 0.17569 0.17936 0.18359 0.18455 0.18785 0.19038 0.19446 0.19593 0.19798 0.20100 0.20146 0.20382 0.20960 0.21033 0.21205 0.21322 0.21559 0.21850 0.22052 0.22475 0.22770 0.22953 0.23277 0.23418 0.23802 0.24145 0.24276 0.24686 0.24919 0.25268 0.25405 0.25903 0.26250 0.26632 0.26784 0.27059 0.27482 0.27797 0.27967 0.28575 0.28802 0.29114 0.29320 0.29522 0.29833 0.30560 0.30740 0.31084 0.31271 0.31551 0.31838 0.32344 0.32504 0.32800 0.33641 0.34057 0.34533 0.34767 0.35314 0.35425 0.35724 0.36363 0.36592 0.36776 0.37333 0.37662 0.38094 0.38428 0.38949 0.39220 0.39844 0.40133 0.40715 0.41464 0.41989 0.42781 0.43086 0.43655 0.44012 0.44853 0.45317 0.45802 0.46880 0.47368 0.47886 0.48168 0.49353 0.49582 0.50410 0.51429 0.52187 0.52627 0.53961 0.54468 0.54764 0.55388 0.55625 0.56057 0.56517 0.56613 0.57262 0.57562 0.59284 0.59417 0.59708 0.60139 0.60886 0.61358 0.61617 0.62324 0.63259 0.64053 0.64771 0.64960 0.65656 0.66208 0.66447 0.66865 0.67844 0.67977 0.68501 0.69096 0.69560 0.69731 0.70068 0.70228 0.70785 0.71063 0.71197 0.72165 0.72342 0.72792 0.73458 0.73982 0.74407 0.74774 0.75371 0.75446 0.75638 0.76773 0.77102 0.78380 0.78559 0.79493 0.80083 0.80550 0.81812 0.81962 0.82418 0.83225 0.83462 0.83913 0.84678 0.85857 0.86277 0.86871 0.88549 0.88792 0.89589 0.90074 0.91060 0.91520 0.92630 0.93410 0.94215 0.94411 0.96023 0.96799 0.97076 0.97466 0.98255 0.99438 1.00087 1.00678 1.01493 1.02863 1.03265 1.03694 1.05080 1.05408 1.06656 1.07269 1.08217 1.09738 1.10478 1.11218 1.12140 1.13068 1.14759 1.15133 1.15396 1.16050 1.19905 1.20374 1.20722 1.21866 1.23338 1.24614 1.25310 1.26648 1.28009 1.28894 1.29632 1.29885 1.30738 1.31447 1.32316 1.34697 1.36079 1.36482 1.38164 1.38731 1.39602 1.40355 1.41343 1.42188 1.43609 1.45269 1.46218 1.46702 1.48881 1.49298 1.49526 1.50266 1.51590 1.51992 1.52381 1.52767 1.53047 1.53357 1.53731 1.54738 1.55060 1.55618 1.56960 1.57863 1.58284 1.58975 1.59422 1.60116 1.60670 1.61235 1.61903 1.62451 1.63130 1.63870 1.64782 1.65278 1.65670 1.67156 1.67517 1.67867 1.68472 1.70122 1.70900 1.71756 1.72771 1.73162 1.74133 1.74981 1.75647 1.76509 1.77075 1.77970 1.78533 1.79661 1.80511 1.81657 1.82180 1.82743 1.83890 1.85087 1.85624 1.86298 1.87078 1.88185 1.88834 1.89584 1.90498 1.90875 1.92074 1.92686 1.92740 1.93680 1.94112 1.95423 1.96552 1.97420 1.98956 1.99403 1.99870 2.01018 2.01471 2.02650 2.04533 2.05107 2.05240 2.05527 2.06439 2.07396 2.07695 2.08774 2.09439 2.10438 2.13448 2.13945 2.14967 2.16321 2.16941 2.17842 2.18091 2.20372 2.21804 2.21925 2.22873 2.23599 2.25306 2.26422 2.28500 2.29832 2.32288 2.33157 2.34063 2.36566 2.37242 2.39027 2.39669 2.39960 2.42430 2.42807 2.44236 2.44773 2.45290 2.45841 2.46730 2.47598 2.48421 2.50175 2.50806 2.51511 2.52096 2.54966 2.56604 2.57822 2.59655 2.60776 2.62094 2.63935 2.64943 2.66188 2.66718 2.67880 2.68231 2.70766 2.71024 2.71264 2.73019 2.73186 2.75087 2.75545 2.76937 2.77129 2.77752 2.78605 2.79212 2.79969 2.80403 2.81980 2.82568 2.83515 2.85194 2.85933 2.86551 2.87164 2.87861 2.89318 2.90561 2.92075 2.92706 2.93242 2.93886 2.94201 2.95059 2.95729 2.97164 2.97570 2.98892 2.99527 3.01180 3.01696 3.02760 3.03743 3.04387 3.05852 3.07738 3.10084 3.11128 3.15951 3.17226 3.17721 3.20754 3.22014 3.25210 3.28000 3.31834 3.33453 3.36632 3.37127 3.40165 3.40678 3.43442 3.43906 3.47449 3.50407 3.51306 3.54903 3.57116 3.58155 3.59835 3.61634 3.62909 3.63937 3.67841 3.69073 3.70703 3.72418 3.75554 3.77542 3.78353 3.79766 3.80050 3.83073 3.84825 3.85317 3.88027 3.89764 3.95752 3.96992 4.00109 4.01401 4.02812 4.04812 4.06799 4.07493 4.10292 4.13861 4.14939 4.20551 4.22390 4.29391 4.35590 4.37730 4.43718 4.53812 4.60555 4.65066 4.77976 4.86024 4.89659 4.92092 4.97989 5.13545 5.14215 5.31289 5.42987 5.83156 6.37954 6.40261 6.41421 6.48562 6.59670 6.70212 23.62997 23.67420 23.76716 23.86795 23.89067 23.90052 23.90900 23.91475 23.93270 23.94660 23.97659 23.98044 24.00831 24.01254 24.07715 24.11016 24.11581 24.20251 35.50101 35.57281 35.66872 50.06256 66.76962 66.83064 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.079067 -0.075602 -0.290544 0.087833 0.046347 -0.049686 0.237648 -0.174776 -1.028875 -0.601307 -0.310677 -0.375928 1.035433 0.312687 -0.240391 -0.014726 -0.441484 -0.387548 -0.254951 0.735553 -0.880466 0.031010 -0.118651 -0.257613 0.153615 0.158526 0.199514 0.140162 0.145215 0.142693 0.140080 0.167921 0.163021 0.122331 0.160417 0.120497 0.275783 0.124270 0.149399 0.204009 0.187057 0.155966 0.185304 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 F F O N N N C C C C C C C C C C C C C C C C C C -0.079067 -0.075602 -0.290544 0.363616 0.046347 -0.049686 0.391264 -0.016249 -0.829362 -0.315930 -0.027904 -0.044986 1.035433 0.312687 -0.118060 0.145691 -0.320987 -0.263278 -0.254951 0.735553 -0.880466 0.180409 0.085358 0.270714 -0.00000 -1.45119670e+00 8.32591301e-01 -4.87033502e-01 3.05622725e+02 -1.25365555e+01 2.20363937e+02 1.95505477e+01 1.73824519e+01 1.82368554e+02 -3.2983 -1.7118 -0.0009 -0.0007 -0.0002 2.7837 17.2074 30.1355 36.4265 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.2062 30.1333 36.4214 46.8202 50.9253 54.1829 76.5464 82.7142 95.1345 117.9415 125.0051 161.1211 173.4060 187.2349 207.1165 219.7372 244.1584 261.6087 277.3148 314.7034 323.7957 359.6507 397.0904 417.8357 439.9957 457.8880 476.4140 516.0152 534.7651 540.8138 573.8664 599.4233 613.1274 625.5487 632.4216 713.9009 719.2604 742.9072 748.6005 763.8432 771.2405 775.1831 806.1868 813.2878 829.2802 841.4962 856.5536 865.5033 886.1738 897.2757 908.5894 909.7416 959.9104 965.8592 989.3897 994.7410 996.1728 1016.3069 1034.7780 1049.2472 1065.0954 1069.3855 1070.3699 1077.1592 1087.0231 1097.2245 1120.9849 1124.5066 1136.9187 1146.4433 1150.9612 1191.6509 1192.0346 1192.8447 1197.0674 1217.9385 1223.6742 1248.4238 1261.6900 1283.1959 1317.4469 1322.2518 1328.7092 1338.8009 1350.0114 1357.3614 1387.6409 1418.8667 1450.8171 1454.3667 1468.3245 1474.4606 1478.6794 1480.6578 1494.3008 1499.7769 1510.1736 1514.3619 1524.4255 1569.3560 1575.9032 1624.8364 1649.9330 1716.1026 3052.6289 3102.0998 3110.8638 3115.5941 3115.6873 3120.0226 3123.3705 3131.1135 3142.1284 3147.5422 3161.6482 3172.9761 3186.7821 3189.1644 3200.1303 3204.6532 3242.8037 3267.4496 3607.9240 5.8423 5.3801 4.7315 5.2928 1.2105 5.2310 5.1890 2.8711 4.8003 5.1962 5.1912 5.1651 4.6838 4.1309 4.9973 3.9056 4.3692 3.8037 3.5225 3.7712 4.5444 7.9166 4.5978 5.1112 6.0511 3.2929 4.0413 4.2529 4.1145 3.6283 5.4145 3.4687 1.7556 3.5692 4.1539 4.6555 8.6131 3.3468 1.6521 3.0105 2.3770 1.9492 5.0503 1.1902 1.5065 1.7584 1.8182 2.1559 1.6037 4.6857 3.4594 3.6157 2.6491 1.3642 7.9539 2.2924 1.3028 1.4900 6.7053 1.3305 1.7271 1.5061 2.0329 1.6032 2.3680 1.6318 1.5963 1.4666 1.1331 1.3247 1.9849 1.8345 2.1207 1.4295 1.2264 2.0362 1.8916 2.5167 2.0705 2.4374 1.7408 3.1880 1.3472 4.0207 1.2299 1.8974 1.8794 3.3593 1.8283 1.4345 1.0879 1.8325 1.0422 2.3840 1.3292 2.7040 4.0139 1.5534 1.3715 3.0781 3.4995 4.3829 4.3251 7.2357 1.0321 1.0862 1.0504 1.0565 1.0566 1.0897 1.1061 1.0886 1.0895 1.1050 1.0858 1.0907 1.0967 1.1196 1.1171 1.1156 1.0924 1.0993 1.0770 0.0010 0.0029 0.0037 0.0068 0.0018 0.0090 0.0179 0.0116 0.0256 0.0426 0.0478 0.0790 0.0830 0.0853 0.1263 0.1111 0.1535 0.1534 0.1596 0.2201 0.2807 0.6033 0.4271 0.5258 0.6902 0.4068 0.5404 0.6672 0.6933 0.6252 1.0506 0.7343 0.3888 0.8229 0.9789 1.3979 2.6253 1.0883 0.5455 1.0349 0.8330 0.6901 1.9339 0.4638 0.6104 0.7336 0.7859 0.9515 0.7420 2.2227 1.6826 1.7631 1.4382 0.7498 4.5874 1.3365 0.7617 0.9067 4.2302 0.8631 1.1544 1.0148 1.3722 1.0960 1.6486 1.1575 1.1818 1.0926 0.8629 1.0258 1.5492 1.5349 1.7755 1.1984 1.0355 1.7796 1.6689 2.3111 1.9419 2.3646 1.7802 3.2839 1.4014 4.2461 1.3206 2.0597 2.1322 3.9845 2.2674 1.7877 1.3819 2.3473 1.3426 3.0794 1.7487 3.5836 5.3935 2.0990 1.8778 4.4666 5.1205 6.8175 6.9371 12.5550 5.6665 6.1586 5.9894 6.0423 6.0430 6.2500 6.3576 6.2881 6.3377 6.4497 6.3946 6.4696 6.5622 6.7090 6.7405 6.7504 6.7684 6.9151 8.2603 0.9190 1.0353 3.0163 0.2956 0.1317 1.0504 0.7397 0.0039 1.5910 1.2663 1.9918 4.2736 0.5413 0.5089 1.1125 6.0544 8.6237 3.2959 1.3426 0.4578 1.5748 16.8220 0.5102 1.6235 2.3063 3.5446 1.8497 12.7369 5.9910 2.3607 1.8676 11.0306 40.5161 5.9867 7.2366 3.9724 1.6765 11.5206 0.2940 9.7380 50.1212 17.6113 69.1935 0.7473 3.6765 31.2973 11.1010 3.9846 1.5285 9.6930 22.6033 9.9648 1.3643 1.9620 202.6057 2.4096 1.3959 0.3310 44.4255 8.5286 16.0448 8.7882 11.2206 2.2090 41.2831 6.3662 21.4672 16.6429 1.1741 0.0672 31.5493 20.3738 103.0498 7.5066 2.0366 0.3910 2.6631 0.5429 29.6917 100.1907 13.3495 13.0023 3.9583 159.8756 13.0094 8.6141 8.2920 11.4591 19.9366 2.0704 2.2765 11.5648 10.2292 92.3093 0.2469 21.5551 52.3622 5.0745 9.7780 60.5328 375.1410 120.9613 28.0191 215.2846 37.0843 5.7577 26.4121 18.7744 5.5885 17.1537 7.7124 2.8935 9.0934 4.9363 0.0696 17.3675 24.3372 0.7970 10.4483 19.5945 2.6082 3.2945 71.8391 0.05 -0.13 0.18 -0.10 -0.16 0.06 0.04 0.03 -0.00 0.02 -0.02 0.07 0.07 0.13 -0.06 0.04 0.06 -0.02 -0.06 -0.01 -0.07 -0.11 -0.07 -0.06 0.00 0.04 -0.05 -0.04 0.04 -0.14 -0.13 -0.11 -0.08 -0.13 -0.09 -0.01 0.01 0.03 -0.01 0.02 0.00 0.05 0.02 0.05 -0.04 0.03 -0.01 0.09 0.02 0.04 0.00 0.03 0.01 0.06 0.03 0.01 0.03 0.03 0.03 0.01 0.02 -0.00 0.02 0.06 0.11 -0.05 -0.01 -0.09 0.08 0.09 0.21 -0.12 -0.06 -0.02 -0.06 -0.12 -0.09 -0.05 0.04 0.07 -0.04 -0.07 0.03 -0.17 -0.03 0.08 -0.17 -0.16 -0.15 -0.10 -0.11 -0.09 -0.11 -0.11 -0.06 0.01 -0.15 -0.12 0.03 0.01 0.07 -0.09 0.03 -0.03 0.14 0.03 0.05 -0.02 0.01 -0.03 0.08 0.04 0.00 0.09 0.08 0.16 -0.08 -0.01 -0.09 0.07 0.16 0.23 -0.09 0.11 0.25 -0.15 0.04 0.22 -0.17 0.02 0.05 -0.07 -0.05 0.12 0.01 -0.01 -0.15 0.17 0.03 -0.05 0.03 0.05 0.01 -0.07 0.03 0.06 -0.10 -0.01 -0.02 0.07 -0.12 0.03 0.08 0.05 -0.04 0.01 0.03 -0.04 -0.01 -0.17 0.07 0.15 -0.17 0.08 0.17 0.03 -0.03 -0.03 0.03 -0.04 -0.00 0.03 -0.02 -0.09 0.03 -0.04 -0.01 0.03 -0.01 -0.11 0.03 -0.02 -0.07 0.01 -0.09 0.09 0.02 -0.04 0.03 0.02 0.04 -0.04 0.04 -0.06 0.01 -0.01 0.09 -0.06 0.08 0.03 -0.13 0.02 -0.02 0.15 -0.16 0.02 -0.00 0.11 -0.06 0.04 -0.01 -0.03 -0.07 0.08 -0.05 -0.00 -0.24 0.09 0.12 -0.11 0.06 0.21 -0.12 0.08 0.24 -0.24 0.11 0.16 0.04 -0.01 -0.12 0.02 -0.05 0.02 0.03 0.00 -0.15 0.04 -0.02 -0.02 0.02 -0.02 -0.07 0.05 -0.11 0.04 -0.01 0.13 -0.11 0.15 0.02 -0.26 0.07 -0.07 -0.06 0.02 0.17 -0.12 0.02 -0.04 0.04 -0.03 -0.05 0.02 -0.07 -0.20 0.21 -0.02 -0.01 -0.04 -0.00 0.04 0.00 0.01 0.04 -0.01 -0.03 0.02 -0.01 0.11 0.05 -0.03 -0.08 -0.00 0.01 -0.08 0.03 0.11 0.09 0.02 -0.05 0.17 -0.06 -0.14 -0.04 0.02 -0.01 -0.01 0.01 -0.04 -0.03 0.06 -0.03 0.02 0.04 -0.08 0.00 0.08 -0.07 0.03 0.07 -0.10 -0.04 -0.10 0.08 -0.02 -0.04 0.04 -0.01 -0.00 0.02 -0.02 -0.02 0.03 -0.00 -0.03 0.03 0.02 0.12 -0.05 -0.08 -0.01 -0.06 0.19 0.13 0.02 -0.16 -0.04 -0.03 -0.02 0.08 0.18 -0.16 0.00 0.15 0.16 0.08 -0.01 -0.02 -0.02 -0.05 0.11 -0.15 -0.20 0.30 -0.05 -0.17 -0.05 0.07 -0.00 0.03 0.03 -0.10 0.01 0.11 -0.08 -0.02 0.03 -0.12 0.05 0.09 -0.13 -0.03 -0.03 0.04 0.01 -0.01 0.03 0.16 0.10 -0.22 -0.04 -0.02 0.06 -0.04 0.33 -0.00 -0.04 0.06 -0.04 0.29 -0.10 -0.16 -0.03 -0.11 0.05 -0.01 0.02 -0.11 -0.00 0.03 0.02 0.03 -0.01 0.03 -0.04 0.01 -0.01 -0.08 0.02 -0.01 -0.04 0.01 -0.02 -0.03 0.00 -0.03 -0.04 0.06 0.00 -0.10 0.10 0.01 -0.03 0.01 0.01 -0.01 0.00 -0.03 -0.03 -0.01 0.11 0.00 -0.01 0.03 -0.01 -0.03 0.17 0.00 -0.03 0.13 -0.02 -0.05 -0.03 -0.01 -0.02 -0.04 0.03 -0.04 -0.00 -0.03 0.02 -0.02 0.09 -0.09 -0.01 0.01 0.14 0.01 -0.03 0.02 0.00 -0.12 -0.01 -0.03 -0.03 0.02 -0.01 -0.04 -0.01 -0.05 -0.02 0.01 -0.04 -0.06 0.04 -0.00 0.01 0.07 0.02 -0.08 0.13 0.02 -0.15 0.11 0.00 -0.04 -0.01 0.14 0.01 -0.01 -0.01 -0.01 -0.04 0.26 -0.01 0.05 -0.17 0.02 -0.04 0.18 -0.06 0.05 -0.04 0.09 -0.22 0.12 0.18 0.12 -0.24 -0.11 -0.07 0.16 -0.04 0.45 0.10 -0.00 -0.00 0.00 -0.03 0.01 0.02 0.01 0.05 -0.05 0.00 0.00 0.02 -0.01 -0.05 0.03 -0.01 -0.03 0.02 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 0.00 0.01 0.02 -0.02 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.04 -0.01 0.00 -0.01 -0.00 -0.03 0.02 -0.01 0.02 -0.01 0.25 -0.06 -0.54 -0.14 -0.41 0.29 -0.07 0.56 0.15 0.11 -0.15 0.04 -0.18 -0.07 0.07 -0.02 -0.07 0.08 0.00 0.06 -0.08 -0.02 -0.05 0.02 -0.01 -0.02 -0.00 0.06 0.06 -0.06 0.00 0.09 -0.06 0.05 0.04 -0.08 0.09 0.01 -0.10 0.12 0.18 -0.03 -0.04 0.28 -0.03 0.01 0.02 -0.05 -0.00 0.02 -0.03 0.01 -0.02 0.01 -0.02 -0.01 0.05 -0.01 -0.06 0.09 -0.03 -0.05 0.11 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 -0.04 0.01 -0.01 -0.02 -0.00 -0.03 -0.08 0.03 0.10 0.09 -0.03 -0.09 -0.01 -0.08 0.07 0.06 -0.07 0.06 -0.03 -0.13 0.15 0.01 -0.11 0.11 0.14 -0.04 0.25 0.22 -0.01 -0.01 0.37 -0.02 -0.15 0.31 -0.05 0.02 -0.03 -0.00 -0.03 -0.01 0.06 -0.02 -0.09 0.14 0.01 0.09 -0.15 -0.04 -0.08 0.18 -0.02 -0.05 0.02 0.01 0.08 -0.07 -0.03 -0.10 -0.05 -0.05 -0.15 0.09 -0.02 -0.01 0.08 0.24 -0.11 -0.08 -0.09 0.03 0.03 -0.02 -0.02 -0.06 0.00 0.02 -0.13 -0.01 0.03 0.03 0.06 0.07 -0.01 -0.03 0.00 0.02 -0.02 0.01 0.02 -0.04 0.00 0.02 -0.04 0.00 0.04 -0.19 -0.05 0.05 -0.01 -0.16 0.05 -0.02 0.01 0.03 0.01 0.02 -0.08 -0.02 -0.01 0.16 0.04 0.04 -0.11 0.01 0.00 0.16 0.04 0.03 0.01 -0.00 -0.00 -0.08 0.00 0.01 -0.05 0.06 0.06 -0.06 -0.04 -0.01 0.01 0.09 0.06 -0.07 -0.04 0.01 0.11 -0.03 0.00 0.01 0.04 0.12 -0.02 -0.06 -0.00 0.01 -0.03 0.00 0.05 -0.05 0.00 0.04 -0.23 0.03 0.04 -0.30 -0.10 0.08 -0.01 -0.28 0.07 0.07 -0.17 0.04 -0.04 -0.02 0.25 0.05 0.07 -0.21 0.01 -0.01 0.26 0.00 0.03 -0.14 0.06 0.05 -0.00 -0.09 -0.04 0.03 0.14 0.21 -0.15 -0.05 0.00 0.08 -0.09 -0.02 0.13 0.00 0.04 0.16 0.03 0.00 -0.01 -0.01 0.03 0.02 -0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.01 0.01 0.01 0.02 0.02 -0.00 -0.06 -0.06 0.02 -0.08 -0.14 0.03 -0.04 -0.01 0.06 -0.06 -0.02 -0.01 0.18 -0.09 -0.07 -0.11 0.11 0.01 -0.01 -0.01 0.07 0.01 -0.00 -0.01 -0.01 0.01 0.08 0.04 0.04 -0.10 0.02 0.05 0.01 0.04 0.07 -0.10 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.02 0.01 -0.00 0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.01 0.01 -0.06 -0.05 -0.00 -0.20 -0.35 0.11 -0.03 0.01 0.06 -0.06 -0.04 -0.01 -0.07 0.02 -0.05 0.23 -0.28 -0.07 0.37 0.02 -0.17 -0.11 0.35 -0.02 -0.26 0.08 0.07 -0.03 0.01 0.14 0.05 0.05 -0.18 0.02 0.07 0.02 0.00 -0.03 0.01 0.07 0.10 -0.18 -0.01 -0.02 0.02 0.01 0.05 -0.03 0.00 0.01 0.02 0.00 0.01 0.01 0.01 0.01 0.02 -0.11 0.03 0.07 -0.02 -0.07 -0.05 -0.04 -0.04 0.14 0.02 0.13 -0.10 -0.03 -0.01 -0.02 -0.06 -0.03 -0.00 0.13 0.04 -0.01 0.04 -0.05 0.02 0.12 0.05 0.02 0.17 -0.00 -0.08 -0.04 -0.13 -0.02 -0.00 -0.11 0.14 0.04 0.02 0.03 0.01 0.09 -0.07 0.03 -0.04 0.10 -0.01 0.11 -0.15 -0.00 -0.04 0.05 -0.02 0.05 -0.10 -0.01 0.05 0.03 -0.01 0.05 -0.00 -0.06 0.01 0.00 0.00 0.03 -0.02 -0.07 -0.03 0.03 -0.02 -0.06 -0.04 0.18 0.11 0.00 0.01 -0.07 0.01 0.16 0.11 0.04 0.14 -0.09 -0.11 0.25 0.03 -0.13 -0.11 -0.21 -0.05 -0.02 -0.10 -0.07 0.05 -0.06 0.19 -0.05 -0.17 0.21 0.05 -0.09 0.18 -0.03 0.16 -0.25 -0.01 -0.09 0.10 0.03 0.16 -0.14 -0.06 0.06 -0.16 0.03 0.04 -0.03 -0.09 -0.11 0.08 -0.04 -0.07 -0.08 0.00 -0.10 -0.02 -0.02 -0.04 -0.03 -0.12 0.03 -0.03 -0.01 0.15 0.22 0.00 0.01 -0.08 0.03 -0.02 -0.07 0.02 -0.03 0.03 -0.02 -0.11 0.08 -0.00 -0.02 -0.05 -0.00 0.04 -0.07 -0.00 -0.02 -0.05 0.00 -0.02 -0.05 -0.05 0.08 0.01 0.00 0.03 -0.07 0.01 -0.03 -0.02 0.03 -0.01 -0.09 0.01 -0.05 0.11 0.04 0.01 -0.14 0.03 -0.06 0.13 0.04 -0.01 -0.02 0.01 -0.03 -0.02 0.00 -0.08 0.08 -0.03 -0.14 0.12 0.03 -0.02 0.03 -0.06 -0.00 0.08 0.08 0.15 -0.11 0.00 -0.02 -0.04 0.02 0.10 -0.11 -0.01 -0.01 -0.05 -0.00 -0.04 -0.05 0.01 -0.02 -0.05 -0.06 0.17 0.01 -0.08 0.04 0.08 0.00 -0.06 -0.06 0.03 0.07 -0.13 -0.00 -0.07 0.19 0.05 0.04 -0.23 0.02 -0.09 0.24 0.02 -0.04 -0.01 0.05 -0.00 -0.04 0.06 0.06 -0.02 -0.11 0.03 -0.01 0.18 0.22 0.09 0.16 0.35 -0.26 -0.03 0.03 -0.28 -0.08 0.16 0.25 -0.06 -0.01 -0.02 -0.02 -0.01 0.01 0.06 -0.01 -0.06 0.05 0.03 -0.02 0.04 0.08 -0.05 -0.10 -0.10 -0.02 -0.05 -0.01 -0.04 -0.03 -0.08 -0.03 -0.12 -0.02 -0.00 -0.04 0.08 0.04 -0.01 0.01 -0.14 0.04 -0.05 -0.03 0.05 -0.04 -0.06 0.04 -0.06 0.04 0.05 -0.04 -0.07 0.04 -0.07 0.07 0.05 -0.05 -0.00 0.03 0.02 -0.02 0.06 0.09 -0.02 0.06 0.12 -0.05 0.06 0.04 -0.00 -0.04 0.06 0.04 0.00 -0.16 0.07 -0.14 -0.17 0.00 -0.01 0.07 -0.07 -0.04 -0.11 -0.04 -0.11 0.04 -0.01 -0.17 -0.03 0.01 0.00 0.21 0.07 -0.10 0.01 0.13 -0.06 -0.10 -0.18 0.06 0.09 -0.23 0.03 -0.06 0.08 0.05 -0.03 -0.12 0.04 -0.09 0.13 0.09 -0.00 -0.05 0.06 -0.05 0.01 0.06 -0.02 0.03 -0.13 -0.06 0.04 -0.09 -0.23 -0.11 -0.03 -0.34 0.20 0.09 -0.06 0.21 -0.01 -0.05 -0.10 0.00 0.07 0.11 -0.02 -0.05 0.11 0.05 0.12 -0.14 0.00 0.02 -0.01 -0.04 -0.15 0.10 -0.09 -0.05 0.08 -0.04 -0.06 0.07 0.02 -0.04 0.02 -0.11 0.05 0.08 0.04 -0.07 0.02 -0.02 -0.04 -0.00 0.06 0.01 -0.06 0.03 0.03 -0.05 0.05 0.00 -0.12 -0.00 -0.02 0.06 0.02 -0.03 -0.05 -0.01 -0.06 0.08 0.03 0.08 -0.05 0.05 0.15 -0.11 -0.01 -0.06 0.03 0.06 0.21 -0.15 -0.01 -0.02 0.01 -0.02 -0.02 0.03 -0.14 -0.13 0.09 -0.04 -0.09 0.12 0.05 -0.13 0.03 -0.10 0.17 0.06 -0.18 0.02 0.12 0.11 -0.11 0.04 0.04 -0.05 -0.03 -0.06 0.01 -0.06 0.01 -0.06 0.01 0.07 0.01 -0.18 -0.02 -0.03 0.13 0.02 -0.05 -0.08 0.08 0.19 -0.27 -0.03 -0.10 0.18 0.09 0.34 -0.23 -0.00 0.04 -0.04 -0.04 -0.04 -0.03 -0.06 -0.08 0.08 0.02 0.03 0.09 -0.08 0.10 0.14 -0.06 0.04 0.06 0.01 -0.08 -0.11 -0.01 -0.02 -0.15 -0.00 -0.01 0.01 0.08 0.03 -0.04 0.05 0.09 0.03 0.04 0.02 0.05 -0.01 0.01 -0.02 0.04 0.01 0.09 0.04 -0.10 -0.07 0.00 -0.01 0.16 -0.02 0.03 -0.10 0.00 0.00 -0.08 -0.01 0.06 -0.12 0.03 -0.04 0.05 0.02 0.04 -0.01 0.03 -0.03 0.11 -0.01 -0.08 -0.11 -0.01 -0.10 -0.04 0.07 -0.02 -0.05 -0.06 -0.09 0.01 -0.03 0.01 -0.00 -0.03 0.09 0.08 0.05 0.10 0.03 -0.01 -0.07 0.10 -0.03 -0.07 -0.03 0.06 0.04 0.13 0.02 -0.04 0.15 0.00 -0.28 -0.10 0.09 -0.01 -0.22 0.05 0.13 0.19 -0.08 -0.12 0.28 -0.02 0.09 -0.16 0.04 -0.08 0.11 0.02 0.06 0.00 -0.04 -0.01 -0.19 0.05 -0.07 0.24 -0.12 -0.13 0.03 -0.15 -0.06 -0.08 0.02 0.12 0.16 -0.11 0.15 0.05 -0.01 0.09 0.10 -0.07 0.00 -0.03 -0.03 0.03 0.05 -0.03 -0.07 0.00 -0.02 -0.14 0.08 -0.01 0.09 -0.04 -0.00 -0.03 0.02 0.09 0.01 -0.07 0.04 0.02 -0.07 -0.03 -0.01 -0.01 0.09 -0.09 -0.05 -0.04 0.04 0.00 0.00 0.02 0.03 -0.04 -0.04 0.07 0.01 -0.09 0.08 -0.02 0.05 0.06 0.09 -0.04 0.03 0.07 0.10 -0.00 0.12 0.06 -0.04 -0.01 -0.06 -0.02 0.00 0.05 -0.10 -0.01 -0.05 -0.01 -0.01 0.16 -0.13 -0.04 -0.03 -0.01 -0.10 0.00 0.14 0.14 0.09 -0.08 0.03 0.04 -0.12 -0.07 0.07 -0.03 0.10 -0.21 -0.02 0.15 -0.06 -0.09 -0.12 0.07 -0.03 -0.01 0.03 0.06 0.05 -0.01 0.10 -0.05 0.05 0.01 -0.07 0.08 0.08 0.14 -0.08 0.01 0.08 0.18 -0.04 -0.02 -0.13 0.07 0.18 0.11 -0.11 -0.03 0.24 -0.19 -0.07 -0.03 -0.05 -0.17 -0.04 0.03 -0.24 -0.13 0.25 0.04 0.09 0.32 -0.05 -0.01 -0.06 -0.09 -0.06 -0.13 -0.02 0.04 0.01 0.05 -0.00 -0.02 -0.13 -0.04 0.07 -0.10 0.02 0.02 -0.03 -0.09 0.04 -0.02 -0.07 0.04 0.11 -0.03 0.00 0.00 0.01 -0.07 0.04 0.01 0.10 0.02 -0.02 -0.05 0.10 -0.01 -0.03 0.09 -0.01 -0.02 0.12 0.04 -0.04 0.15 -0.01 0.03 0.16 0.03 0.02 0.16 0.01 0.07 -0.01 0.03 0.01 -0.07 0.01 0.02 -0.09 0.05 -0.02 -0.13 -0.06 0.08 -0.07 0.02 -0.04 -0.11 0.16 0.04 -0.05 -0.14 0.07 0.00 -0.04 0.03 0.20 -0.05 0.04 -0.05 0.07 -0.14 0.01 0.02 -0.08 0.09 0.11 0.13 0.02 -0.04 0.18 -0.03 -0.09 -0.10 0.08 0.04 -0.13 0.09 0.08 -0.06 0.17 -0.05 0.04 0.16 0.05 0.03 0.08 -0.03 0.04 0.18 -0.01 0.12 -0.16 -0.10 0.10 -0.02 0.02 0.01 0.01 0.23 0.20 -0.15 0.31 -0.07 -0.18 0.12 -0.04 -0.02 0.04 0.05 -0.03 0.03 0.04 0.13 -0.07 0.02 -0.03 0.07 -0.02 0.01 -0.04 -0.00 0.08 -0.05 -0.03 -0.04 -0.05 0.03 -0.04 -0.06 0.03 0.07 0.05 0.07 0.02 0.02 -0.13 0.02 0.03 0.10 0.02 -0.03 -0.11 0.00 0.01 0.11 -0.03 0.06 0.09 -0.01 -0.03 0.04 -0.08 0.05 0.06 -0.06 -0.01 -0.08 -0.10 0.03 -0.06 0.04 -0.02 -0.05 0.02 -0.07 -0.10 0.08 -0.06 -0.08 -0.03 -0.07 -0.06 0.01 -0.02 -0.05 -0.03 0.11 0.11 -0.02 -0.03 0.04 0.01 -0.00 0.03 0.16 0.14 0.11 -0.06 -0.03 -0.22 0.11 0.09 -0.21 0.09 0.18 0.15 -0.04 -0.04 0.21 -0.06 -0.13 -0.19 0.13 0.05 -0.20 0.02 -0.06 0.04 -0.11 0.08 0.06 -0.07 -0.02 -0.18 -0.07 0.10 -0.10 -0.15 0.04 -0.14 -0.09 -0.07 -0.06 -0.09 -0.05 -0.14 0.05 0.15 0.21 -0.17 0.18 0.06 0.01 0.12 0.15 -0.07 -0.06 -0.09 0.03 -0.00 0.06 0.01 0.01 -0.05 -0.01 -0.03 0.03 0.05 0.20 -0.12 0.03 0.15 -0.09 -0.06 0.03 0.09 -0.04 0.01 0.10 0.09 0.04 -0.01 0.01 0.09 -0.08 0.06 -0.01 0.03 0.03 -0.03 -0.04 0.03 0.04 -0.07 0.01 0.04 -0.06 0.02 -0.01 -0.04 0.00 0.04 -0.06 0.00 -0.05 0.06 -0.01 -0.02 0.03 -0.02 -0.07 0.05 -0.05 -0.14 0.11 -0.04 -0.07 0.05 -0.01 0.01 0.00 -0.03 -0.06 0.04 -0.05 -0.08 0.08 -0.06 -0.01 0.13 -0.00 0.01 0.16 0.24 0.02 0.06 -0.08 0.15 -0.20 0.08 0.06 -0.06 0.17 -0.02 0.07 -0.02 -0.02 -0.02 -0.05 -0.02 -0.14 0.14 -0.05 -0.03 0.03 -0.01 -0.05 -0.01 0.05 -0.07 -0.00 -0.09 0.14 -0.05 -0.08 0.11 -0.03 -0.05 0.08 -0.00 0.02 -0.00 -0.01 -0.05 0.05 -0.24 -0.17 -0.13 -0.13 -0.30 0.24 0.14 0.00 0.30 -0.05 -0.01 -0.06 -0.06 -0.02 -0.04 0.16 0.03 0.08 0.04 0.01 0.14 -0.00 -0.01 -0.01 0.02 -0.02 -0.02 0.00 0.03 -0.04 0.02 0.07 -0.06 -0.01 -0.01 -0.05 -0.08 0.08 0.13 -0.05 -0.00 -0.12 -0.03 0.04 0.05 0.07 -0.01 -0.03 0.04 0.01 0.01 0.06 -0.09 0.02 -0.01 0.02 -0.07 0.00 -0.12 0.04 -0.03 -0.05 -0.07 0.06 0.02 0.07 0.01 -0.02 -0.02 0.01 -0.02 -0.04 -0.00 -0.02 -0.03 -0.04 -0.02 -0.04 -0.05 0.10 0.13 -0.07 -0.07 -0.04 -0.01 0.04 -0.07 -0.12 -0.09 -0.10 0.02 0.21 0.24 -0.25 0.03 0.22 -0.10 -0.13 -0.16 -0.02 0.05 -0.22 0.04 0.12 0.12 -0.12 -0.03 0.13 0.09 -0.13 0.05 -0.04 0.06 -0.10 -0.01 -0.19 0.10 0.06 0.01 0.14 -0.07 -0.05 -0.11 -0.02 -0.02 -0.03 -0.05 -0.02 -0.06 -0.00 0.13 0.20 -0.22 0.14 0.11 0.01 0.14 0.21 -0.04 -0.03 -0.04 0.01 -0.01 0.03 0.06 0.03 -0.00 0.01 0.13 -0.11 0.02 0.08 -0.04 0.01 0.09 -0.05 0.07 -0.14 -0.14 0.08 -0.14 -0.14 -0.05 -0.04 0.02 -0.04 -0.04 0.07 -0.02 0.02 0.10 -0.03 0.02 0.05 0.02 -0.00 0.05 0.00 0.05 -0.00 0.02 0.03 -0.00 -0.02 0.02 0.06 0.01 0.04 -0.06 -0.02 0.03 0.04 0.01 0.03 -0.00 -0.03 -0.08 0.07 -0.02 -0.03 0.03 -0.02 -0.04 0.04 -0.02 -0.03 0.03 -0.01 -0.02 0.01 0.03 -0.12 -0.24 0.03 -0.14 -0.24 -0.22 -0.05 -0.06 0.10 -0.05 0.26 -0.23 0.02 0.04 -0.22 0.14 0.02 0.15 -0.02 0.31 0.10 -0.05 0.23 -0.21 0.16 -0.05 0.03 0.02 -0.01 -0.02 0.02 0.08 0.01 0.05 -0.14 0.00 0.14 -0.13 -0.03 0.02 0.05 -0.02 -0.05 0.05 -0.00 -0.02 0.04 -0.08 -0.06 -0.05 -0.03 -0.10 0.07 0.05 -0.00 0.08 0.04 0.02 0.05 0.01 0.02 -0.01 -0.05 -0.03 -0.00 -0.05 -0.11 0.13 -0.01 -0.04 0.01 0.00 -0.07 0.02 0.00 -0.05 -0.07 0.10 -0.14 -0.04 0.03 0.06 -0.05 -0.06 0.14 -0.05 0.07 -0.00 0.17 0.04 -0.01 0.11 -0.01 0.06 -0.10 -0.02 0.04 -0.05 -0.02 0.04 -0.08 -0.03 0.06 -0.11 -0.04 -0.02 0.10 -0.04 0.00 0.04 -0.03 -0.04 0.02 0.01 0.03 -0.06 0.02 -0.00 -0.03 0.01 0.03 -0.06 0.02 0.01 -0.02 -0.00 0.00 -0.01 -0.08 -0.09 -0.18 0.09 -0.14 -0.06 0.04 0.03 -0.05 -0.01 0.25 -0.00 -0.21 0.15 -0.04 -0.10 0.10 0.11 0.24 -0.04 0.37 0.14 -0.09 0.25 -0.10 0.13 -0.01 -0.02 0.06 -0.12 -0.03 0.08 -0.14 -0.05 -0.08 0.25 -0.08 -0.14 0.18 -0.05 -0.03 0.12 0.01 0.05 -0.07 -0.00 0.01 -0.05 0.03 0.02 0.02 -0.01 0.03 -0.03 -0.02 0.00 -0.03 0.01 -0.00 0.02 0.02 0.01 0.02 -0.18 -0.06 -0.09 0.01 -0.06 -0.08 -0.02 0.01 0.01 -0.01 0.02 0.00 -0.00 0.02 -0.03 0.04 0.03 -0.04 0.12 0.09 0.00 -0.08 0.25 0.01 -0.02 0.01 -0.04 0.01 0.02 0.05 0.10 -0.00 0.13 0.06 -0.01 0.12 0.09 -0.11 0.13 0.02 -0.02 0.13 0.04 -0.07 -0.09 0.01 -0.03 -0.10 -0.04 -0.06 -0.07 -0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.03 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.03 -0.04 -0.12 -0.13 -0.05 0.04 0.03 -0.05 0.07 0.13 -0.02 -0.03 0.43 0.05 -0.26 0.25 0.04 -0.08 -0.04 -0.07 0.02 0.03 -0.06 0.07 0.04 0.12 -0.07 0.01 0.07 0.13 -0.16 0.15 -0.03 0.01 0.17 0.04 -0.06 -0.24 -0.06 -0.09 -0.05 -0.04 0.01 -0.26 -0.04 -0.01 0.02 0.00 -0.00 0.01 -0.03 -0.04 -0.07 0.05 -0.04 -0.03 -0.03 -0.04 -0.07 0.15 -0.03 0.22 0.21 0.14 0.15 0.17 0.01 0.06 -0.04 0.04 0.07 -0.20 0.03 -0.07 -0.11 0.03 -0.07 0.01 -0.03 0.01 -0.02 0.03 -0.01 0.05 -0.05 -0.01 0.01 -0.02 0.05 -0.03 0.00 -0.05 -0.02 0.01 -0.03 0.05 -0.03 -0.03 -0.01 0.01 0.01 0.06 -0.02 -0.01 0.04 0.02 -0.01 0.08 -0.02 0.02 0.06 0.02 -0.01 -0.03 0.03 -0.00 -0.15 -0.05 -0.13 -0.07 -0.03 -0.07 -0.22 -0.03 -0.09 0.08 -0.04 0.01 -0.22 -0.05 -0.18 0.00 -0.07 0.06 -0.03 0.03 -0.03 0.03 -0.09 -0.02 0.03 0.03 0.06 -0.03 -0.05 0.08 0.01 -0.03 -0.04 -0.06 0.01 -0.10 -0.03 0.04 -0.05 -0.01 -0.02 -0.00 0.04 -0.01 0.00 0.08 -0.00 -0.03 0.08 -0.04 0.05 -0.00 0.06 0.04 0.03 0.01 -0.02 -0.30 -0.02 -0.09 0.02 -0.06 -0.04 -0.26 -0.08 -0.25 -0.09 -0.08 -0.16 -0.26 -0.08 -0.24 -0.01 0.01 -0.02 -0.02 -0.01 -0.01 0.22 -0.00 0.04 0.02 0.04 -0.07 -0.03 0.05 0.05 -0.02 0.04 0.05 -0.12 0.06 -0.00 0.09 0.03 0.04 -0.07 0.01 -0.12 -0.10 0.06 -0.17 0.08 0.00 0.07 0.10 -0.02 0.16 -0.09 -0.05 -0.06 -0.03 -0.11 -0.04 -0.10 -0.05 0.10 0.02 -0.15 0.05 -0.03 0.02 -0.02 0.05 -0.02 -0.09 0.04 0.02 -0.02 -0.01 0.01 0.01 -0.02 0.02 0.02 -0.04 0.04 0.04 -0.01 0.01 0.01 -0.00 -0.03 -0.04 -0.17 0.01 -0.04 0.15 0.04 0.12 0.05 0.06 -0.07 -0.22 0.11 -0.33 0.03 -0.01 -0.12 -0.01 -0.07 0.03 0.13 0.03 0.05 0.19 -0.03 0.27 0.02 -0.01 0.17 -0.14 -0.05 0.21 0.05 -0.21 0.12 -0.01 0.11 -0.05 0.09 0.06 -0.07 0.12 0.04 -0.18 -0.07 0.06 0.03 0.02 0.02 0.03 -0.04 -0.05 -0.10 0.11 -0.06 -0.03 -0.05 -0.05 -0.10 0.01 0.08 -0.03 -0.11 -0.04 -0.09 0.20 -0.13 -0.06 -0.03 -0.06 -0.00 -0.06 0.13 0.14 -0.01 0.02 0.20 0.06 -0.01 -0.00 -0.04 -0.03 -0.02 0.04 0.03 0.06 0.05 0.02 0.08 -0.03 -0.00 -0.02 -0.05 0.01 -0.08 0.02 0.03 0.04 0.00 0.05 0.01 0.02 0.00 -0.05 -0.01 0.06 -0.03 -0.01 -0.03 0.00 -0.03 -0.01 0.03 0.03 -0.14 -0.06 -0.02 -0.07 0.01 0.02 -0.02 0.05 -0.08 0.16 0.04 0.01 0.06 -0.02 0.03 -0.08 -0.10 0.08 0.02 -0.00 -0.08 -0.04 -0.06 -0.02 0.01 0.04 0.12 0.01 0.17 -0.04 0.06 0.06 0.00 0.05 0.00 -0.05 -0.02 0.02 -0.10 0.00 -0.14 -0.00 0.01 -0.10 0.05 -0.01 -0.09 -0.02 0.09 -0.06 -0.01 -0.06 0.02 -0.11 -0.08 -0.02 -0.07 -0.04 0.07 -0.19 0.31 -0.05 0.03 0.09 -0.03 -0.09 -0.15 -0.28 0.36 -0.17 -0.05 -0.09 -0.15 -0.25 -0.17 -0.07 -0.13 0.03 -0.06 0.18 -0.01 -0.02 0.03 -0.01 -0.03 0.07 -0.04 -0.01 0.15 0.12 0.20 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.03 -0.00 -0.03 0.07 0.00 0.02 -0.07 0.01 0.02 -0.07 0.00 -0.02 0.04 0.00 -0.01 0.01 0.01 0.07 -0.09 0.06 0.19 -0.21 0.12 0.11 -0.12 -0.12 -0.07 0.09 0.01 -0.15 0.03 0.06 -0.05 -0.06 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 0.02 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.01 0.06 -0.17 0.01 0.06 -0.17 -0.00 -0.03 0.08 0.03 0.08 -0.13 0.00 -0.01 0.01 -0.32 -0.29 0.25 -0.07 -0.24 0.01 0.07 -0.07 -0.12 0.30 -0.04 -0.08 -0.11 -0.11 -0.24 0.02 -0.00 0.02 0.01 0.01 -0.02 0.02 -0.00 -0.01 0.03 0.01 -0.05 -0.01 0.00 -0.02 -0.03 -0.01 -0.01 -0.06 -0.02 -0.00 0.06 0.07 -0.02 -0.04 0.02 0.09 -0.07 0.00 -0.09 -0.01 0.03 -0.05 0.06 0.02 0.07 -0.01 -0.06 0.24 0.02 -0.05 0.11 -0.00 0.03 -0.14 0.03 0.03 -0.16 -0.00 -0.03 -0.01 0.01 -0.09 0.11 0.02 -0.00 -0.00 -0.00 -0.02 0.03 -0.03 -0.01 0.02 0.01 0.00 -0.00 -0.01 0.02 0.00 -0.02 0.01 0.00 -0.08 -0.02 -0.03 0.10 0.11 -0.01 -0.05 0.17 0.09 -0.15 -0.10 -0.18 0.06 0.08 -0.19 -0.05 -0.07 -0.07 -0.01 0.07 -0.13 0.14 0.03 0.17 -0.03 -0.01 0.11 0.04 0.11 -0.45 0.02 0.16 -0.46 0.00 0.02 -0.09 0.03 -0.00 -0.02 0.01 -0.12 0.17 0.04 0.02 -0.01 0.01 0.03 0.02 -0.02 0.01 0.01 -0.06 0.01 0.00 -0.00 0.02 0.03 -0.01 -0.06 0.01 0.05 0.02 0.01 0.08 -0.01 0.01 0.07 -0.05 -0.06 -0.02 -0.04 -0.03 -0.06 0.02 -0.05 0.10 0.15 -0.04 -0.07 -0.10 0.02 -0.05 0.15 0.06 0.07 0.13 0.07 0.01 -0.03 0.08 -0.08 -0.02 -0.10 -0.08 0.04 0.05 0.05 -0.07 -0.05 -0.11 -0.03 -0.02 0.05 -0.11 -0.06 -0.07 -0.02 -0.04 0.04 -0.14 -0.01 0.05 0.01 -0.01 0.03 0.07 0.02 -0.06 0.07 0.01 0.04 -0.01 0.02 -0.04 0.01 0.05 -0.05 0.02 0.01 0.16 0.28 -0.11 -0.13 -0.18 0.03 -0.10 0.18 0.03 0.20 0.08 0.25 -0.06 0.18 0.05 0.02 0.14 0.10 0.04 -0.10 0.24 -0.19 -0.07 -0.23 0.06 0.04 -0.18 -0.06 -0.06 -0.05 0.02 -0.07 -0.06 -0.05 0.09 -0.04 0.10 -0.10 0.06 0.11 -0.14 0.04 0.09 -0.07 0.06 0.00 0.01 0.10 -0.00 0.05 0.07 -0.14 0.06 -0.01 -0.03 0.05 0.04 -0.03 -0.11 0.01 0.06 0.05 -0.01 0.07 -0.11 -0.06 0.06 -0.11 -0.01 -0.04 -0.06 0.01 -0.07 0.05 -0.04 -0.06 -0.04 0.00 0.03 0.03 -0.01 -0.09 -0.01 0.05 -0.04 -0.11 -0.04 0.00 0.02 -0.02 0.04 0.00 0.04 0.08 0.09 -0.02 0.09 0.14 -0.10 0.08 0.01 0.06 -0.04 0.09 0.05 -0.04 -0.00 -0.06 -0.09 0.01 0.02 0.08 -0.11 -0.04 0.07 0.11 -0.00 -0.06 0.12 -0.00 0.05 0.04 0.04 -0.08 0.03 0.06 -0.05 0.02 0.01 -0.03 0.00 -0.00 0.06 0.07 0.00 -0.10 -0.04 0.04 -0.11 -0.32 -0.09 0.13 -0.03 -0.16 -0.01 -0.05 -0.03 0.00 0.04 -0.08 0.10 0.00 0.11 -0.02 -0.00 0.06 0.15 -0.11 0.19 -0.12 0.09 0.26 -0.06 -0.10 -0.07 -0.11 -0.30 0.32 -0.16 -0.05 0.14 0.09 -0.04 0.09 -0.03 0.02 0.15 0.01 0.05 0.06 -0.10 0.06 -0.02 -0.06 0.04 0.01 -0.02 -0.08 0.00 0.04 0.03 -0.02 0.10 -0.07 -0.04 -0.07 0.00 -0.07 0.02 -0.06 -0.01 -0.05 0.02 -0.04 0.04 -0.13 0.04 0.01 0.02 -0.02 0.21 -0.07 -0.05 0.05 0.07 0.04 -0.04 0.01 -0.05 -0.01 0.02 -0.02 -0.05 -0.09 -0.02 -0.11 -0.09 0.09 -0.06 0.06 -0.03 -0.06 -0.03 -0.01 -0.03 0.07 0.09 -0.03 0.12 0.00 -0.01 -0.05 -0.06 0.04 0.08 0.03 -0.06 0.10 0.03 0.08 0.02 0.03 -0.07 0.04 0.07 0.02 0.01 0.04 -0.04 -0.30 0.11 -0.01 0.04 -0.09 0.29 -0.07 -0.01 0.06 0.41 -0.00 -0.14 -0.05 0.18 -0.01 -0.03 -0.05 -0.07 0.02 -0.11 0.01 0.06 -0.00 -0.05 -0.01 0.01 -0.15 0.18 -0.12 0.03 -0.05 -0.16 -0.03 0.07 0.10 -0.11 -0.03 -0.01 0.04 0.18 -0.11 0.17 -0.04 0.06 0.00 0.05 0.16 0.08 0.05 0.10 -0.08 0.06 0.01 0.04 0.04 0.07 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.04 -0.04 0.03 0.03 -0.05 -0.01 0.01 -0.02 -0.03 0.00 -0.01 -0.02 0.11 -0.03 -0.03 -0.02 0.03 -0.12 0.01 -0.10 -0.01 -0.07 0.01 0.04 -0.02 0.07 -0.01 -0.03 0.01 0.05 0.05 -0.05 0.04 -0.04 0.25 0.08 0.04 -0.12 -0.01 0.03 0.08 0.01 -0.10 0.17 -0.02 0.05 -0.15 0.04 -0.02 -0.05 0.01 -0.00 0.03 -0.03 0.01 0.03 0.01 -0.00 0.02 -0.02 0.02 0.02 -0.03 0.01 -0.00 0.02 0.17 -0.03 -0.03 -0.08 0.10 -0.16 -0.07 -0.12 -0.01 -0.16 0.02 0.08 -0.11 0.04 0.03 0.04 0.07 0.07 -0.04 0.14 -0.06 -0.05 -0.06 0.07 -0.01 -0.02 0.12 0.07 -0.30 -0.03 0.13 -0.11 -0.00 -0.19 0.28 -0.02 0.12 -0.24 -0.05 0.15 -0.46 0.04 -0.01 0.03 0.01 0.03 0.05 -0.02 0.01 0.01 -0.05 0.01 -0.00 -0.01 0.01 0.01 0.06 0.24 -0.12 -0.05 -0.22 0.17 0.05 -0.04 -0.04 -0.01 -0.06 0.04 -0.05 -0.09 -0.10 -0.07 -0.01 -0.08 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.02 -0.02 0.01 -0.00 0.01 -0.01 0.02 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 -0.05 -0.03 0.01 0.05 0.04 -0.04 0.08 0.06 0.06 -0.01 -0.02 0.18 0.02 0.14 -0.15 0.02 -0.04 -0.00 -0.01 0.00 0.02 0.02 -0.01 0.01 -0.01 0.02 -0.02 -0.01 -0.02 -0.01 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.01 0.01 0.01 -0.02 0.00 0.01 0.01 -0.02 0.04 -0.01 0.01 0.03 -0.01 -0.02 0.00 0.04 0.23 -0.53 -0.02 -0.00 0.03 0.21 -0.05 0.00 0.33 0.07 0.28 -0.07 0.06 0.05 -0.30 0.06 -0.07 -0.09 0.06 0.03 0.01 0.06 -0.01 -0.02 -0.04 0.03 -0.05 0.02 0.03 0.16 -0.01 -0.09 -0.03 0.06 -0.02 0.01 -0.03 0.03 0.01 -0.05 0.02 -0.00 0.00 -0.00 0.03 -0.01 -0.01 0.02 0.00 0.01 -0.01 0.01 -0.02 0.00 0.01 -0.00 0.05 0.02 0.00 0.12 -0.08 0.01 0.03 0.15 0.02 -0.10 -0.13 -0.02 -0.17 0.09 0.06 -0.10 0.03 -0.03 0.08 0.03 0.03 0.02 -0.02 -0.02 0.03 -0.05 -0.02 -0.04 -0.03 0.02 0.04 -0.02 -0.04 -0.08 0.00 -0.04 -0.01 -0.09 0.04 0.00 0.02 -0.03 0.08 -0.01 0.02 0.02 0.06 -0.01 -0.00 -0.02 0.03 0.01 -0.01 -0.01 -0.03 0.01 -0.05 0.02 0.01 0.01 -0.01 -0.00 0.01 0.07 0.13 -0.04 -0.16 -0.06 -0.03 -0.19 0.00 0.06 0.10 -0.39 0.66 0.08 0.10 -0.05 -0.09 -0.04 0.03 0.02 -0.03 -0.07 -0.12 -0.01 -0.08 -0.03 -0.02 -0.03 -0.07 -0.02 -0.04 0.00 0.04 -0.03 -0.00 -0.04 0.04 0.02 -0.00 0.01 -0.05 0.06 -0.09 -0.01 -0.06 0.03 0.01 0.02 -0.03 -0.00 0.03 -0.01 -0.02 -0.00 0.01 -0.03 -0.00 -0.06 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.02 -0.02 0.01 -0.04 0.02 0.03 -0.00 -0.05 -0.01 0.03 0.05 0.02 0.07 -0.03 -0.01 0.03 -0.00 0.02 -0.04 -0.02 0.03 -0.02 -0.01 0.00 0.02 0.03 -0.02 0.02 0.04 -0.05 0.02 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 0.00 -0.03 -0.03 0.03 -0.03 0.01 -0.06 0.01 0.01 0.02 0.01 -0.05 0.06 0.02 0.01 0.02 0.02 -0.01 0.03 -0.02 -0.03 -0.02 0.04 -0.01 0.00 -0.02 -0.01 -0.07 0.05 0.06 -0.05 0.07 0.01 -0.06 -0.19 -0.41 0.82 -0.04 -0.01 -0.02 0.04 0.09 -0.08 0.04 -0.01 0.03 0.06 0.01 0.03 0.00 0.01 -0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.02 -0.02 0.02 -0.04 0.02 0.03 -0.02 -0.01 -0.02 0.01 -0.01 -0.12 0.05 0.04 -0.01 -0.05 0.03 0.05 0.23 -0.01 -0.00 -0.01 -0.05 0.03 -0.07 0.03 0.03 -0.01 -0.07 0.10 -0.06 -0.01 0.04 -0.03 -0.12 -0.02 -0.14 0.09 -0.01 0.12 -0.01 -0.08 0.11 0.09 -0.05 -0.17 -0.02 0.03 -0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 0.01 0.01 0.00 0.00 0.02 0.00 0.00 0.02 -0.03 -0.03 0.09 0.10 -0.12 0.08 0.02 0.26 -0.03 -0.19 0.00 0.02 0.21 -0.22 -0.06 -0.05 -0.08 -0.06 0.06 -0.14 0.13 0.03 0.13 -0.12 0.05 -0.00 -0.10 -0.08 -0.04 0.06 -0.05 0.30 0.01 -0.02 0.43 -0.05 -0.13 0.25 0.05 -0.04 -0.22 -0.02 -0.07 0.04 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.04 -0.00 0.02 0.02 0.02 -0.01 -0.01 -0.02 -0.01 0.03 -0.05 0.02 -0.05 -0.01 0.01 0.09 0.21 -0.16 -0.07 -0.17 0.10 -0.00 0.03 -0.01 -0.01 0.00 0.01 -0.02 -0.01 -0.06 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.04 0.02 0.01 0.00 -0.05 0.02 0.01 0.06 -0.01 0.06 -0.01 -0.04 0.01 0.01 0.04 -0.00 0.06 -0.11 0.04 0.15 -0.09 -0.03 -0.00 0.04 -0.04 -0.19 0.13 -0.00 0.04 0.04 0.03 0.03 -0.01 -0.01 0.00 0.01 -0.02 -0.02 0.03 -0.02 0.00 -0.06 0.01 0.03 0.01 0.00 -0.06 0.06 0.02 0.01 0.02 0.01 -0.01 0.03 -0.03 -0.01 -0.02 0.03 -0.01 0.00 -0.02 -0.02 0.00 0.03 0.05 -0.03 0.06 0.01 -0.09 -0.11 -0.18 0.33 -0.06 -0.03 0.08 -0.12 -0.55 0.37 0.05 0.05 0.08 -0.16 -0.02 -0.04 -0.02 -0.03 0.03 0.18 -0.02 0.12 0.03 0.04 0.00 -0.00 -0.02 0.01 0.05 -0.02 0.04 -0.07 -0.04 0.00 0.05 -0.04 0.02 -0.09 0.07 -0.07 0.03 0.05 -0.02 -0.01 0.00 0.01 -0.05 0.01 0.10 -0.04 0.04 -0.03 0.00 0.01 -0.00 0.01 -0.00 0.01 0.09 -0.05 0.03 -0.01 -0.07 -0.08 0.19 0.09 -0.02 -0.10 -0.14 -0.03 0.04 0.00 0.03 -0.04 0.07 -0.03 -0.09 0.08 -0.11 -0.12 0.02 -0.07 -0.14 -0.06 0.07 -0.07 -0.04 -0.09 0.00 0.03 0.04 0.24 -0.02 0.10 0.09 0.17 -0.06 -0.02 -0.01 0.02 -0.12 0.02 0.07 0.00 -0.15 0.05 -0.03 0.21 -0.21 0.01 0.03 0.00 -0.01 -0.00 0.01 -0.02 -0.00 -0.02 0.04 -0.02 0.02 0.20 0.05 0.05 -0.05 -0.26 0.12 -0.01 -0.25 0.13 -0.01 -0.09 0.12 0.05 0.05 0.10 -0.17 0.01 -0.12 0.09 0.08 0.10 0.26 -0.01 0.12 0.18 0.01 0.09 0.22 0.01 0.10 -0.06 -0.05 -0.02 0.04 -0.01 0.09 0.05 0.08 -0.08 -0.04 0.03 -0.07 0.04 0.10 -0.06 -0.09 -0.22 0.15 0.03 0.05 -0.02 -0.01 0.00 0.01 -0.03 0.00 0.08 -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.05 -0.06 0.05 -0.03 -0.04 -0.09 0.12 0.05 -0.03 -0.08 -0.11 0.01 0.05 -0.01 0.05 -0.03 0.07 -0.03 -0.11 -0.22 0.29 -0.05 -0.06 0.05 0.11 0.42 -0.29 -0.02 -0.01 -0.01 0.03 -0.04 -0.05 0.05 0.02 0.00 0.08 0.15 -0.06 -0.03 -0.03 0.01 -0.08 0.02 0.06 -0.00 -0.08 0.04 -0.05 0.16 -0.15 0.01 0.04 0.01 -0.01 -0.01 0.03 -0.02 0.01 -0.03 0.04 -0.03 0.03 0.11 0.07 -0.06 -0.01 -0.19 0.03 0.02 -0.16 0.03 0.01 0.12 -0.23 0.03 0.10 -0.06 -0.04 -0.02 -0.00 -0.05 -0.17 -0.03 -0.07 -0.01 -0.01 0.03 -0.02 0.03 0.14 -0.03 0.07 0.01 0.03 0.00 0.01 -0.02 0.05 0.01 0.00 -0.01 0.04 -0.02 -0.01 0.03 0.01 0.00 -0.14 0.00 -0.00 -0.07 -0.02 0.04 0.04 -0.02 -0.03 0.04 0.02 -0.07 0.04 -0.06 0.05 -0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.10 -0.05 0.08 0.03 0.08 -0.07 0.01 0.06 0.07 0.05 0.00 -0.11 0.02 -0.01 0.02 -0.11 0.03 -0.00 -0.02 0.02 -0.09 -0.03 -0.02 -0.09 0.08 -0.06 -0.07 -0.02 -0.06 0.02 -0.03 -0.03 0.19 -0.01 0.08 -0.14 -0.13 0.06 0.07 -0.01 0.01 0.14 -0.03 -0.02 -0.06 0.04 -0.10 0.18 -0.23 0.20 -0.15 -0.09 -0.07 0.14 0.04 -0.01 0.05 -0.12 0.07 -0.07 0.14 -0.14 0.01 -0.01 -0.08 -0.02 0.24 -0.21 -0.08 0.22 -0.26 0.03 0.02 -0.11 0.05 -0.02 -0.21 -0.19 0.06 -0.11 0.04 -0.03 0.00 0.17 -0.01 0.09 0.15 -0.00 0.08 0.20 -0.00 0.09 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.03 0.00 -0.00 0.07 -0.12 -0.05 -0.07 0.06 0.05 -0.03 -0.02 -0.05 0.00 0.02 -0.04 0.05 0.02 0.02 0.02 -0.04 0.04 -0.01 0.03 -0.00 0.02 0.02 0.02 -0.04 0.00 0.00 0.03 0.03 0.01 -0.04 0.00 -0.00 0.01 -0.03 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.04 -0.00 0.02 0.10 -0.12 0.01 -0.11 0.11 -0.09 -0.21 -0.03 -0.13 0.13 -0.02 0.12 -0.22 0.15 -0.14 0.42 0.16 0.19 -0.34 -0.08 -0.05 -0.03 0.32 -0.08 0.02 -0.32 0.33 -0.02 -0.02 0.01 -0.00 0.07 -0.01 -0.03 0.06 0.01 -0.00 0.01 -0.05 0.01 -0.03 -0.02 -0.04 0.01 -0.02 0.01 -0.01 -0.01 0.03 -0.00 0.02 0.03 0.00 0.02 0.04 0.00 0.02 0.02 0.02 0.01 -0.01 0.01 -0.01 0.03 0.05 -0.04 0.01 -0.01 -0.04 -0.01 -0.01 0.02 0.00 0.05 -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 -0.00 0.00 -0.01 -0.03 0.06 0.00 0.05 -0.13 -0.00 -0.01 -0.01 -0.00 -0.01 0.07 0.00 -0.04 0.09 -0.01 0.02 0.01 -0.04 -0.14 0.20 0.04 0.15 -0.10 -0.05 -0.15 0.08 0.00 0.02 -0.02 0.01 -0.02 -0.03 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.03 -0.01 -0.01 0.04 -0.02 0.00 -0.03 0.03 0.00 0.02 0.00 -0.00 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.02 0.01 0.01 0.13 -0.37 0.01 0.04 -0.07 0.02 0.13 -0.39 0.01 0.03 -0.13 -0.01 0.15 -0.39 -0.15 -0.42 0.28 -0.00 0.00 -0.08 0.03 0.00 0.01 0.02 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.04 0.01 0.05 -0.06 -0.00 -0.00 0.01 -0.02 0.02 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.03 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.03 -0.10 -0.01 -0.07 0.17 0.00 0.00 0.00 -0.00 0.01 -0.07 0.01 0.04 -0.11 0.00 -0.00 0.00 -0.02 -0.11 0.13 0.02 0.08 -0.05 -0.04 -0.07 0.03 0.00 0.02 -0.01 0.01 -0.02 -0.03 0.02 -0.00 0.01 0.02 0.04 -0.00 0.02 0.00 -0.00 0.01 -0.07 0.03 0.00 -0.06 0.02 -0.01 0.06 -0.06 -0.03 -0.02 -0.02 0.02 0.01 -0.01 0.02 -0.02 0.02 -0.01 0.03 -0.02 -0.03 -0.17 0.50 0.01 -0.02 -0.01 -0.02 -0.18 0.48 -0.02 0.04 -0.05 -0.01 -0.16 0.43 -0.10 -0.25 0.17 -0.00 -0.01 -0.05 0.03 0.00 0.01 0.02 0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 -0.04 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.01 -0.00 0.02 -0.01 -0.10 0.02 -0.01 0.02 0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.02 -0.06 0.18 0.02 0.05 -0.06 -0.04 0.01 -0.07 0.02 0.05 0.02 -0.02 0.00 0.00 0.00 0.03 -0.10 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.03 -0.03 0.03 -0.00 0.01 -0.11 -0.15 0.04 -0.03 -0.05 0.03 -0.01 0.14 -0.11 -0.04 0.16 -0.09 0.08 -0.21 0.21 -0.03 0.01 -0.00 0.05 -0.02 0.05 -0.05 -0.03 -0.04 0.05 -0.01 -0.00 -0.05 -0.01 -0.01 -0.01 -0.10 0.48 -0.03 -0.13 0.48 0.03 0.01 -0.05 -0.05 -0.17 0.42 -0.03 0.01 -0.01 -0.00 -0.03 -0.05 0.03 0.00 0.02 0.02 0.00 0.01 0.03 0.00 0.02 -0.03 -0.06 -0.04 -0.01 -0.00 -0.07 0.01 0.04 -0.00 -0.05 0.03 -0.01 0.01 -0.02 -0.02 0.19 -0.07 -0.00 -0.04 -0.04 0.01 0.00 0.01 -0.01 0.00 0.03 -0.07 0.04 -0.02 0.04 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.04 0.06 0.06 0.04 0.02 0.01 0.04 0.08 0.02 0.04 -0.04 -0.02 -0.10 0.02 -0.01 0.04 -0.11 -0.06 -0.12 -0.04 0.08 -0.07 -0.02 -0.10 0.12 0.04 0.09 -0.09 -0.05 -0.15 -0.06 0.21 0.30 -0.03 -0.01 -0.02 -0.12 -0.18 0.04 -0.01 -0.00 -0.01 -0.07 0.06 -0.11 -0.05 -0.02 -0.08 0.19 -0.10 0.10 0.03 0.04 0.02 -0.02 -0.02 0.03 0.01 0.04 0.01 -0.04 -0.04 0.04 0.14 -0.01 0.01 -0.03 0.00 0.07 -0.10 0.02 0.13 -0.05 0.05 -0.06 0.14 -0.13 0.08 -0.21 -0.15 -0.08 0.10 0.26 0.48 -0.05 -0.02 -0.06 0.03 -0.02 -0.02 -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.06 0.02 0.04 -0.04 -0.04 0.02 0.01 0.02 -0.01 -0.02 0.02 -0.00 -0.02 -0.04 0.02 0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.09 0.04 -0.06 -0.02 -0.14 -0.02 0.16 0.03 0.09 -0.10 0.03 -0.10 0.14 -0.13 0.11 0.02 0.50 0.01 -0.27 -0.27 0.31 0.10 0.42 0.02 -0.23 -0.23 0.25 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.02 -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 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 -0.02 -0.05 -0.04 0.02 0.03 -0.04 0.02 -0.04 -0.02 -0.03 -0.02 0.07 -0.09 0.08 0.03 0.09 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.03 -0.01 -0.00 0.01 0.02 0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 0.02 0.02 0.01 -0.00 0.00 0.06 0.04 -0.00 -0.29 -0.41 0.12 0.06 -0.06 0.04 0.02 0.06 0.04 -0.18 -0.01 -0.03 -0.32 0.20 -0.21 0.11 -0.00 0.16 -0.16 -0.16 -0.20 0.53 -0.08 0.12 -0.04 -0.01 0.01 -0.00 0.04 0.00 -0.01 0.04 -0.00 0.03 0.00 -0.00 -0.01 0.01 -0.02 -0.04 0.04 -0.04 0.01 0.02 0.04 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.02 -0.01 0.00 -0.08 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.07 0.03 0.01 -0.01 0.01 -0.03 0.04 -0.04 0.06 0.06 0.06 -0.01 0.00 -0.03 0.02 0.02 0.02 0.03 0.04 0.00 -0.02 0.00 -0.00 0.05 0.04 0.01 0.00 -0.05 -0.02 -0.02 0.00 -0.00 0.03 -0.06 -0.02 -0.05 0.01 -0.03 0.01 0.02 0.04 0.00 -0.01 -0.01 0.05 0.04 0.04 0.01 -0.06 -0.07 -0.03 0.00 -0.01 -0.17 -0.37 0.11 -0.12 -0.19 0.04 -0.37 0.00 -0.19 -0.14 -0.23 -0.16 0.41 0.14 -0.08 -0.17 0.09 -0.09 0.04 -0.04 0.09 -0.09 -0.02 -0.10 0.19 -0.03 0.04 0.10 -0.00 0.02 0.00 -0.04 -0.04 -0.02 0.00 -0.00 -0.11 0.02 -0.01 0.09 -0.03 -0.04 0.13 -0.13 0.15 -0.04 -0.07 -0.13 -0.01 0.01 0.00 -0.04 0.01 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.07 -0.04 -0.03 0.00 0.01 -0.01 0.00 0.01 -0.01 0.02 -0.03 0.03 0.03 0.00 0.01 -0.03 0.01 -0.00 0.03 0.07 0.03 -0.01 -0.03 -0.00 -0.01 0.02 -0.02 -0.03 -0.02 -0.02 -0.00 -0.02 -0.00 -0.04 -0.05 -0.03 -0.03 0.02 0.02 0.06 -0.01 -0.01 -0.03 0.07 0.04 0.03 -0.03 0.06 0.02 0.04 -0.06 -0.01 -0.01 0.01 -0.06 -0.12 0.04 -0.01 0.02 0.04 0.01 0.00 0.00 -0.09 -0.21 0.07 -0.01 -0.05 0.01 -0.27 -0.02 -0.11 -0.11 -0.15 -0.12 0.28 0.15 -0.09 -0.07 0.03 -0.02 -0.02 -0.05 0.04 -0.03 0.04 -0.05 0.01 0.01 -0.01 -0.10 -0.03 0.07 0.01 0.03 -0.08 0.05 -0.05 0.01 0.07 -0.03 -0.06 -0.11 0.08 -0.04 0.06 0.60 -0.44 0.02 0.04 0.06 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.02 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.02 -0.10 0.04 0.00 0.01 0.01 -0.01 0.01 0.02 -0.00 -0.03 0.01 -0.03 -0.04 -0.00 -0.01 0.03 0.01 -0.00 -0.01 -0.06 -0.01 0.02 0.03 0.00 0.01 -0.03 0.02 0.03 0.03 0.02 -0.01 0.02 0.00 0.06 0.06 0.03 0.03 -0.03 -0.02 -0.06 0.01 0.01 0.04 -0.09 -0.04 -0.07 -0.04 0.03 0.03 0.10 -0.02 -0.00 -0.03 0.02 0.00 -0.10 0.12 0.01 -0.04 -0.05 -0.02 0.00 -0.01 0.05 0.14 -0.05 -0.01 0.04 -0.01 0.20 0.03 0.07 0.09 0.10 0.09 -0.19 -0.13 0.09 0.06 -0.02 0.02 0.02 0.05 -0.03 0.03 -0.04 0.05 -0.00 -0.02 0.02 0.14 0.02 -0.06 -0.00 -0.04 0.06 -0.05 0.04 -0.01 -0.12 0.03 0.00 0.13 -0.09 0.03 0.33 0.62 -0.37 -0.03 -0.04 -0.10 -0.03 0.00 0.00 -0.05 -0.01 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.02 -0.03 0.01 0.07 0.03 -0.00 0.00 0.00 -0.02 0.00 -0.00 0.01 -0.02 0.03 0.01 -0.03 0.02 -0.04 0.00 0.00 0.01 0.02 0.00 -0.03 -0.00 -0.01 0.02 0.03 -0.01 -0.00 0.01 -0.05 -0.01 -0.02 0.05 -0.01 -0.03 0.08 -0.01 0.01 -0.11 0.01 -0.02 0.05 0.01 0.02 -0.05 0.05 -0.03 0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.02 0.01 0.00 0.00 0.04 0.03 0.01 0.02 -0.01 0.01 -0.03 -0.06 0.00 0.01 -0.04 -0.00 0.02 0.10 -0.07 -0.03 -0.01 -0.01 -0.06 -0.01 -0.03 0.03 0.04 0.00 -0.02 0.04 -0.01 0.01 0.18 -0.50 -0.00 -0.26 0.54 0.03 0.14 -0.34 -0.03 0.06 0.04 0.01 -0.12 0.34 -0.06 0.02 -0.02 0.01 0.02 0.04 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.04 0.03 -0.02 0.01 -0.01 0.01 -0.10 -0.12 -0.11 -0.01 0.27 0.18 -0.01 0.02 0.02 -0.07 0.02 -0.00 0.05 0.05 -0.01 0.06 0.07 -0.01 0.03 -0.06 0.02 -0.06 0.01 -0.02 0.02 -0.07 0.03 -0.07 0.01 -0.02 0.00 -0.06 0.03 -0.02 0.06 -0.07 -0.01 0.04 -0.06 -0.01 -0.11 0.02 -0.02 0.04 0.00 0.06 -0.09 0.01 0.18 -0.09 -0.00 0.08 -0.05 -0.07 -0.04 0.01 -0.02 -0.01 -0.01 0.00 -0.08 -0.00 0.06 0.02 0.00 0.01 -0.02 -0.08 0.02 0.01 -0.01 0.01 -0.11 -0.05 -0.04 -0.12 -0.02 -0.09 0.05 0.04 -0.06 -0.03 0.01 0.02 0.04 -0.08 0.09 -0.12 0.02 -0.09 0.03 -0.01 -0.01 -0.06 -0.07 0.33 0.03 -0.02 -0.32 -0.00 0.10 0.17 -0.16 0.19 0.32 0.21 0.06 -0.28 -0.18 0.07 -0.04 0.01 0.04 0.13 0.01 -0.00 0.00 0.03 -0.00 0.02 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.03 -0.03 -0.02 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.11 -0.00 0.06 0.17 -0.04 0.14 -0.10 -0.12 -0.05 -0.03 0.03 -0.11 -0.15 -0.15 0.02 0.04 0.19 -0.08 0.02 -0.02 0.03 0.02 0.03 -0.00 0.03 0.04 0.01 0.05 0.05 0.04 -0.07 0.01 -0.01 0.01 -0.06 -0.02 -0.05 0.01 -0.00 -0.02 0.02 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.00 -0.00 0.20 0.15 0.02 0.16 -0.06 0.17 0.00 -0.14 -0.01 0.04 0.23 -0.04 -0.29 0.03 -0.07 -0.24 -0.10 -0.01 -0.32 -0.18 -0.05 -0.04 0.32 -0.20 -0.02 0.24 -0.13 0.05 0.01 0.04 -0.01 0.16 -0.05 -0.07 -0.02 0.10 -0.03 -0.03 -0.02 -0.00 -0.05 -0.03 0.08 0.01 -0.00 -0.01 -0.01 -0.03 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.02 0.02 -0.01 -0.05 -0.05 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.08 0.09 -0.05 0.10 0.21 -0.08 0.13 -0.10 0.09 -0.14 -0.03 -0.01 0.10 -0.12 0.07 -0.18 -0.04 -0.01 0.02 0.00 -0.04 0.00 -0.01 0.05 -0.03 -0.00 0.03 0.04 0.07 -0.02 -0.08 0.01 0.03 0.01 -0.01 -0.02 -0.06 0.02 -0.00 -0.02 0.02 0.02 0.01 -0.00 0.01 0.00 0.00 0.00 0.02 0.00 -0.02 -0.01 -0.00 -0.00 -0.04 -0.14 0.04 -0.07 -0.04 -0.04 -0.13 -0.22 -0.02 -0.25 -0.15 -0.14 0.07 0.12 -0.19 -0.08 0.06 0.02 0.24 -0.15 0.25 -0.32 -0.08 -0.18 0.15 -0.14 0.03 0.00 0.04 -0.16 -0.00 -0.00 0.26 -0.06 0.14 -0.16 0.01 -0.08 0.02 0.02 -0.05 0.12 0.07 -0.01 0.01 -0.00 -0.01 -0.04 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.09 0.17 -0.03 -0.11 -0.16 0.03 0.11 -0.10 0.01 -0.09 0.02 0.02 -0.04 0.09 -0.03 0.10 -0.03 -0.01 0.03 -0.06 0.01 0.00 0.01 -0.00 -0.02 0.00 -0.01 0.04 0.05 0.01 -0.08 0.02 0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.05 -0.15 0.15 0.12 0.15 0.00 -0.36 -0.29 -0.21 -0.21 -0.18 -0.11 0.23 0.12 -0.12 0.20 -0.03 0.06 -0.06 0.12 -0.11 0.26 0.02 0.20 -0.30 0.14 -0.12 -0.02 -0.02 0.04 0.02 0.05 0.06 -0.07 0.10 -0.03 0.00 -0.01 0.01 0.04 -0.00 0.01 0.02 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.03 0.01 0.04 -0.11 0.00 0.03 -0.08 0.00 -0.03 0.07 -0.00 -0.02 0.04 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.01 0.08 -0.00 0.03 0.03 0.01 -0.01 -0.07 0.07 0.00 -0.02 0.01 -0.02 -0.00 -0.02 -0.01 0.01 -0.02 0.02 0.01 0.00 -0.03 -0.21 0.63 -0.01 -0.18 0.45 0.02 0.14 -0.43 0.01 -0.00 -0.01 -0.00 0.08 -0.24 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.25 -0.16 0.09 0.04 -0.12 0.08 -0.02 -0.04 -0.03 0.01 0.07 0.05 0.01 -0.02 -0.03 -0.04 0.05 0.05 0.02 -0.01 0.02 -0.02 -0.02 -0.02 -0.04 -0.03 -0.01 0.01 0.05 0.02 0.00 0.03 -0.01 0.00 -0.02 0.00 0.00 -0.03 0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.02 0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.04 -0.04 0.07 0.00 -0.03 -0.03 0.34 0.45 -0.27 0.00 -0.01 -0.02 0.03 0.04 -0.03 -0.01 0.01 -0.05 0.02 -0.08 0.01 -0.10 -0.01 -0.10 0.16 0.06 -0.01 0.05 0.00 0.01 0.03 0.04 -0.02 0.01 -0.03 0.02 -0.05 -0.01 0.00 -0.03 0.03 -0.03 -0.00 -0.00 0.02 -0.00 0.02 0.10 0.04 0.05 0.08 0.03 0.02 -0.09 0.01 0.00 -0.05 0.32 0.39 -0.24 0.02 0.01 0.05 -0.12 0.01 -0.03 0.05 0.03 0.04 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 0.15 -0.03 0.04 -0.07 -0.13 -0.10 -0.02 0.08 0.10 -0.03 0.08 0.05 -0.07 -0.05 -0.11 -0.03 0.00 -0.06 0.01 0.01 0.01 -0.00 0.03 0.03 -0.01 0.04 0.05 0.02 -0.04 -0.00 0.01 -0.00 -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 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.25 0.22 0.26 0.01 -0.01 0.09 0.07 -0.22 0.07 0.07 0.21 -0.06 -0.09 0.20 -0.11 -0.17 0.28 -0.16 0.28 -0.02 0.24 0.17 -0.15 0.26 -0.30 -0.06 -0.04 -0.01 0.01 0.12 0.00 0.09 0.01 -0.04 0.02 -0.08 -0.02 0.01 -0.02 -0.05 -0.06 0.04 -0.00 0.00 0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -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 -0.01 -0.00 -0.01 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 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.01 -0.03 0.07 0.00 -0.03 0.08 0.00 0.04 -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 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.02 0.02 -0.00 -0.02 0.01 0.00 -0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.01 -0.02 0.02 0.01 0.00 -0.02 -0.08 0.25 -0.00 0.17 -0.43 0.03 0.17 -0.46 -0.00 0.00 0.00 -0.02 -0.23 0.63 -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 0.01 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 0.11 0.00 0.01 -0.00 -0.04 -0.03 -0.10 -0.06 0.06 -0.02 0.07 -0.02 -0.02 0.04 0.01 -0.02 0.01 0.02 -0.01 0.00 -0.03 0.00 0.00 0.01 0.02 0.02 0.02 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.08 -0.10 -0.21 -0.11 0.01 -0.32 0.20 0.07 0.20 -0.21 0.23 -0.29 0.30 -0.30 0.30 0.29 -0.10 0.13 0.04 0.12 -0.14 -0.09 -0.11 -0.06 0.19 -0.11 0.10 -0.01 0.07 0.00 -0.03 0.05 -0.01 0.01 -0.04 -0.02 0.01 0.01 -0.01 -0.06 -0.05 0.01 0.01 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.07 0.11 -0.07 -0.01 -0.01 -0.01 0.02 0.01 0.01 0.11 -0.06 -0.03 -0.06 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 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.06 -0.05 -0.09 -0.05 0.06 0.05 0.15 -0.20 -0.24 0.14 -0.17 0.08 -0.08 -0.02 -0.08 0.00 -0.01 0.02 0.01 0.00 0.02 0.01 -0.00 0.00 0.02 -0.03 0.03 -0.01 0.01 -0.01 -0.00 0.02 -0.00 0.02 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 0.02 -0.01 0.07 0.01 0.02 0.00 0.38 -0.27 -0.23 0.15 -0.16 0.08 -0.05 0.03 0.08 -0.41 0.05 -0.12 0.01 0.06 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 -0.02 -0.00 -0.00 0.02 -0.00 0.02 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.11 -0.04 -0.03 -0.02 0.09 -0.06 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.02 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 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.03 0.04 0.04 0.00 0.06 -0.01 -0.04 -0.03 0.06 -0.09 0.08 -0.03 0.05 -0.05 0.43 0.08 0.20 0.47 0.04 0.22 0.21 -0.29 0.29 0.18 -0.30 0.30 0.02 -0.04 -0.00 0.03 -0.02 -0.01 -0.02 0.00 -0.00 0.01 0.01 -0.00 0.03 0.02 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 0.01 0.00 -0.03 -0.02 0.00 0.01 0.01 -0.01 0.01 0.01 0.02 0.02 -0.01 -0.00 -0.00 0.01 0.02 0.01 0.01 0.03 -0.10 0.05 -0.03 -0.00 -0.02 0.01 -0.01 0.00 -0.03 0.03 -0.00 -0.00 0.02 0.01 0.00 0.07 0.03 -0.08 -0.01 -0.01 0.13 -0.00 0.00 -0.00 -0.10 -0.03 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.02 -0.02 -0.02 -0.03 0.02 -0.01 -0.01 0.01 0.01 0.03 -0.01 0.05 0.01 0.02 0.02 -0.20 0.05 -0.09 -0.23 0.43 -0.36 -0.24 0.22 -0.24 0.12 0.03 0.05 0.14 0.01 0.07 0.01 0.01 0.00 -0.03 0.02 -0.02 -0.20 0.25 0.09 -0.26 0.13 0.05 0.16 0.10 0.04 -0.04 -0.03 -0.04 -0.16 -0.15 -0.07 0.02 -0.02 -0.02 -0.02 0.02 -0.01 -0.03 -0.01 -0.04 0.05 -0.01 0.01 -0.04 -0.02 -0.03 0.02 0.01 -0.00 0.02 -0.03 0.02 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.02 0.03 -0.01 0.01 0.01 0.00 -0.01 0.01 0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.01 0.02 -0.04 -0.08 -0.01 -0.06 0.04 -0.07 0.07 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.00 -0.01 0.05 -0.04 -0.03 -0.06 0.04 -0.02 -0.02 0.03 0.03 -0.03 -0.08 0.05 0.08 0.11 0.00 0.04 0.02 0.03 0.12 -0.12 0.16 0.02 -0.12 0.10 0.26 0.09 0.09 0.44 0.03 0.24 -0.21 0.31 -0.31 -0.13 0.25 -0.22 0.05 -0.03 -0.03 0.03 -0.02 -0.01 -0.02 -0.03 -0.01 -0.02 -0.00 -0.03 0.02 0.01 0.00 0.16 -0.06 -0.03 -0.06 0.04 -0.02 -0.09 -0.03 -0.13 0.21 -0.03 0.06 -0.12 -0.06 -0.10 -0.03 -0.01 0.00 -0.04 0.06 -0.04 0.01 -0.02 -0.01 0.02 0.02 0.01 -0.00 -0.03 -0.05 0.01 -0.02 -0.03 0.01 -0.00 0.01 0.00 0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.02 -0.05 -0.01 -0.04 0.03 -0.05 0.05 -0.00 0.02 0.00 0.02 0.01 0.00 -0.02 0.00 0.00 -0.03 -0.02 -0.01 0.04 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 0.04 0.04 0.04 0.00 0.02 -0.09 0.07 0.06 0.12 -0.07 0.05 0.04 -0.05 -0.06 -0.01 -0.08 0.07 0.06 0.08 0.01 -0.00 0.03 0.00 0.04 -0.01 0.04 -0.03 -0.04 0.02 0.16 0.07 0.05 0.30 0.01 0.18 -0.15 0.24 -0.23 -0.13 0.21 -0.19 -0.06 0.04 -0.00 -0.09 0.03 0.01 0.06 0.07 0.03 0.03 -0.00 0.06 -0.01 -0.02 -0.01 -0.29 0.11 0.06 0.12 -0.08 0.05 0.17 0.05 0.24 -0.39 0.05 -0.11 0.22 0.11 0.19 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 -0.04 -0.01 -0.02 0.02 -0.00 -0.02 -0.02 0.02 -0.02 0.06 -0.05 0.11 -0.04 0.00 0.00 0.02 -0.01 0.04 0.02 -0.04 -0.01 -0.01 -0.02 -0.01 0.02 -0.04 -0.02 0.08 0.02 0.01 -0.10 -0.01 -0.00 -0.00 0.07 0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.22 -0.22 -0.05 -0.03 -0.11 0.09 -0.00 0.03 -0.27 0.29 -0.36 -0.08 0.37 -0.30 0.18 -0.04 0.09 0.04 0.04 -0.03 -0.13 0.12 -0.17 0.04 0.08 -0.06 0.12 -0.15 0.02 0.24 -0.10 -0.04 -0.14 -0.15 -0.08 0.01 0.01 0.03 0.08 0.10 0.05 -0.03 0.01 0.00 -0.00 -0.01 0.01 0.02 0.01 0.03 -0.05 0.01 -0.01 0.02 0.01 0.02 -0.04 -0.02 0.01 -0.05 0.06 -0.04 0.01 -0.04 -0.03 0.04 0.05 0.04 -0.05 0.02 0.01 0.03 -0.07 -0.09 0.02 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 0.01 0.07 0.02 0.01 -0.04 -0.05 -0.02 -0.03 -0.04 -0.01 0.02 0.01 0.00 -0.00 0.04 0.01 -0.03 -0.02 -0.02 -0.09 0.06 0.03 -0.01 0.04 0.04 0.00 -0.02 -0.03 0.15 -0.09 0.02 0.00 0.06 0.10 0.02 -0.02 0.03 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.07 0.13 -0.11 -0.06 0.03 -0.04 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.03 0.01 -0.02 -0.03 -0.07 -0.01 -0.05 -0.02 -0.01 0.03 0.08 0.03 0.05 0.03 0.08 0.08 0.06 0.03 0.43 -0.10 0.01 0.18 -0.08 0.05 -0.15 -0.07 -0.28 0.56 -0.07 0.16 -0.22 -0.15 -0.22 0.01 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 0.01 0.02 0.07 0.01 0.02 -0.02 0.01 0.03 -0.03 0.00 0.05 0.00 -0.06 -0.06 0.02 0.00 -0.02 -0.01 -0.01 -0.03 -0.00 0.11 -0.00 0.03 0.01 0.01 -0.01 -0.07 -0.02 0.01 -0.06 -0.02 -0.02 -0.02 -0.01 0.00 0.09 0.03 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.04 0.03 -0.02 0.00 -0.01 -0.02 -0.01 -0.26 0.22 0.05 0.06 0.08 -0.35 0.21 -0.09 -0.04 0.43 -0.19 -0.21 -0.24 0.14 -0.10 0.06 -0.06 0.07 -0.02 0.08 0.08 -0.05 0.10 -0.10 -0.02 -0.01 0.17 -0.23 -0.09 0.14 -0.17 -0.07 -0.04 -0.10 -0.05 -0.05 0.01 -0.01 0.18 0.13 0.06 -0.00 0.01 0.01 -0.05 0.03 -0.04 0.03 0.01 0.06 -0.11 0.01 -0.03 0.05 0.03 0.05 -0.02 -0.01 0.01 -0.02 0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.03 -0.01 -0.03 0.01 0.04 -0.02 -0.04 -0.04 0.03 -0.02 0.02 0.02 0.02 -0.03 -0.01 0.03 -0.01 -0.00 -0.01 0.03 -0.01 -0.04 -0.02 -0.03 -0.07 -0.03 -0.01 0.05 0.07 0.03 0.07 0.04 0.02 -0.03 -0.03 -0.01 -0.01 -0.02 -0.01 0.05 0.00 0.01 0.04 -0.02 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.07 -0.02 0.02 -0.01 0.01 0.02 -0.21 -0.37 0.11 0.27 0.40 -0.05 0.05 0.19 0.06 0.10 0.03 0.07 -0.13 0.05 -0.07 -0.24 -0.00 -0.12 0.13 -0.02 0.11 -0.05 0.06 -0.06 0.09 -0.15 0.15 0.02 0.11 0.01 0.20 -0.06 -0.03 -0.08 -0.28 -0.10 0.03 -0.01 0.01 -0.17 -0.07 -0.03 -0.17 0.03 -0.02 0.13 0.00 0.08 -0.03 -0.01 -0.06 0.11 -0.01 0.03 -0.06 -0.03 -0.05 0.02 0.01 -0.01 0.02 -0.02 0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.02 0.01 0.02 0.03 0.04 -0.00 -0.02 -0.05 0.00 -0.06 -0.02 -0.05 0.01 -0.01 0.04 0.02 0.00 0.00 -0.01 0.02 0.00 0.03 0.01 0.03 0.06 0.02 0.01 -0.04 -0.05 -0.02 -0.05 -0.03 -0.01 0.02 0.02 0.01 0.01 0.02 0.01 -0.04 -0.00 -0.01 -0.04 0.02 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.06 0.02 -0.02 0.01 -0.01 -0.02 -0.14 -0.23 0.05 0.23 0.38 -0.16 0.44 -0.09 0.17 -0.01 -0.11 0.03 -0.06 0.24 -0.20 -0.20 -0.03 -0.09 0.10 0.00 0.05 -0.10 0.09 -0.12 0.12 -0.15 0.15 -0.01 -0.09 -0.01 -0.15 0.05 0.02 0.06 0.19 0.07 0.02 0.02 -0.01 0.11 0.05 0.02 0.16 -0.03 0.02 -0.11 0.01 -0.07 0.03 0.01 0.05 -0.09 0.01 -0.02 0.05 0.02 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.05 0.02 -0.02 -0.04 0.01 0.05 0.00 0.02 -0.00 0.03 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.22 0.45 -0.17 0.24 0.39 -0.14 -0.35 -0.09 -0.16 -0.06 0.09 -0.09 0.14 -0.16 0.16 -0.22 -0.04 -0.09 0.17 0.02 0.08 -0.11 0.14 -0.15 0.13 -0.17 0.16 -0.02 0.00 0.00 -0.03 0.02 0.01 0.01 0.05 0.02 -0.03 -0.01 0.01 0.03 0.01 0.00 0.02 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.03 0.07 -0.04 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -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 -0.01 -0.00 0.01 -0.00 0.00 -0.04 -0.11 0.08 0.01 0.01 0.00 0.00 0.00 -0.01 0.02 -0.02 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.03 -0.01 -0.02 0.00 0.00 0.01 0.03 0.01 -0.03 -0.01 -0.01 0.04 0.01 0.00 -0.07 0.03 -0.02 0.01 -0.00 0.01 0.65 0.04 0.04 0.07 0.25 -0.19 -0.55 0.26 -0.24 0.02 0.01 -0.01 0.02 -0.02 0.01 0.01 -0.06 -0.04 0.07 0.07 0.05 -0.03 -0.00 -0.05 0.05 0.01 0.04 -0.02 0.00 -0.02 -0.00 0.01 0.01 0.02 0.02 0.04 0.02 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.05 -0.03 0.03 -0.05 -0.02 -0.00 0.06 0.03 0.07 0.03 0.02 -0.00 -0.03 -0.01 -0.04 -0.00 -0.00 -0.06 -0.02 -0.01 -0.11 0.04 0.00 0.03 0.00 0.02 -0.06 0.02 0.01 -0.07 0.02 -0.02 0.04 -0.04 0.00 -0.07 -0.06 -0.02 0.00 -0.01 0.06 -0.15 0.13 -0.04 0.08 0.04 0.05 -0.01 -0.04 0.03 -0.00 0.00 0.00 -0.00 -0.02 0.02 0.01 0.00 0.01 -0.01 0.02 -0.02 -0.21 0.25 0.05 0.13 -0.00 -0.02 -0.06 -0.27 -0.10 0.25 0.08 0.10 -0.32 -0.08 -0.04 0.58 -0.11 0.07 -0.16 -0.01 -0.12 0.18 0.02 0.10 -0.08 0.06 -0.06 0.00 0.08 0.03 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.02 -0.01 0.01 0.01 0.01 0.04 -0.00 0.01 0.01 -0.01 -0.01 -0.09 0.05 -0.03 0.01 -0.00 -0.02 -0.03 -0.03 0.10 0.12 0.01 -0.04 0.00 -0.01 -0.00 -0.01 0.02 0.03 0.03 -0.09 -0.05 0.00 -0.01 0.00 0.04 -0.05 -0.01 -0.00 0.03 0.01 -0.02 0.07 0.02 -0.02 -0.02 -0.01 -0.02 -0.00 -0.01 -0.02 0.03 0.04 -0.00 0.02 0.04 0.01 -0.02 -0.03 -0.01 -0.01 -0.03 -0.02 0.00 -0.01 -0.33 -0.17 -0.16 0.04 0.01 0.03 -0.27 -0.03 -0.00 0.26 0.25 0.07 -0.06 -0.00 0.00 0.10 0.03 0.04 -0.11 -0.05 -0.02 -0.05 -0.06 -0.01 0.07 0.05 -0.02 0.18 -0.16 -0.07 -0.07 0.09 0.03 0.08 0.54 0.20 0.05 0.01 0.02 -0.15 -0.05 -0.03 -0.22 0.03 -0.05 -0.06 -0.02 -0.08 -0.03 -0.00 -0.02 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.04 0.03 -0.02 -0.03 -0.03 -0.11 0.01 -0.05 -0.03 0.03 0.02 -0.02 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 0.03 0.00 -0.01 0.02 -0.02 -0.03 -0.02 0.03 0.04 0.00 -0.01 -0.01 -0.03 0.01 0.00 0.03 -0.02 -0.01 -0.01 0.01 0.00 -0.01 0.03 0.01 0.00 -0.01 -0.00 0.05 0.00 0.02 0.04 -0.09 -0.11 0.00 -0.07 -0.10 -0.03 0.06 0.08 0.04 0.03 0.07 0.07 -0.01 0.02 -0.07 -0.03 -0.03 0.07 0.10 -0.03 -0.06 -0.02 -0.00 0.05 0.06 0.01 -0.01 -0.00 0.00 0.12 0.13 0.02 -0.14 -0.10 0.02 -0.05 -0.17 0.04 0.08 0.12 -0.07 0.17 -0.14 -0.04 -0.01 0.00 0.00 0.05 0.27 0.10 -0.09 -0.04 -0.05 -0.03 -0.02 -0.01 0.68 -0.09 0.16 0.19 0.07 0.21 0.09 0.01 0.07 0.01 0.02 0.01 0.06 0.04 0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.02 -0.01 0.02 0.02 -0.01 -0.01 -0.01 0.02 0.02 -0.00 -0.01 -0.06 0.06 0.10 0.05 -0.06 -0.09 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 0.02 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.02 -0.01 0.01 0.02 0.01 0.00 0.02 0.02 -0.00 0.00 -0.08 -0.07 -0.01 -0.18 -0.30 0.09 -0.02 0.00 0.01 0.04 0.04 0.02 -0.03 0.01 -0.01 -0.25 -0.34 -0.01 0.31 0.28 -0.09 0.10 0.41 -0.11 -0.16 -0.34 0.21 0.08 -0.06 -0.02 0.01 -0.00 -0.00 0.03 0.16 0.06 -0.01 -0.01 0.00 -0.07 -0.02 -0.01 0.14 -0.02 0.03 0.04 0.01 0.05 0.02 0.00 0.01 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.05 0.03 -0.01 0.01 -0.00 -0.02 -0.01 -0.02 0.04 0.06 0.01 -0.03 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 -0.03 -0.01 0.02 0.01 0.00 -0.02 -0.00 0.00 -0.03 0.03 0.01 -0.01 -0.03 -0.01 0.06 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.16 -0.09 -0.06 -0.01 -0.04 0.01 -0.11 -0.11 0.00 0.14 0.09 0.06 -0.02 0.00 -0.01 0.03 -0.03 0.02 -0.02 0.02 -0.03 -0.02 0.02 -0.03 0.02 -0.02 0.02 -0.21 0.17 0.03 -0.33 0.28 0.10 -0.10 -0.41 -0.15 -0.04 -0.01 -0.01 0.61 0.16 0.08 0.04 -0.00 0.01 0.03 0.01 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.06 0.07 0.15 -0.10 -0.03 0.02 -0.02 -0.02 0.03 -0.01 -0.05 -0.01 0.11 -0.02 -0.11 -0.04 0.03 -0.01 0.07 0.05 0.03 0.02 0.00 -0.03 0.02 0.00 0.02 -0.04 -0.01 0.03 -0.02 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.03 0.06 0.20 -0.11 0.04 -0.12 -0.44 -0.09 0.15 0.01 0.10 -0.14 0.03 -0.07 0.20 0.09 0.06 -0.13 0.21 -0.28 -0.31 -0.07 -0.21 0.03 -0.17 0.13 -0.06 0.05 0.02 0.20 -0.21 -0.07 0.00 -0.14 -0.05 -0.09 -0.02 -0.00 -0.22 -0.04 -0.02 -0.01 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 -0.01 -0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.06 -0.04 -0.01 0.09 -0.04 0.10 0.00 0.05 -0.02 -0.06 -0.02 0.02 -0.00 0.11 -0.06 -0.11 -0.06 -0.01 0.01 -0.07 -0.05 -0.05 -0.02 -0.01 0.03 -0.01 -0.00 -0.02 0.05 0.02 -0.02 0.02 0.01 0.03 -0.02 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.02 -0.16 0.27 -0.04 0.42 0.03 0.51 -0.01 -0.11 -0.11 -0.02 -0.00 -0.01 -0.00 0.02 0.20 -0.05 0.01 0.16 -0.13 -0.16 -0.11 -0.05 -0.16 -0.11 0.04 0.10 -0.07 -0.03 -0.19 0.20 0.06 -0.00 0.13 0.04 0.12 0.01 0.01 0.23 0.04 0.02 0.02 -0.01 -0.01 -0.04 -0.02 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.06 0.03 0.01 0.04 0.02 0.04 -0.04 -0.00 -0.02 0.01 -0.04 -0.11 -0.02 0.04 0.10 -0.02 -0.03 0.03 0.03 0.02 0.02 0.00 0.01 -0.03 -0.02 -0.02 -0.02 0.06 -0.01 -0.01 0.18 -0.02 0.00 -0.06 -0.02 -0.01 0.05 -0.04 -0.01 0.00 0.01 0.00 -0.05 0.04 0.01 -0.12 0.01 -0.01 0.06 -0.07 -0.08 -0.03 -0.03 -0.06 0.08 0.02 0.07 0.01 0.01 0.02 -0.03 0.00 -0.01 -0.12 -0.01 -0.40 0.16 0.03 0.45 0.10 -0.06 0.08 -0.02 0.05 -0.05 0.15 -0.01 0.04 -0.07 0.09 -0.05 0.05 0.00 0.05 0.03 -0.03 0.06 -0.13 0.02 -0.04 -0.35 0.22 0.06 0.02 -0.01 0.00 -0.01 -0.03 -0.01 -0.04 0.04 0.01 -0.31 -0.03 -0.02 -0.14 0.07 0.05 0.16 0.06 0.17 -0.02 0.01 -0.00 -0.02 0.00 -0.01 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.01 -0.04 -0.03 -0.04 -0.01 -0.04 0.03 0.00 0.02 -0.00 -0.03 -0.11 -0.03 0.04 0.08 -0.01 -0.06 0.02 0.04 0.03 0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.02 -0.02 0.05 0.03 -0.06 0.07 0.02 0.01 0.01 0.00 -0.02 -0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.14 -0.01 0.01 -0.04 0.06 0.07 0.03 0.02 0.05 -0.07 -0.02 -0.06 -0.00 -0.01 -0.01 0.03 -0.00 0.01 -0.15 -0.01 -0.42 0.11 0.03 0.39 0.14 -0.40 0.09 -0.01 0.08 -0.07 0.16 0.00 0.03 -0.07 0.06 -0.04 0.05 -0.02 0.07 0.06 -0.02 0.07 -0.10 0.02 -0.03 0.01 0.01 0.01 0.21 -0.23 -0.08 -0.00 -0.08 -0.03 -0.29 -0.07 -0.09 0.09 -0.00 0.01 0.10 -0.06 -0.05 -0.14 -0.06 -0.14 0.02 -0.01 0.00 0.02 -0.00 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.03 0.10 0.02 0.02 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.05 -0.01 0.02 0.02 -0.00 -0.03 0.00 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.12 0.06 -0.15 -0.09 -0.04 -0.05 0.08 0.02 -0.09 0.07 0.02 0.01 -0.08 -0.03 0.09 0.00 0.01 -0.11 0.00 -0.01 0.02 -0.03 -0.04 -0.02 -0.01 -0.03 0.04 0.01 0.03 -0.01 0.00 0.00 -0.02 0.00 -0.00 -0.04 0.00 -0.14 0.06 0.02 0.17 0.05 -0.46 0.03 -0.03 0.09 -0.09 0.06 -0.03 0.04 -0.02 0.01 -0.01 0.01 -0.01 0.02 0.01 0.01 0.02 -0.01 0.01 -0.01 0.35 -0.26 -0.05 -0.01 0.00 -0.01 0.04 0.02 0.01 0.58 0.07 0.15 0.04 -0.02 -0.00 -0.04 0.03 0.03 0.06 -0.00 0.09 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.03 -0.04 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 0.19 -0.01 -0.01 -0.06 0.03 0.01 -0.04 -0.01 -0.00 -0.07 0.04 0.02 -0.05 -0.06 -0.03 0.03 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.07 -0.01 0.17 0.04 -0.01 0.04 -0.02 0.17 0.02 0.02 0.04 0.01 0.01 -0.04 0.02 0.03 -0.03 0.02 -0.03 0.00 -0.01 -0.02 0.02 -0.02 0.04 -0.01 0.01 -0.50 0.38 0.10 0.40 -0.36 -0.14 0.02 0.30 0.11 0.03 -0.02 -0.00 0.17 0.02 0.02 -0.03 0.01 -0.00 -0.03 -0.01 -0.01 -0.00 -0.01 -0.03 0.03 -0.00 0.01 -0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.06 -0.02 -0.01 0.09 0.13 0.24 0.03 -0.09 -0.11 0.00 0.00 0.01 0.00 0.00 0.02 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.06 0.08 0.03 0.03 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.02 -0.03 -0.01 0.04 -0.01 0.00 -0.12 -0.02 -0.08 -0.07 0.04 0.02 0.04 -0.02 -0.01 -0.02 -0.03 -0.05 -0.05 -0.06 -0.12 -0.06 0.01 -0.10 -0.05 0.01 -0.08 -0.01 0.03 -0.01 0.01 -0.03 0.02 -0.02 0.02 -0.02 -0.02 0.02 -0.01 0.02 0.00 0.00 0.01 -0.02 0.01 -0.03 0.00 -0.01 -0.06 0.07 0.02 0.17 -0.17 -0.06 0.00 0.02 0.01 -0.04 -0.03 -0.04 0.19 0.02 0.02 0.37 -0.09 0.02 0.36 0.14 0.24 0.03 0.07 0.32 -0.31 -0.00 -0.13 0.12 0.23 0.19 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.02 0.00 -0.01 -0.01 -0.02 -0.02 -0.10 -0.02 -0.02 -0.11 -0.02 -0.01 0.03 0.00 0.02 0.02 -0.01 0.00 0.03 -0.00 0.02 0.03 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.32 -0.00 0.55 0.31 -0.04 0.52 0.09 -0.02 0.08 -0.04 0.13 -0.05 0.17 -0.02 0.04 0.11 -0.13 0.08 -0.13 -0.02 -0.01 -0.05 0.12 -0.05 0.18 -0.02 0.05 0.05 -0.04 -0.01 -0.07 0.07 0.02 -0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.02 -0.00 -0.00 0.04 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.03 -0.03 -0.00 -0.01 0.01 0.03 0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 0.16 -0.02 0.01 0.01 -0.05 -0.07 0.01 0.03 0.04 -0.02 0.00 -0.01 -0.01 -0.00 -0.02 0.02 -0.07 -0.01 0.01 0.02 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.17 -0.01 -0.01 -0.08 0.25 0.10 0.12 -0.07 -0.02 0.04 -0.08 -0.03 0.04 0.11 0.04 -0.13 -0.09 -0.04 -0.18 -0.00 -0.03 0.04 -0.03 -0.02 -0.04 -0.03 -0.05 0.03 0.03 0.06 -0.01 0.02 -0.00 -0.01 0.03 0.04 0.01 0.03 0.00 0.06 0.00 0.09 -0.01 0.07 -0.01 0.03 -0.00 0.04 0.07 0.07 -0.04 0.02 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 0.03 -0.00 0.04 -0.00 0.00 -0.06 0.09 0.02 0.25 -0.26 -0.10 -0.00 -0.13 -0.05 0.39 0.01 0.06 0.47 0.07 0.05 -0.19 0.08 0.04 -0.01 -0.16 0.18 -0.02 -0.02 -0.14 0.10 0.00 0.04 -0.06 -0.10 -0.08 -0.02 0.01 0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.04 0.05 0.00 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.03 0.02 -0.02 -0.01 0.01 0.01 -0.05 -0.09 0.00 0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.00 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.07 0.02 0.00 0.44 0.84 -0.27 -0.00 -0.01 -0.05 0.01 0.01 0.01 -0.02 -0.03 -0.03 0.01 0.01 0.01 -0.01 0.02 0.03 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.04 -0.06 0.14 -0.01 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.00 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.04 0.00 0.01 -0.02 0.02 0.03 -0.12 0.01 -0.02 -0.02 0.02 0.01 -0.06 -0.00 -0.14 0.01 0.01 0.01 0.01 -0.01 0.02 0.00 0.00 -0.00 0.01 -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 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.03 0.01 -0.00 0.01 0.00 -0.08 -0.00 -0.02 -0.05 -0.01 -0.00 -0.11 0.04 0.00 0.46 -0.30 0.77 -0.01 -0.02 -0.07 -0.02 0.01 0.01 -0.03 -0.05 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.05 -0.03 -0.02 0.01 0.01 0.04 -0.03 0.23 0.02 -0.02 -0.03 -0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.08 0.00 -0.02 -0.00 -0.00 0.06 -0.04 -0.02 0.03 0.01 0.00 -0.02 0.03 0.01 -0.04 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 -0.16 0.15 -0.04 0.01 -0.06 0.05 -0.78 0.06 -0.15 -0.04 -0.18 -0.20 -0.22 0.17 -0.03 0.03 -0.02 0.02 0.00 0.01 0.00 -0.03 0.01 -0.05 0.00 -0.01 -0.13 0.11 0.05 -0.04 0.07 0.03 -0.00 0.11 0.04 0.07 0.01 0.02 0.09 0.03 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.03 -0.02 -0.01 0.00 0.00 0.01 0.03 0.05 -0.15 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.05 0.02 -0.01 0.09 0.11 0.19 0.21 -0.14 -0.11 -0.10 -0.06 -0.13 -0.07 0.01 -0.04 -0.04 0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 -0.01 -0.03 0.02 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.14 0.03 0.02 0.01 0.01 0.00 0.17 -0.14 -0.13 0.49 0.13 0.54 0.15 0.07 0.11 0.25 -0.08 0.02 0.14 0.02 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.13 0.06 0.03 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 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 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.03 0.01 -0.00 0.06 0.02 0.06 0.00 -0.01 -0.01 0.06 -0.06 -0.06 0.00 -0.00 -0.00 0.16 -0.04 0.02 0.01 0.00 0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.03 0.03 0.01 -0.01 0.01 0.01 0.01 0.02 0.01 0.14 0.02 0.03 0.02 0.01 0.01 -0.07 -0.04 -0.08 0.02 0.01 0.02 -0.52 -0.15 0.10 -0.51 0.11 -0.04 -0.36 0.32 -0.29 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.12 -0.06 0.00 -0.12 0.01 0.02 -0.02 0.02 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.22 -0.00 -0.41 0.21 -0.02 0.41 -0.06 0.02 -0.05 -0.14 -0.30 -0.15 -0.39 -0.06 0.09 0.09 -0.27 0.03 -0.10 -0.11 0.18 0.07 0.16 0.07 0.24 0.02 -0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.03 -0.05 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.08 0.48 0.03 0.15 0.22 -0.42 0.22 0.37 0.26 0.45 0.09 -0.19 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 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 0.00 0.16 -0.04 0.02 -0.06 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.01 0.01 0.01 0.00 -0.02 0.02 0.01 -0.03 0.01 0.00 0.00 0.01 0.00 0.03 -0.01 -0.00 0.02 -0.01 -0.00 -0.10 0.03 0.00 0.06 -0.06 -0.07 -0.04 0.04 0.04 -0.00 0.02 0.02 0.02 0.03 0.05 0.01 -0.01 0.02 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.08 -0.08 -0.02 0.04 -0.05 -0.02 -0.02 -0.08 -0.03 -0.19 -0.03 -0.04 -0.04 -0.03 -0.01 0.08 0.03 0.07 0.04 0.03 0.08 -0.19 -0.13 -0.38 -0.56 0.10 0.01 -0.28 -0.29 -0.40 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 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 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 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 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.23 -0.19 -0.44 0.15 0.56 -0.40 0.19 0.26 0.34 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.07 -0.02 -0.00 -0.03 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.03 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.13 -0.06 -0.02 -0.09 0.10 0.04 -0.08 -0.05 -0.02 -0.04 -0.07 -0.03 -0.02 0.16 0.06 0.16 -0.01 0.00 -0.04 -0.01 -0.02 0.02 0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.02 0.04 -0.00 0.00 -0.02 -0.01 0.01 0.02 -0.03 -0.02 -0.05 -0.06 -0.04 0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.16 -0.05 -0.19 0.03 0.01 -0.19 -0.55 -0.21 -0.11 -0.04 -0.03 -0.56 -0.22 -0.10 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.02 0.10 0.08 -0.03 0.01 0.02 0.08 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 0.05 -0.02 0.07 -0.01 0.00 -0.02 -0.01 0.06 -0.02 -0.10 -0.07 -0.02 -0.00 0.02 -0.02 -0.03 -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 0.01 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 -0.07 -0.02 -0.17 0.03 -0.01 0.07 0.00 -0.10 -0.02 0.27 0.48 0.34 0.53 0.09 -0.26 0.04 -0.18 -0.01 -0.05 -0.08 0.16 0.09 0.14 0.11 0.18 0.03 -0.07 0.00 -0.01 0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.04 -0.00 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.01 0.00 -0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 -0.06 -0.00 -0.03 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.05 0.11 0.04 -0.11 -0.01 -0.01 0.06 -0.09 -0.03 0.09 -0.07 -0.02 -0.04 0.04 0.01 -0.01 0.03 0.01 0.03 0.01 0.02 0.05 -0.07 -0.08 0.09 0.09 0.18 -0.06 0.02 0.00 -0.04 -0.04 -0.09 0.01 0.02 0.03 -0.02 0.02 -0.05 -0.00 0.00 -0.01 -0.01 0.03 -0.01 0.03 0.02 0.02 0.02 0.02 -0.02 0.00 -0.03 -0.00 -0.01 -0.02 0.03 0.01 0.02 0.01 0.02 0.00 -0.01 -0.30 0.22 0.06 -0.29 0.25 0.09 -0.05 0.03 0.01 0.40 0.04 0.07 -0.18 -0.01 -0.01 0.15 -0.03 0.02 0.14 0.00 0.09 0.10 -0.06 -0.29 -0.29 0.10 -0.02 0.02 -0.28 -0.11 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.04 0.03 0.03 0.01 0.01 -0.08 0.00 -0.04 -0.09 0.01 -0.03 -0.00 -0.00 -0.02 0.02 -0.00 0.03 0.00 0.04 0.02 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 -0.01 -0.00 -0.03 -0.14 -0.05 0.13 0.03 0.02 -0.10 0.10 0.03 -0.11 0.08 0.03 0.06 -0.01 0.00 0.01 -0.05 -0.02 -0.09 -0.03 -0.03 0.09 -0.09 -0.10 0.16 0.11 0.24 -0.00 -0.00 -0.00 -0.07 -0.05 -0.13 0.03 0.00 0.02 0.04 -0.02 0.09 -0.02 -0.00 -0.06 0.01 -0.02 0.02 -0.03 -0.02 -0.03 -0.03 -0.02 0.03 0.02 -0.11 -0.02 -0.03 -0.04 0.10 0.04 0.07 0.06 0.08 0.01 -0.05 0.36 -0.29 -0.08 0.35 -0.30 -0.12 0.04 -0.15 -0.05 -0.25 -0.03 -0.04 0.18 -0.02 0.00 0.02 -0.01 -0.01 0.24 0.01 0.17 0.04 -0.02 -0.05 -0.06 0.02 0.01 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.05 -0.01 0.06 -0.07 0.02 -0.10 0.00 0.03 -0.01 -0.03 -0.03 -0.01 -0.00 -0.09 0.06 0.09 0.06 0.02 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.07 -0.01 -0.16 0.10 0.00 0.25 -0.01 -0.03 -0.02 0.05 0.11 0.08 0.11 0.01 -0.07 -0.07 0.42 0.07 0.12 0.18 -0.41 -0.20 -0.32 -0.27 -0.38 -0.06 0.21 0.03 -0.02 -0.00 0.02 -0.02 -0.01 0.00 -0.01 -0.00 -0.03 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.03 0.01 0.02 0.01 -0.00 -0.02 -0.02 0.01 -0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.10 -0.06 -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 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.02 -0.02 -0.04 0.04 0.01 0.04 -0.05 0.04 0.04 -0.02 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.03 0.03 0.01 -0.03 0.03 0.01 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.02 0.00 0.00 0.02 0.03 0.06 0.05 0.01 0.04 -0.51 -0.01 0.39 0.36 -0.11 0.05 -0.32 0.55 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 0.14 0.02 0.03 -0.10 0.01 -0.03 -0.05 0.02 0.00 -0.00 0.00 -0.01 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 -0.06 0.01 0.00 -0.07 0.02 -0.00 0.07 0.02 0.01 0.05 -0.07 -0.02 -0.07 -0.12 -0.05 0.06 0.08 0.03 -0.04 -0.04 -0.04 -0.16 0.02 -0.04 0.14 -0.04 0.01 0.19 -0.02 0.05 -0.03 0.00 -0.02 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.03 0.00 0.01 -0.01 -0.04 -0.01 -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.01 -0.07 0.15 0.05 -0.25 0.18 0.06 0.01 0.27 0.10 -0.63 -0.07 -0.11 -0.16 0.04 0.01 -0.31 0.10 0.01 0.13 0.03 0.14 0.08 0.02 0.03 0.06 -0.01 0.01 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.02 0.12 0.02 0.03 0.07 0.00 0.04 0.04 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.02 -0.01 -0.03 0.03 0.01 0.03 0.05 0.02 0.04 -0.06 -0.02 -0.05 -0.14 -0.05 0.04 0.08 0.03 -0.14 -0.01 -0.04 0.24 -0.04 0.05 -0.14 0.05 0.01 -0.19 0.01 -0.08 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.00 0.00 -0.01 0.02 0.00 0.01 -0.01 -0.04 -0.01 -0.02 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 0.08 0.03 -0.19 0.13 0.04 0.03 0.25 0.09 -0.65 -0.08 -0.11 -0.10 0.05 0.01 0.34 -0.13 -0.04 -0.10 -0.04 -0.12 -0.06 -0.03 -0.05 -0.10 0.03 -0.02 -0.05 -0.01 -0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.09 -0.04 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.22 -0.05 -0.02 0.15 0.13 0.06 0.16 -0.04 -0.01 -0.19 0.00 -0.01 -0.14 -0.09 -0.04 0.29 0.08 0.04 0.03 0.06 0.06 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 -0.00 0.01 -0.01 -0.05 -0.01 0.00 -0.01 0.02 0.01 0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.12 0.21 0.07 0.06 -0.25 -0.08 -0.11 0.15 0.05 0.58 0.05 0.08 -0.40 -0.11 -0.06 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.09 -0.05 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.10 -0.15 -0.05 -0.04 0.24 0.09 -0.17 0.19 0.06 0.14 -0.18 -0.06 0.03 -0.19 -0.07 -0.06 0.08 0.03 0.07 0.01 0.03 -0.04 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 -0.01 0.02 -0.00 -0.00 0.00 -0.04 0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.29 -0.19 -0.05 -0.23 0.12 0.05 0.12 0.17 0.07 0.65 0.05 0.10 0.00 0.11 0.04 -0.02 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.28 -0.22 0.05 -0.06 -0.03 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.01 -0.00 -0.05 0.01 0.00 -0.03 0.01 0.00 0.02 -0.00 -0.00 0.01 0.00 0.00 -0.03 -0.01 -0.01 -0.05 0.48 0.36 0.01 -0.05 -0.05 0.03 0.01 0.03 0.02 0.01 0.02 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.03 -0.04 -0.01 0.07 -0.06 0.01 0.01 -0.02 -0.01 -0.64 -0.11 -0.20 0.05 0.01 0.00 -0.05 0.03 0.03 0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.13 0.61 -0.16 -0.02 -0.28 -0.39 -0.38 -0.20 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.03 -0.00 -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 0.11 -0.07 -0.06 -0.02 0.01 0.01 -0.40 0.00 0.90 -0.02 -0.00 0.02 -0.01 -0.06 -0.06 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 0.02 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.21 0.03 -0.50 -0.18 0.50 0.25 0.34 -0.05 -0.28 0.04 0.28 0.28 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.03 -0.00 0.00 0.02 -0.01 -0.03 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.03 0.00 0.06 0.41 -0.06 -0.33 0.04 0.35 0.35 -0.11 -0.01 0.25 0.09 -0.25 -0.12 0.32 -0.05 -0.26 0.03 0.26 0.26 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.04 -0.02 -0.00 -0.00 -0.03 0.01 0.03 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.11 -0.08 -0.06 -0.08 0.07 0.04 -0.01 0.00 0.01 0.38 -0.06 -0.30 0.04 0.33 0.33 0.11 0.01 -0.27 -0.10 0.27 0.13 -0.32 0.05 0.26 -0.03 -0.27 -0.27 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.04 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.66 -0.51 -0.54 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.05 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 -0.15 0.67 -0.16 -0.00 0.03 0.08 0.46 0.22 -0.48 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 0.04 0.03 0.03 -0.02 -0.02 -0.00 -0.00 0.01 0.01 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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.63 -0.45 -0.33 -0.35 0.27 0.18 0.05 0.00 -0.12 -0.10 0.01 0.09 -0.00 -0.02 -0.03 -0.02 -0.00 0.05 0.03 -0.08 -0.04 0.07 -0.01 -0.06 0.01 0.04 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 0.02 -0.05 0.04 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.36 -0.26 -0.19 0.62 -0.49 -0.33 0.02 -0.00 -0.04 -0.03 0.00 0.03 0.01 0.04 0.03 -0.02 -0.00 0.04 -0.02 0.07 0.04 -0.05 0.01 0.05 0.01 0.04 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.05 -0.07 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.05 0.27 -0.09 0.03 0.51 0.71 -0.25 -0.14 0.26 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.03 0.01 0.00 0.00 0.00 -0.06 0.01 0.00 0.01 -0.04 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.33 -0.34 -0.14 -0.04 -0.04 -0.02 0.65 -0.14 -0.02 0.00 -0.00 -0.00 -0.16 0.49 0.17 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.05 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 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 0.47 0.49 0.20 -0.04 -0.05 -0.02 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.21 0.62 0.22 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.06 0.01 0.00 -0.01 0.04 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.03 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 0.32 0.34 0.14 0.04 0.04 0.02 0.72 -0.15 -0.02 -0.00 0.00 0.00 0.13 -0.41 -0.14 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.03 -0.06 -0.02 0.03 0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.21 -0.04 0.51 -0.15 0.44 0.20 0.34 -0.05 -0.26 -0.05 -0.34 -0.34 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.05 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 0.07 -0.04 -0.03 0.01 -0.01 -0.01 0.03 0.00 -0.06 0.53 -0.06 -0.41 -0.08 -0.51 -0.50 -0.01 -0.00 0.02 -0.01 0.02 0.01 -0.03 0.00 0.02 0.01 0.03 0.03 0.04 0.05 0.02 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 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.03 -0.05 0.03 -0.04 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.02 0.02 -0.09 0.07 0.04 -0.00 -0.00 0.00 -0.03 0.00 0.03 0.00 0.03 0.03 -0.18 -0.04 0.43 -0.13 0.38 0.17 -0.39 0.05 0.30 0.06 0.40 0.39 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.06 -0.02 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.66 0.68 0.28 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.09 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 -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 0.04 0.55 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.06 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.19 0.88 0.43 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 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 9 9 8 7 7 7 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 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 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 331.14962 0.99989 0.0069 0.01282 -0.00657 0.99966 -0.02538 -0.01299 0.0253 0.9996 asymmetric 1 0.01765 0.00822 0.00753 0.36786 0.17130 0.15684 903182.1 24.76 43.36 52.40 67.36 73.27 77.96 110.13 119.01 136.88 169.69 179.85 231.82 249.49 269.39 297.99 316.15 351.29 376.40 398.99 452.79 465.87 517.46 571.32 601.17 633.06 658.80 685.45 742.43 769.41 778.11 825.67 862.44 882.15 900.03 909.91 1027.14 1034.86 1068.88 1077.07 1099.00 1109.64 1115.32 1159.92 1170.14 1193.15 1210.73 1232.39 1245.27 1275.01 1290.98 1307.26 1308.92 1381.10 1389.66 1423.51 1431.21 1433.27 1462.24 1488.81 1509.63 1532.43 1538.61 1540.02 1549.79 1563.98 1578.66 1612.85 1617.91 1635.77 1649.48 1655.98 1714.52 1715.07 1716.24 1722.31 1752.34 1760.59 1796.20 1815.29 1846.23 1895.51 1902.43 1911.72 1926.24 1942.37 1952.94 1996.51 2041.43 2087.40 2092.51 2112.59 2121.42 2127.49 2130.34 2149.97 2157.84 2172.80 2178.83 2193.31 2257.95 2267.37 2337.78 2373.89 2469.09 4392.05 4463.23 4475.84 4482.65 4482.78 4489.02 4493.83 4504.97 4520.82 4528.61 4548.91 4565.20 4585.07 4588.50 4604.27 4610.78 4665.67 4701.13 5191.00 0.344004 0.366020 0.366965 0.290112 -1136.478072 -1136.456056 -1136.455111 -1136.531965 229.681 83.118 161.751 0.000 0.000 0.000 0.889 2.981 43.287 0.889 2.981 34.741 227.904 77.156 83.723 1 0.593 1.986 6.933 2 0.594 1.984 5.821 3 0.594 1.982 5.445 4 0.595 1.979 4.947 5 0.595 1.977 4.781 6 0.596 1.976 4.659 7 0.599 1.965 3.978 8 0.600 1.961 3.825 9 0.603 1.953 3.552 10 0.608 1.934 3.134 11 0.610 1.928 3.021 12 0.622 1.890 2.537 13 0.627 1.875 2.398 14 0.632 1.857 2.255 15 0.641 1.830 2.069 16 0.647 1.811 1.961 17 0.659 1.772 1.772 18 0.669 1.743 1.651 19 0.678 1.715 1.550 20 0.702 1.646 1.337 21 0.708 1.628 1.291 22 0.734 1.555 1.124 23 0.764 1.476 0.973 24 0.781 1.431 0.899 25 0.800 1.383 0.827 26 0.816 1.343 0.772 27 0.833 1.302 0.720 28 0.871 1.215 0.619 29 0.890 1.173 0.577 30 0.896 1.160 0.564 31 0.930 1.088 0.497 32 0.957 1.033 0.451 33 0.972 1.004 0.428 0.614826e+25 24.788752 57.078211 0.297332e+10 9.473242 21.812946 0.100000e+01 0.000000 0.000000 0.236859e+09 8.374490 19.282976 0.873011e+07 6.941020 15.982289 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.6886 2.1162 -1.2379 4.4290 -112.2699 -146.1272 -142.1702 2.8238 8.1327 2.6909 21.2526 -12.6048 -8.6478 2.8238 8.1327 2.6909 -152.2575 11.3039 17.8050 -2.4235 -25.3644 -43.0423 -35.0187 14.9698 17.2785 -2.7192 -5592.8868 -2372.3319 -1449.6805 90.1799 240.2577 -55.7565 42.4870 -31.4681 54.7038 -1444.4053 -1291.2628 -655.0530 72.3079 -22.3673 26.0235 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1136.8220761 2.385E-9 2.027E-6 0.3440039 0.3660205 -1136.4560556 -1136.4551114 -1136.5319646 15.8045425,-9.2999083,-6.5046342,-2.5486028,5.8532292,-2.0820272 C01 [X(C18H19F2N3O1)] 1.4694617 0.80777 0.4738899 -0.7813848 0.364752 0.0452954 0.3108458 -0.5835191 -0.0026548 0.123473 -0.0212392 -0.4281805 -0.4215857 -0.1225396 -0.2991742 -0.0796802 -0.4867438 -0.3144555 -0.1099441 -0.1666488 -0.6835492 -0.8471789 -0.0922077 0.0683515 0.2722112 -0.9030179 0.3713446 -0.2070401 0.4050837 -0.6194738 -1.9326327 0.1547617 -0.160188 0.2892479 -0.4367559 0.1070898 -0.4035803 0.1687436 -0.3911708 -0.7282962 -0.0175544 -0.1464295 -0.1136654 -0.0903987 0.0145996 -0.0858112 0.0080725 -0.1615477 -0.5872847 -0.1908354 0.2261566 -0.2747646 -0.2499557 0.0107326 0.2110451 0.00997 -0.1202497 0.0254619 -0.1229803 -0.0708236 -0.0813046 0.1491454 -0.0172919 -0.0351779 0.096536 0.0908299 -0.0336098 -0.1159248 -0.1006608 -0.1190862 0.0906506 -0.0188055 -0.0384254 0.0054011 0.0503731 0.0927 -0.0201531 0.041354 -0.0074302 -0.0849883 -0.1051202 0.0045252 -0.1115896 0.0296334 -0.1077034 0.1518059 -0.0527645 0.0980857 0.0113689 0.0220859 -0.033995 -0.0203026 0.0718413 0.1001267 0.0537021 0.009641 0.0103986 -0.1093525 -0.1537193 -0.0474554 -0.1516273 0.0062803 -0.0913911 0.1091592 -0.0297043 0.1540953 0.0401815 0.0518289 -0.059641 0.0410221 0.0495576 -0.2218299 0.0624203 0.0084825 0.1128293 0.1934742 -0.0226814 -0.0471739 -0.1862277 -0.0894133 1.2093374 0.0842787 -0.0064979 0.2635923 0.0072744 0.042966 -0.1118141 0.0487313 0.0524155 0.0579018 -0.0229014 0.024308 -0.0623475 -0.0244814 -0.092048 0.0071311 -0.0356214 -0.0993203 -0.220243 0.0166659 0.0007123 -0.1641989 -0.0857826 -0.0136011 0.0776407 -0.0337633 -0.1115819 -0.0421072 0.0158947 -0.0180198 0.0174503 -0.113372 -0.0194316 -0.0033565 -0.0119478 -0.1448646 0.0671171 -0.0116392 -0.0031916 0.0510665 0.0728178 -0.0927045 0.004489 -0.0868207 -0.1016452 2.2731231 -0.0004938 0.0649435 -0.5545913 1.0354154 -0.5249131 0.5558502 -0.5822002 0.6683817 -0.6556226 -0.1013707 -0.0178349 -0.1150722 -0.1513565 0.0616433 -0.0458457 0.0612693 -0.1522203 0.070616 0.140682 -0.1969867 0.2969122 0.0246917 -0.073833 -0.2701135 -0.0315433 -0.0765053 0.646316 0.0474398 0.1176368 0.1447637 -0.0254079 0.0308712 0.0115868 -0.0202942 -0.0471381 1.2095659 -0.235531 0.2732325 -0.2872726 1.1262432 0.2243563 0.0785178 0.097958 1.3106894 0.6845894 0.0119305 0.1354983 -0.0114023 0.1999741 0.0245024 0.2280949 0.0359958 0.2326836 -0.048037 -0.0927498 -0.0012297 -0.0894117 0.0133446 0.0297726 -0.0212113 0.0022247 -0.0069723 -0.0511163 -0.0732241 -0.0078541 -0.0614239 0.0286863 0.0385156 -0.0136318 0.0363045 -0.0022875 0.0668206 -0.0355245 0.0559654 -0.0268325 -0.0981258 -0.0113695 0.0639259 -0.0120722 -0.0648806 -0.0378916 0.0452842 0.0429558 -0.0080903 0.061824 0.0450974 0.0855132 0.0344805 0.0099599 0.0235123 0.0212965 -0.0142408 0.0563582 -0.0565788 0.0786813 -0.0516047 0.094255 -0.0250144 0.0426306 0.0126696 0.0613962 -0.0073753 0.0051827 -0.0276608 0.0446997 -0.0859068 -0.1075282 0.067525 -0.0387517 0.0294629 -0.0276022 -0.0941714 -0.0065432 0.0460377 0.071138 0.0150439 -0.0484567 0.0431233 0.0496751 0.0035298 0.0555427 0.0416414 0.094023 0.0180351 -0.0087896 0.0085203 0.023195 -0.0134138 0.0546836 -0.0215273 0.0793151 -0.032642 0.0669816 0.008888 0.0017303 0.0746551 -0.0239864 0.0991452 0.0009428 0.0564394 -0.0231152 0.0480889 0.0980292 0.1118015 0.0454925 -0.0083655 0.0444228 0.0587351 0.0166868 -0.0031597 0.0451171 0.1221619 -0.1224697 -0.0519934 0.002394 -0.0341851 0.0587602 0.0205101 0.006806 0.0288778 0.1321309 0.1897254 -0.0484278 -0.0718065 -0.0319636 0.2604387 0.0125031 -0.0109302 0.0001457 0.2531608 0.0373609 -0.0493084 0.0114495 -0.07283 -0.0704539 0.0652325 0.0218152 0.0775776 0.1076316 0.1176793 -0.0058865 -0.0228671 0.0033751 0.136549 0.0454381 -0.0123081 0.0405534 0.0850207 -0.0275258 -0.0236181 0.0270655 -0.0258365 0.0073762 0.0208421 0.04104 0.0249659 -0.0042347 -0.0400814 0.0166401 -0.0413507 -0.079534 -0.0559934 -0.0615117 -0.0615311 -0.0213188 0.0633696 0.0304046 -0.0414374 0.027605 0.0103937 0.0368854 0.0844205 -0.0482221 0.0639952 -0.010584 -0.0881177 0.0192039 -0.0161913 0.042494 0.0664781 -0.0387713 0.0715159 -0.0524005 -0.0009303 306.3220137|10.9196781|219.8378113|18.2909116|-17.9204973|182.195392 -0.000003078 0.000004971 0.000001026 0.000000425 -0.000000091 -0.000000877 -0.000000368 -0.000002212 0.000000945 0.000000014 -0.000000193 -0.000001937 -0.000001705 0.000003067 -0.000003221 0.000003706 -0.000003914 0.000001943 0.000000016 0.000002237 -0.000007007 0.000000261 -0.000002137 0.000004199 -0.000001600 0.000001625 0.000005791 0.000004746 -0.000000086 -0.000000123 0.000001092 -0.000005033 0.000000615 -0.000003475 0.000005780 -0.000002742 0.000000299 -0.000001620 -0.000001680 0.000000662 -0.000000441 0.000001615 0.000000559 0.000002241 -0.000001209 -0.000000710 -0.000000262 0.000000464 -0.000000684 -0.000000555 0.000000186 -0.000000790 0.000000898 -0.000001296 -0.000000802 0.000001824 -0.000000351 0.000000102 -0.000004189 -0.000006112 -0.000002672 0.000003326 0.000001781 -0.000002320 0.000001505 0.000003188 0.000002072 -0.000004562 0.000000375 0.000003284 -0.000000105 0.000000420 0.000001297 -0.000000385 0.000002309 0.000000163 -0.000000517 -0.000000410 -0.000000129 0.000000701 -0.000000145 -0.000000339 0.000000413 0.000000932 -0.000002269 0.000001125 0.000001191 0.000000559 0.000001240 0.000000866 0.000000079 0.000000499 0.000001111 0.000001975 -0.000002852 0.000001568 0.000000836 -0.000001448 0.000000275 -0.000000148 0.000001020 0.000000340 -0.000000218 0.000000255 -0.000000888 -0.000000282 0.000000843 -0.000000553 0.000000293 0.000001439 0.000000267 -0.000000145 0.000000203 -0.000000444 0.000000431 -0.000001977 -0.000001758 -0.000000251 0.000000487 0.000000245 0.000000282 -0.000000891 0.000000080 -0.000000509 -0.000001245 -0.000000601 -0.000000657 -0.000000983 -0.000000378 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; Gaussian 16 24-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/gas/CO #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 sedaxane_cis/ CONF1 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 19 19 16 14 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 666 A 642 A 642 1016 666 87 87 2137.2209566344 43 43 43 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 -0.0478735180 0.000000 2.200233 0.000000 4.867408 4.586875 0.000000 3.082158 3.237529 2.297948 0.000000 4.350708 4.358800 4.137396 4.609377 0.000000 3.353218 3.386922 4.576003 4.397013 1.343847 0.000000 3.181170 4.876376 5.224095 3.265648 6.340777 5.835804 0.000000 4.025239 5.641232 4.754498 3.350867 6.125787 5.931143 1.496050 0.000000 3.292176 4.378797 5.021880 2.826956 6.736553 6.167783 1.526855 2.629122 0.000000 4.204137 5.669858 6.259500 4.187019 7.751952 7.175495 1.507242 2.608344 1.510936 0.000000 4.729222 6.580676 5.637154 4.567515 6.285366 6.185948 2.602379 1.509982 4.007081 3.683997 0.000000 3.920363 5.497776 4.208068 3.356754 4.942485 4.948126 2.600632 1.510000 3.714496 3.984916 1.511732 0.000000 4.193562 4.738453 4.291137 2.415218 6.916395 6.563758 2.638383 3.075544 1.497822 2.622782 4.585339 4.057885 0.000000 4.120580 4.267712 2.934324 1.411861 5.981930 5.808520 3.351609 3.423398 2.528847 3.826606 4.845718 3.907570 1.413588 0.000000 5.532997 5.974561 5.258094 3.687490 8.251314 7.943357 3.639874 3.973359 2.517559 3.112436 5.432034 5.130816 1.394961 2.413531 0.000000 5.420913 5.231556 2.896866 2.464640 6.654741 6.680753 4.651488 4.494870 3.812907 4.997535 5.852993 4.889450 2.438451 1.400560 2.781519 0.000000 6.560149 6.700177 5.246171 4.211081 8.755618 8.605019 4.863215 4.927971 3.806431 4.472644 6.347263 5.915225 2.433924 2.800047 1.393053 2.418656 0.000000 6.502940 6.372571 4.220202 3.726087 8.037567 8.040637 5.266982 5.137199 4.301829 5.249975 6.522316 5.801784 2.804031 2.417506 2.402287 1.392069 1.391792 0.000000 3.643110 3.529213 1.224387 1.369180 3.625015 3.748870 4.307091 4.074244 4.140555 5.416487 5.005115 3.568873 3.706209 2.498264 4.890475 3.031072 5.190014 4.413046 0.000000 3.179959 3.126324 2.348739 2.423086 2.207274 2.277903 4.717537 4.582692 4.822658 6.007926 5.202526 3.743832 4.791144 3.788009 6.097365 4.496835 6.566513 5.875194 1.489954 0.000000 2.367468 2.365776 3.710395 3.133650 2.125761 1.332054 4.788707 4.995447 4.939315 6.057612 5.523385 4.238704 5.273718 4.536216 6.648165 5.469892 7.320701 6.805353 2.693506 1.421888 0.000000 4.319200 4.283829 2.835259 3.678878 1.351265 2.236986 5.802323 5.428428 6.092511 7.179365 5.759580 4.295721 6.028241 4.960586 7.294297 5.483811 7.665142 6.859387 2.504691 1.384808 2.203923 0.000000 1.391748 1.371489 4.626324 3.331338 3.526325 2.403516 4.438377 5.084794 4.390257 5.486969 5.761938 4.709294 4.990344 4.568947 6.341085 5.679208 7.184706 6.892266 3.468340 2.652996 1.487282 3.675149 0.000000 5.647771 5.675232 5.328493 6.034610 1.454838 2.420997 7.621121 7.309870 8.130033 9.069713 7.256116 6.001937 8.333114 7.387334 9.660075 7.996418 10.137576 9.375703 4.985750 3.631336 3.510835 2.523327 4.806648 0.000000 2.546358 4.541070 5.586104 3.631063 5.952762 5.296001 1.085985 2.177372 2.214918 2.214109 2.806417 2.784890 3.499777 4.056685 4.601113 5.422686 5.840409 6.172998 4.535208 4.601231 4.373294 5.641446 3.891679 7.175913 0.000000 4.832109 6.191285 4.686000 3.483075 6.746397 6.668057 2.182455 1.085313 2.828028 2.822028 2.214267 2.209725 2.786100 3.157383 3.392094 3.980360 4.171588 4.414401 4.232022 5.038294 5.664414 5.876969 5.813914 7.948373 3.101805 0.000000 2.767221 3.654312 5.301228 3.005118 6.623979 5.877326 2.210687 3.496313 1.087959 2.206142 4.764930 4.364028 2.183064 2.972868 3.190260 4.269037 4.423682 4.847955 4.299208 4.788340 4.645832 6.126200 3.812744 8.030975 2.433188 3.850041 0.000000 5.182491 6.574515 6.562770 4.682467 8.442264 7.989240 2.217356 2.774212 2.227787 1.084365 3.799456 4.276065 2.806003 4.064195 2.869903 5.026757 4.119808 5.041431 5.879508 6.636669 6.863238 7.753623 6.425388 9.746685 3.099035 2.615402 3.102471 0.000000 4.412449 5.931603 7.159188 4.989908 8.303537 7.586128 2.242526 3.503591 2.238404 1.083531 4.360447 4.783394 3.504851 4.727995 3.918579 5.930729 5.304921 6.161007 6.230689 6.676127 6.518695 7.868736 5.744852 9.599704 2.514570 3.850859 2.489872 1.822756 0.000000 5.790661 7.576197 6.125122 5.316202 7.005498 7.053591 3.497409 2.238243 4.807008 4.365451 1.083784 2.240734 5.194711 5.442349 5.855645 6.275705 6.637775 6.818408 5.672434 5.972883 6.437072 6.403305 6.782765 7.887684 3.838179 2.503775 5.666168 4.231703 5.077603 0.000000 4.630847 6.676609 6.396350 5.146946 6.480368 6.222935 2.777855 2.229228 4.299304 3.799932 1.084551 2.233069 5.166156 5.541902 6.058308 6.671867 7.105781 7.366121 5.627043 5.607210 5.663494 6.167274 5.742951 7.389967 2.613454 3.103208 4.898050 4.077640 4.226159 1.821921 0.000000 3.126858 4.771492 4.178173 3.239354 4.106051 3.968369 2.774471 2.228810 3.835724 4.275700 2.232803 1.084525 4.368584 4.125433 5.603007 5.220623 6.454088 6.281104 3.336602 3.111926 3.341535 3.673798 3.821289 5.185840 2.574062 3.097503 4.228936 4.799873 4.929673 3.119564 2.520143 0.000000 4.659755 5.942167 3.712575 3.472718 4.865162 5.149780 3.492151 2.236511 4.388596 4.786695 2.244231 1.083578 4.388220 3.967124 5.373261 4.679050 5.922157 5.609785 3.376299 3.696900 4.503672 4.024135 5.234511 5.848869 3.809356 2.494650 5.088240 4.935689 5.679953 2.549644 3.123182 1.820892 0.000000 5.934616 6.562186 6.271074 4.548905 9.027085 8.626204 3.760433 4.270907 2.702738 2.809853 5.641651 5.606834 2.136328 3.392328 1.084065 3.865570 2.149640 3.386549 5.815462 6.923310 7.341062 8.146693 6.886921 10.434909 4.701962 3.742131 3.345384 2.403820 3.433420 6.040460 6.149850 6.096047 5.980773 0.000000 5.746899 5.319930 2.247550 2.700321 6.255936 6.447065 5.383629 5.097883 4.674416 5.917420 6.335193 5.198376 3.412444 2.147518 3.859902 1.078434 3.397399 2.151393 2.756825 4.213718 5.337884 5.019007 5.770279 7.523989 6.056879 4.648142 5.048925 5.998425 6.853723 6.736426 7.181124 5.450505 4.820678 4.943948 0.000000 7.569832 7.707717 6.251272 5.294836 9.833878 9.687889 5.713091 5.774472 4.669490 5.123694 7.140627 6.843145 3.411750 3.883954 2.152570 3.402678 1.083919 2.155839 6.258488 7.646771 8.400978 8.729292 8.228558 11.209590 6.717096 4.947919 5.281913 4.617929 5.877281 7.338314 7.895121 7.442620 6.839118 2.478168 4.296341 0.000000 2.136200 2.775279 3.152078 1.009332 4.522769 4.061074 2.630837 3.040148 2.337860 3.653193 4.198233 3.108915 2.507850 2.047953 3.894847 3.325513 4.698189 4.462839 2.030336 2.513628 2.774367 3.840555 2.660354 5.956956 2.781807 3.449764 2.343350 4.337230 4.328046 5.087502 4.591452 2.794344 3.526602 4.574419 3.686766 5.761290 0.000000 7.483761 7.196693 4.659873 4.600786 8.670174 8.780359 6.322677 6.092833 5.386030 6.307887 7.418215 6.668166 3.888226 3.394756 3.389378 2.140365 2.152606 1.084227 5.083230 6.566164 7.589006 7.435878 7.771139 9.954977 7.231539 5.311673 5.912981 6.036384 7.219798 7.629047 8.312106 7.174533 6.351126 4.288806 2.468036 2.489933 5.418485 0.000000 5.289333 5.237970 2.745125 4.175422 2.139967 3.255863 6.396096 5.806863 6.701490 7.761717 6.077598 4.614975 6.458092 5.295280 7.628475 5.590639 7.842630 6.921555 2.872492 2.229083 3.265958 1.077511 4.719342 2.848178 6.359848 6.113218 6.860245 8.219823 8.538091 6.566014 6.608511 4.195454 4.093873 8.535127 4.989109 8.871398 4.525173 7.375309 0.000000 2.013497 2.011143 5.631964 4.418517 3.813251 2.502866 5.183644 5.902501 5.230140 6.191719 6.423424 5.481080 5.974333 5.639532 7.309097 6.761677 8.207485 7.959635 4.503512 3.514771 2.147418 4.300761 1.090053 4.877226 4.470321 6.716827 4.561764 7.187519 6.299148 7.465991 6.246756 4.507358 6.066880 7.780132 6.845260 9.236224 3.707455 8.842754 5.376403 0.000000 5.749494 6.127163 6.012840 6.491518 2.093942 2.743572 7.620990 7.294636 8.306829 9.095817 7.037255 5.939350 8.664593 7.847241 10.010864 8.573743 10.593219 9.933159 5.565992 4.188651 3.903669 3.201418 5.075092 1.090816 7.079829 8.023945 8.230383 9.783855 9.566306 7.652537 7.044740 5.087159 5.880247 10.711873 8.196841 11.663558 6.286124 10.575710 3.566539 5.027040 0.000000 6.387493 6.381175 5.222017 6.308080 2.077764 3.306318 8.064090 7.576036 8.574085 9.523241 7.497009 6.209105 8.623185 7.581681 9.892249 8.033201 10.247246 9.389937 5.124944 3.960151 4.196240 2.637561 5.600676 1.088994 7.735567 8.105440 8.580688 10.109210 10.144305 8.009228 7.751678 5.537459 5.866938 10.722720 7.460678 11.297876 6.382588 9.877257 2.521122 5.805927 1.781513 0.000000 6.057429 5.777999 5.937691 6.615126 2.090407 2.704419 8.344769 8.167453 8.739822 9.749777 8.196651 6.930489 8.951713 7.986674 10.286796 8.575446 10.754459 9.966565 5.584102 4.203103 3.887419 3.225906 5.032220 1.090400 7.853587 8.817702 8.524838 10.484734 10.224537 8.881502 8.288749 6.064171 6.827411 11.068416 8.067991 11.830640 6.523778 10.526498 3.605534 4.947166 1.780530 1.781244 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9441,1.4998,1.7396;-1.4123,-.3401,2.8516;-.587,-2.3859,-1.17;.3835,-.817,.2002;-4.1425,-.3642,-.5461;-3.8535,.2918,.5905;1.6328,2.1941,.0082;1.4836,1.8851,-1.448;2.2394,1.1726,.9673;2.9962,2.4295,.6061;.8951,2.9166,-2.3806;.1077,1.6738,-2.0331;2.693,-.1732,.4911;1.7512,-1.1541,.105;4.0493,-.4943,.4344;2.1857,-2.4119,-.3314;4.4864,-1.7439,.0007;3.5473,-2.6971,-.3822;-.6755,-1.4161,-.4279;-2.0091,-.7985,-.1828;-2.566,.0399,.8215;-3.0751,-1.0331,-1.0351;-1.978,.6237,2.0565;-5.4861,-.2913,-1.0994;.818,2.7811,.4215;2.2718,1.2626,-1.8592;1.7944,1.1687,1.96;3.8452,2.3253,-.0604;3.1122,3.1953,1.3638;1.3083,3.0036,-3.3787;.5709,3.8566,-1.9476;-.7415,1.7848,-1.3677;-.0159,.9064,-2.7881;4.7714,.2554,.7373;1.4592,-3.1479,-.6374;5.5463,-1.9679,-.0359;.2017,.0767,.6326;3.8689,-3.6745,-.7239;-3.1135,-1.6295,-1.9317;-2.7167,1.1756,2.6378;-5.7201,.7392,-1.3698;-5.5327,-.9218,-1.9861;-6.2056,-.6448,-.3603; 0.3678550 0.1712969 0.1568448 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= 642 RedAO= T EigKep= 1.21D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 6.14D-07 NBFU= 639 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= 663 663 663 663 663 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.82207608662 -1136.82207609 1 1.132256820636e+03 -6.930249593392e+03 2.523997613553e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245822358 LenY= 4245378136 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. PT814.300S 2021-12-24T16:34:20.000 -24.70658 -24.70203 -19.09489 -14.42739 -14.36416 -14.35209 -10.35781 -10.28962 -10.24063 -10.23580 -10.23293 -10.21846 -10.20358 -10.18408 -10.18304 -10.18287 -10.17806 -10.17297 -10.17041 -10.16937 -10.16907 -10.16812 -10.16717 -10.16506 -1.27102 -1.21322 -1.09097 -1.04889 -0.94763 -0.88668 -0.88130 -0.85326 -0.83766 -0.82447 -0.77190 -0.75324 -0.74742 -0.71162 -0.66317 -0.64409 -0.63877 -0.62384 -0.61249 -0.60069 -0.58573 -0.58286 -0.57212 -0.56424 -0.55919 -0.55639 -0.53192 -0.51558 -0.51099 -0.50536 -0.49800 -0.48957 -0.46885 -0.46112 -0.45382 -0.45132 -0.45082 -0.44290 -0.43674 -0.43124 -0.42715 -0.42324 -0.42096 -0.41763 -0.41636 -0.38717 -0.37999 -0.37136 -0.36726 -0.36126 -0.35485 -0.34326 -0.33803 -0.33637 -0.31406 -0.30968 -0.29295 -0.28470 -0.27942 -0.26878 -0.26439 -0.24286 -0.22143 -0.04456 -0.02957 -0.01154 -0.01018 0.00138 0.00652 0.01029 0.01657 0.01890 0.02231 0.02651 0.03137 0.03456 0.03675 0.04243 0.04745 0.05019 0.05229 0.05784 0.06020 0.06318 0.06891 0.07155 0.07749 0.07981 0.07992 0.08201 0.08573 0.09451 0.09716 0.10173 0.10625 0.10695 0.10883 0.11439 0.11829 0.12343 0.12592 0.12766 0.13127 0.13444 0.13728 0.13864 0.14405 0.14630 0.14918 0.15388 0.15575 0.15703 0.15873 0.16086 0.16374 0.16507 0.16858 0.17300 0.17414 0.17569 0.17936 0.18359 0.18455 0.18785 0.19038 0.19446 0.19593 0.19798 0.20100 0.20146 0.20382 0.20960 0.21033 0.21205 0.21322 0.21559 0.21850 0.22052 0.22475 0.22770 0.22953 0.23277 0.23418 0.23802 0.24145 0.24276 0.24686 0.24919 0.25268 0.25405 0.25903 0.26250 0.26632 0.26784 0.27059 0.27482 0.27797 0.27967 0.28575 0.28802 0.29114 0.29320 0.29522 0.29833 0.30560 0.30740 0.31084 0.31271 0.31551 0.31838 0.32344 0.32504 0.32800 0.33641 0.34057 0.34533 0.34767 0.35314 0.35425 0.35724 0.36363 0.36592 0.36776 0.37333 0.37662 0.38094 0.38428 0.38949 0.39220 0.39844 0.40133 0.40715 0.41464 0.41989 0.42781 0.43086 0.43655 0.44012 0.44853 0.45317 0.45802 0.46880 0.47368 0.47886 0.48168 0.49353 0.49582 0.50410 0.51429 0.52187 0.52627 0.53961 0.54468 0.54764 0.55388 0.55625 0.56057 0.56517 0.56613 0.57262 0.57562 0.59284 0.59417 0.59708 0.60139 0.60886 0.61358 0.61617 0.62324 0.63259 0.64053 0.64771 0.64960 0.65656 0.66208 0.66447 0.66865 0.67844 0.67977 0.68501 0.69096 0.69560 0.69731 0.70068 0.70228 0.70785 0.71063 0.71197 0.72165 0.72342 0.72792 0.73458 0.73982 0.74407 0.74774 0.75371 0.75446 0.75638 0.76773 0.77102 0.78380 0.78559 0.79493 0.80083 0.80550 0.81812 0.81962 0.82418 0.83225 0.83462 0.83913 0.84678 0.85857 0.86277 0.86871 0.88549 0.88792 0.89589 0.90074 0.91060 0.91520 0.92630 0.93410 0.94215 0.94411 0.96023 0.96799 0.97076 0.97466 0.98255 0.99438 1.00087 1.00678 1.01493 1.02863 1.03265 1.03694 1.05080 1.05408 1.06656 1.07269 1.08217 1.09738 1.10478 1.11218 1.12140 1.13068 1.14759 1.15133 1.15396 1.16050 1.19905 1.20374 1.20722 1.21866 1.23338 1.24614 1.25310 1.26648 1.28009 1.28894 1.29632 1.29885 1.30738 1.31447 1.32316 1.34697 1.36079 1.36482 1.38164 1.38731 1.39602 1.40355 1.41343 1.42188 1.43609 1.45269 1.46218 1.46702 1.48881 1.49298 1.49526 1.50266 1.51590 1.51992 1.52381 1.52767 1.53047 1.53357 1.53731 1.54738 1.55060 1.55618 1.56960 1.57863 1.58284 1.58975 1.59422 1.60116 1.60670 1.61235 1.61903 1.62451 1.63130 1.63870 1.64782 1.65278 1.65670 1.67156 1.67517 1.67867 1.68472 1.70122 1.70900 1.71756 1.72771 1.73162 1.74133 1.74981 1.75647 1.76509 1.77075 1.77970 1.78533 1.79661 1.80511 1.81657 1.82180 1.82743 1.83890 1.85087 1.85624 1.86298 1.87078 1.88185 1.88834 1.89584 1.90498 1.90875 1.92074 1.92686 1.92740 1.93680 1.94112 1.95423 1.96552 1.97420 1.98956 1.99403 1.99870 2.01018 2.01471 2.02650 2.04533 2.05107 2.05240 2.05527 2.06439 2.07396 2.07695 2.08774 2.09439 2.10438 2.13448 2.13945 2.14967 2.16321 2.16941 2.17842 2.18091 2.20372 2.21804 2.21925 2.22873 2.23599 2.25306 2.26422 2.28500 2.29832 2.32288 2.33157 2.34063 2.36566 2.37242 2.39027 2.39669 2.39960 2.42430 2.42807 2.44236 2.44773 2.45290 2.45841 2.46730 2.47598 2.48421 2.50175 2.50806 2.51511 2.52096 2.54966 2.56604 2.57822 2.59655 2.60776 2.62094 2.63935 2.64943 2.66188 2.66718 2.67880 2.68231 2.70766 2.71024 2.71264 2.73019 2.73186 2.75087 2.75545 2.76937 2.77129 2.77752 2.78605 2.79212 2.79969 2.80403 2.81980 2.82568 2.83515 2.85194 2.85933 2.86551 2.87164 2.87861 2.89318 2.90561 2.92075 2.92706 2.93242 2.93886 2.94201 2.95059 2.95729 2.97164 2.97570 2.98892 2.99527 3.01180 3.01696 3.02760 3.03743 3.04387 3.05852 3.07738 3.10084 3.11128 3.15951 3.17226 3.17721 3.20754 3.22014 3.25210 3.28000 3.31834 3.33453 3.36632 3.37127 3.40165 3.40678 3.43442 3.43906 3.47449 3.50407 3.51306 3.54903 3.57116 3.58155 3.59835 3.61634 3.62909 3.63937 3.67841 3.69073 3.70703 3.72418 3.75554 3.77542 3.78353 3.79766 3.80050 3.83073 3.84825 3.85317 3.88027 3.89764 3.95752 3.96992 4.00109 4.01401 4.02812 4.04812 4.06799 4.07493 4.10292 4.13861 4.14939 4.20551 4.22390 4.29391 4.35590 4.37730 4.43718 4.53812 4.60555 4.65066 4.77976 4.86024 4.89659 4.92092 4.97989 5.13545 5.14215 5.31289 5.42987 5.83156 6.37954 6.40261 6.41421 6.48562 6.59670 6.70212 23.62997 23.67420 23.76716 23.86795 23.89067 23.90052 23.90900 23.91475 23.93270 23.94660 23.97659 23.98044 24.00831 24.01254 24.07715 24.11016 24.11581 24.20251 35.50101 35.57281 35.66872 50.06256 66.76962 66.83064 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.079067 -0.075602 -0.290544 0.087833 0.046347 -0.049686 0.237648 -0.174776 -1.028875 -0.601307 -0.310677 -0.375928 1.035433 0.312687 -0.240391 -0.014726 -0.441484 -0.387549 -0.254951 0.735553 -0.880466 0.031010 -0.118651 -0.257613 0.153615 0.158526 0.199514 0.140162 0.145215 0.142693 0.140080 0.167921 0.163021 0.122331 0.160418 0.120497 0.275783 0.124270 0.149399 0.204009 0.187057 0.155966 0.185304 -0.00000 -3.6886 2.1162 -1.2379 4.4290 -112.2699 -146.1272 -142.1702 2.8238 8.1327 2.6910 21.2525 -12.6048 -8.6478 2.8238 8.1327 2.6910 -152.2575 11.3039 17.8050 -2.4235 -25.3644 -43.0424 -35.0187 14.9698 17.2785 -2.7192 -5592.8870 -2372.3319 -1449.6805 90.1801 240.2578 -55.7564 42.4871 -31.4681 54.7038 -1444.4054 -1291.2628 -655.0530 72.3080 -22.3673 26.0235 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2021-12-24T00:00:00.000 0 Wavefunction sedaxane_cis/ CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.8220761 RMSD=4.201e-09 Dipole=1.4694621,0.8077692,0.4738911 Quadrupole=15.8045344,-9.299905,-6.5046294,-2.5486108,5.8532342,-2.082031 PG=C01 [X(C18H19F2N3O1)] 0 0.9504791568 1.5184795903 -1.7106321658 0 1.3773333357 -0.332772012 -2.8204474125 0 0.5450911975 -2.3516858949 1.213258466 0 -0.4070843649 -0.7696595454 -0.1546307737 0 4.1316378101 -0.3960788493 0.557263854 0 3.8461067052 0.2617410765 -0.579252647 0 -1.6006703969 2.2639721806 0.0374286312 0 -1.4463594109 1.9565505608 1.4933973869 0 -2.2326440103 1.2507975082 -0.9140813011 0 -2.9639915887 2.5221626833 -0.55118972 0 -0.8325945142 2.9799878138 2.4185543601 0 -0.0701944698 1.7222427971 2.0690436707 0 -2.7067890474 -0.0851885328 -0.4305548317 0 -1.7799196647 -1.0817390924 -0.0484147141 0 -4.0681896252 -0.381726793 -0.3629554401 0 -2.2337279641 -2.3303410378 0.3950045313 0 -4.5244575328 -1.6219910652 0.077681167 0 -3.5998276253 -2.5907978664 0.4565714475 0 0.6454997615 -1.3857874091 0.4675489512 0 1.9881612876 -0.793045364 0.2108790809 0 2.5526602958 0.0323207252 -0.7999999908 0 3.0560142126 -1.044309 1.0560122227 0 1.9660894157 0.6229909193 -2.0324978825 0 5.4803265705 -0.3458021368 1.1004623476 0 -0.778524547 2.8350908898 -0.3835978886 0 -2.2426023693 1.3495077333 1.9122059381 0 -1.7950558451 1.23602488 -1.9100502818 0 -3.8098025069 2.4351195164 0.1217702621 0 -3.0718507596 3.2877513577 -1.3103205981 0 -1.2367992515 3.077389827 3.4194134284 0 -0.4947797058 3.9127810773 1.9803425397 0 0.7759342207 1.816051224 1.3971360172 0 0.0451048021 0.9549815384 2.8254545613 0 -4.7788822576 0.3799721645 -0.6628342292 0 -1.5183477967 -3.0783612323 0.6978514952 0 -5.5879041263 -1.8267607617 0.1227426023 0 -0.2124550389 0.1193979365 -0.591032538 0 -3.9363619795 -3.5612988114 0.8035890863 0 3.0903659085 -1.6386570359 1.9541217392 0 2.7103576383 1.159835182 -2.6207817815 0 5.734783337 0.6811329928 1.3660491538 0 5.5221671284 -0.9744251966 1.9887138088 0 6.1879781938 -0.7142603077 0.3571992704 Gaussian 16 24-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/gas/CO #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 sedaxane_cis/ CONF1 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 19 19 16 14 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 666 A 642 A 642 1016 666 87 87 2137.2209566344 43 43 43 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 -0.0478735180 0.000000 2.200233 0.000000 4.867408 4.586875 0.000000 3.082158 3.237529 2.297948 0.000000 4.350708 4.358800 4.137396 4.609377 0.000000 3.353218 3.386922 4.576003 4.397013 1.343847 0.000000 3.181170 4.876376 5.224095 3.265648 6.340777 5.835804 0.000000 4.025239 5.641232 4.754498 3.350867 6.125787 5.931143 1.496050 0.000000 3.292176 4.378797 5.021880 2.826956 6.736553 6.167783 1.526855 2.629122 0.000000 4.204137 5.669858 6.259500 4.187019 7.751952 7.175495 1.507242 2.608344 1.510936 0.000000 4.729222 6.580676 5.637154 4.567515 6.285366 6.185948 2.602379 1.509982 4.007081 3.683997 0.000000 3.920363 5.497776 4.208068 3.356754 4.942485 4.948126 2.600632 1.510000 3.714496 3.984916 1.511732 0.000000 4.193562 4.738453 4.291137 2.415218 6.916395 6.563758 2.638383 3.075544 1.497822 2.622782 4.585339 4.057885 0.000000 4.120580 4.267712 2.934324 1.411861 5.981930 5.808520 3.351609 3.423398 2.528847 3.826606 4.845718 3.907570 1.413588 0.000000 5.532997 5.974561 5.258094 3.687490 8.251314 7.943357 3.639874 3.973359 2.517559 3.112436 5.432034 5.130816 1.394961 2.413531 0.000000 5.420913 5.231556 2.896866 2.464640 6.654741 6.680753 4.651488 4.494870 3.812907 4.997535 5.852993 4.889450 2.438451 1.400560 2.781519 0.000000 6.560149 6.700177 5.246171 4.211081 8.755618 8.605019 4.863215 4.927971 3.806431 4.472644 6.347263 5.915225 2.433924 2.800047 1.393053 2.418656 0.000000 6.502940 6.372571 4.220202 3.726087 8.037567 8.040637 5.266982 5.137199 4.301829 5.249975 6.522316 5.801784 2.804031 2.417506 2.402287 1.392069 1.391792 0.000000 3.643110 3.529213 1.224387 1.369180 3.625015 3.748870 4.307091 4.074244 4.140555 5.416487 5.005115 3.568873 3.706209 2.498264 4.890475 3.031072 5.190014 4.413046 0.000000 3.179959 3.126324 2.348739 2.423086 2.207274 2.277903 4.717537 4.582692 4.822658 6.007926 5.202526 3.743832 4.791144 3.788009 6.097365 4.496835 6.566513 5.875194 1.489954 0.000000 2.367468 2.365776 3.710395 3.133650 2.125761 1.332054 4.788707 4.995447 4.939315 6.057612 5.523385 4.238704 5.273718 4.536216 6.648165 5.469892 7.320701 6.805353 2.693506 1.421888 0.000000 4.319200 4.283829 2.835259 3.678878 1.351265 2.236986 5.802323 5.428428 6.092511 7.179365 5.759580 4.295721 6.028241 4.960586 7.294297 5.483811 7.665142 6.859387 2.504691 1.384808 2.203923 0.000000 1.391748 1.371489 4.626324 3.331338 3.526325 2.403516 4.438377 5.084794 4.390257 5.486969 5.761938 4.709294 4.990344 4.568947 6.341085 5.679208 7.184706 6.892266 3.468340 2.652996 1.487282 3.675149 0.000000 5.647771 5.675232 5.328493 6.034610 1.454838 2.420997 7.621121 7.309870 8.130033 9.069713 7.256116 6.001937 8.333114 7.387334 9.660075 7.996418 10.137576 9.375703 4.985750 3.631336 3.510835 2.523327 4.806648 0.000000 2.546358 4.541070 5.586104 3.631063 5.952762 5.296001 1.085985 2.177372 2.214918 2.214109 2.806417 2.784890 3.499777 4.056685 4.601113 5.422686 5.840409 6.172998 4.535208 4.601231 4.373294 5.641446 3.891679 7.175913 0.000000 4.832109 6.191285 4.686000 3.483075 6.746397 6.668057 2.182455 1.085313 2.828028 2.822028 2.214267 2.209725 2.786100 3.157383 3.392094 3.980360 4.171588 4.414401 4.232022 5.038294 5.664414 5.876969 5.813914 7.948373 3.101805 0.000000 2.767221 3.654312 5.301228 3.005118 6.623979 5.877326 2.210687 3.496313 1.087959 2.206142 4.764930 4.364028 2.183064 2.972868 3.190260 4.269037 4.423682 4.847955 4.299208 4.788340 4.645832 6.126200 3.812744 8.030975 2.433188 3.850041 0.000000 5.182491 6.574515 6.562770 4.682467 8.442264 7.989240 2.217356 2.774212 2.227787 1.084365 3.799456 4.276065 2.806003 4.064195 2.869903 5.026757 4.119808 5.041431 5.879508 6.636669 6.863238 7.753623 6.425388 9.746685 3.099035 2.615402 3.102471 0.000000 4.412449 5.931603 7.159188 4.989908 8.303537 7.586128 2.242526 3.503591 2.238404 1.083531 4.360447 4.783394 3.504851 4.727995 3.918579 5.930729 5.304921 6.161007 6.230689 6.676127 6.518695 7.868736 5.744852 9.599704 2.514570 3.850859 2.489872 1.822756 0.000000 5.790661 7.576197 6.125122 5.316202 7.005498 7.053591 3.497409 2.238243 4.807008 4.365451 1.083784 2.240734 5.194711 5.442349 5.855645 6.275705 6.637775 6.818408 5.672434 5.972883 6.437072 6.403305 6.782765 7.887684 3.838179 2.503775 5.666168 4.231703 5.077603 0.000000 4.630847 6.676609 6.396350 5.146946 6.480368 6.222935 2.777855 2.229228 4.299304 3.799932 1.084551 2.233069 5.166156 5.541902 6.058308 6.671867 7.105781 7.366121 5.627043 5.607210 5.663494 6.167274 5.742951 7.389967 2.613454 3.103208 4.898050 4.077640 4.226159 1.821921 0.000000 3.126858 4.771492 4.178173 3.239354 4.106051 3.968369 2.774471 2.228810 3.835724 4.275700 2.232803 1.084525 4.368584 4.125433 5.603007 5.220623 6.454088 6.281104 3.336602 3.111926 3.341535 3.673798 3.821289 5.185840 2.574062 3.097503 4.228936 4.799873 4.929673 3.119564 2.520143 0.000000 4.659755 5.942167 3.712575 3.472718 4.865162 5.149780 3.492151 2.236511 4.388596 4.786695 2.244231 1.083578 4.388220 3.967124 5.373261 4.679050 5.922157 5.609785 3.376299 3.696900 4.503672 4.024135 5.234511 5.848869 3.809356 2.494650 5.088240 4.935689 5.679953 2.549644 3.123182 1.820892 0.000000 5.934616 6.562186 6.271074 4.548905 9.027085 8.626204 3.760433 4.270907 2.702738 2.809853 5.641651 5.606834 2.136328 3.392328 1.084065 3.865570 2.149640 3.386549 5.815462 6.923310 7.341062 8.146693 6.886921 10.434909 4.701962 3.742131 3.345384 2.403820 3.433420 6.040460 6.149850 6.096047 5.980773 0.000000 5.746899 5.319930 2.247550 2.700321 6.255936 6.447065 5.383629 5.097883 4.674416 5.917420 6.335193 5.198376 3.412444 2.147518 3.859902 1.078434 3.397399 2.151393 2.756825 4.213718 5.337884 5.019007 5.770279 7.523989 6.056879 4.648142 5.048925 5.998425 6.853723 6.736426 7.181124 5.450505 4.820678 4.943948 0.000000 7.569832 7.707717 6.251272 5.294836 9.833878 9.687889 5.713091 5.774472 4.669490 5.123694 7.140627 6.843145 3.411750 3.883954 2.152570 3.402678 1.083919 2.155839 6.258488 7.646771 8.400978 8.729292 8.228558 11.209590 6.717096 4.947919 5.281913 4.617929 5.877281 7.338314 7.895121 7.442620 6.839118 2.478168 4.296341 0.000000 2.136200 2.775279 3.152078 1.009332 4.522769 4.061074 2.630837 3.040148 2.337860 3.653193 4.198233 3.108915 2.507850 2.047953 3.894847 3.325513 4.698189 4.462839 2.030336 2.513628 2.774367 3.840555 2.660354 5.956956 2.781807 3.449764 2.343350 4.337230 4.328046 5.087502 4.591452 2.794344 3.526602 4.574419 3.686766 5.761290 0.000000 7.483761 7.196693 4.659873 4.600786 8.670174 8.780359 6.322677 6.092833 5.386030 6.307887 7.418215 6.668166 3.888226 3.394756 3.389378 2.140365 2.152606 1.084227 5.083230 6.566164 7.589006 7.435878 7.771139 9.954977 7.231539 5.311673 5.912981 6.036384 7.219798 7.629047 8.312106 7.174533 6.351126 4.288806 2.468036 2.489933 5.418485 0.000000 5.289333 5.237970 2.745125 4.175422 2.139967 3.255863 6.396096 5.806863 6.701490 7.761717 6.077598 4.614975 6.458092 5.295280 7.628475 5.590639 7.842630 6.921555 2.872492 2.229083 3.265958 1.077511 4.719342 2.848178 6.359848 6.113218 6.860245 8.219823 8.538091 6.566014 6.608511 4.195454 4.093873 8.535127 4.989109 8.871398 4.525173 7.375309 0.000000 2.013497 2.011143 5.631964 4.418517 3.813251 2.502866 5.183644 5.902501 5.230140 6.191719 6.423424 5.481080 5.974333 5.639532 7.309097 6.761677 8.207485 7.959635 4.503512 3.514771 2.147418 4.300761 1.090053 4.877226 4.470321 6.716827 4.561764 7.187519 6.299148 7.465991 6.246756 4.507358 6.066880 7.780132 6.845260 9.236224 3.707455 8.842754 5.376403 0.000000 5.749494 6.127163 6.012840 6.491518 2.093942 2.743572 7.620990 7.294636 8.306829 9.095817 7.037255 5.939350 8.664593 7.847241 10.010864 8.573743 10.593219 9.933159 5.565992 4.188651 3.903669 3.201418 5.075092 1.090816 7.079829 8.023945 8.230383 9.783855 9.566306 7.652537 7.044740 5.087159 5.880247 10.711873 8.196841 11.663558 6.286124 10.575710 3.566539 5.027040 0.000000 6.387493 6.381175 5.222017 6.308080 2.077764 3.306318 8.064090 7.576036 8.574085 9.523241 7.497009 6.209105 8.623185 7.581681 9.892249 8.033201 10.247246 9.389937 5.124944 3.960151 4.196240 2.637561 5.600676 1.088994 7.735567 8.105440 8.580688 10.109210 10.144305 8.009228 7.751678 5.537459 5.866938 10.722720 7.460678 11.297876 6.382588 9.877257 2.521122 5.805927 1.781513 0.000000 6.057429 5.777999 5.937691 6.615126 2.090407 2.704419 8.344769 8.167453 8.739822 9.749777 8.196651 6.930489 8.951713 7.986674 10.286796 8.575446 10.754459 9.966565 5.584102 4.203103 3.887419 3.225906 5.032220 1.090400 7.853587 8.817702 8.524838 10.484734 10.224537 8.881502 8.288749 6.064171 6.827411 11.068416 8.067991 11.830640 6.523778 10.526498 3.605534 4.947166 1.780530 1.781244 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9441,1.4998,1.7396;-1.4123,-.3401,2.8516;-.587,-2.3859,-1.17;.3835,-.817,.2002;-4.1425,-.3642,-.5461;-3.8535,.2918,.5905;1.6328,2.1941,.0082;1.4836,1.8851,-1.448;2.2394,1.1726,.9673;2.9962,2.4295,.6061;.8951,2.9166,-2.3806;.1077,1.6738,-2.0331;2.693,-.1732,.4911;1.7512,-1.1541,.105;4.0493,-.4943,.4344;2.1857,-2.4119,-.3314;4.4864,-1.7439,.0007;3.5473,-2.6971,-.3822;-.6755,-1.4161,-.4279;-2.0091,-.7985,-.1828;-2.566,.0399,.8215;-3.0751,-1.0331,-1.0351;-1.978,.6237,2.0565;-5.4861,-.2913,-1.0994;.818,2.7811,.4215;2.2718,1.2626,-1.8592;1.7944,1.1687,1.96;3.8452,2.3253,-.0604;3.1122,3.1953,1.3638;1.3083,3.0036,-3.3787;.5709,3.8566,-1.9476;-.7415,1.7848,-1.3677;-.0159,.9064,-2.7881;4.7714,.2554,.7373;1.4592,-3.1479,-.6374;5.5463,-1.9679,-.0359;.2017,.0767,.6326;3.8689,-3.6745,-.7239;-3.1135,-1.6295,-1.9317;-2.7167,1.1756,2.6378;-5.7201,.7392,-1.3698;-5.5327,-.9218,-1.9861;-6.2056,-.6448,-.3603; 0.3678550 0.1712969 0.1568448 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= 642 RedAO= T EigKep= 1.21D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 6.14D-07 NBFU= 639 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= 663 663 663 663 663 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.82207608662 -1136.82207609 1 1.132256820636e+03 -6.930249593392e+03 2.523997613553e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245822358 LenY= 4245378136 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 4.3158 287.28 0.2857 0.000 87 88 0.69757 -1136.66347462 2 Singlet-A 4.6061 269.18 0.0141 0.000 83 88 0.12759 84 88 0.13666 85 88 0.39286 86 88 0.48744 87 90 -0.23523 3 Singlet-A 4.6877 264.49 0.0075 0.000 87 89 0.69653 4 Singlet-A 4.7462 261.23 0.0079 0.000 83 88 0.15433 84 88 0.24494 85 88 0.43924 86 88 -0.30225 87 90 0.30561 5 Singlet-A 5.1295 241.71 0.0745 0.000 84 88 0.17210 85 88 -0.20439 86 88 0.38608 86 92 0.15648 87 90 0.47945 6 Singlet-A 5.3384 232.25 0.0026 0.000 86 89 0.58316 87 91 0.36661 7 Singlet-A 5.3428 232.06 0.0058 0.000 86 89 -0.37922 87 91 0.58090 8 Singlet-A 5.5049 225.22 0.0205 0.000 83 88 0.10802 86 90 -0.29888 87 90 0.10536 87 91 -0.11344 87 92 0.59342 9 Singlet-A 5.5136 224.87 0.0172 0.000 84 88 0.59038 85 88 -0.23487 86 92 -0.11371 87 90 -0.18011 87 93 0.16794 10 Singlet-A 5.5978 221.49 0.0076 0.000 84 88 -0.11680 86 90 -0.11254 87 93 0.50968 87 94 -0.40231 87 96 0.14108 PT44100.500S 2021-12-24T17:05:00.000 -24.70658 -24.70203 -19.09489 -14.42739 -14.36416 -14.35209 -10.35781 -10.28962 -10.24063 -10.23580 -10.23293 -10.21846 -10.20358 -10.18408 -10.18304 -10.18287 -10.17806 -10.17297 -10.17041 -10.16937 -10.16907 -10.16812 -10.16717 -10.16506 -1.27102 -1.21322 -1.09097 -1.04889 -0.94763 -0.88668 -0.88130 -0.85326 -0.83766 -0.82447 -0.77190 -0.75324 -0.74742 -0.71162 -0.66317 -0.64409 -0.63877 -0.62384 -0.61249 -0.60069 -0.58573 -0.58286 -0.57212 -0.56424 -0.55919 -0.55639 -0.53192 -0.51558 -0.51099 -0.50536 -0.49800 -0.48957 -0.46885 -0.46112 -0.45382 -0.45132 -0.45082 -0.44290 -0.43674 -0.43124 -0.42715 -0.42324 -0.42096 -0.41763 -0.41636 -0.38717 -0.37999 -0.37136 -0.36726 -0.36126 -0.35485 -0.34326 -0.33803 -0.33637 -0.31406 -0.30968 -0.29295 -0.28470 -0.27942 -0.26878 -0.26439 -0.24286 -0.22143 -0.04456 -0.02957 -0.01154 -0.01018 0.00138 0.00652 0.01029 0.01657 0.01890 0.02231 0.02651 0.03137 0.03456 0.03675 0.04243 0.04745 0.05019 0.05229 0.05784 0.06020 0.06318 0.06891 0.07155 0.07749 0.07981 0.07992 0.08201 0.08573 0.09451 0.09716 0.10173 0.10625 0.10695 0.10883 0.11439 0.11829 0.12343 0.12592 0.12766 0.13127 0.13444 0.13728 0.13864 0.14405 0.14630 0.14918 0.15388 0.15575 0.15703 0.15873 0.16086 0.16374 0.16507 0.16858 0.17300 0.17414 0.17569 0.17936 0.18359 0.18455 0.18785 0.19038 0.19446 0.19593 0.19798 0.20100 0.20146 0.20382 0.20960 0.21033 0.21205 0.21322 0.21559 0.21850 0.22052 0.22475 0.22770 0.22953 0.23277 0.23418 0.23802 0.24145 0.24276 0.24686 0.24919 0.25268 0.25405 0.25903 0.26250 0.26632 0.26784 0.27059 0.27482 0.27797 0.27967 0.28575 0.28802 0.29114 0.29320 0.29522 0.29833 0.30560 0.30740 0.31084 0.31271 0.31551 0.31838 0.32344 0.32504 0.32800 0.33641 0.34057 0.34533 0.34767 0.35314 0.35425 0.35724 0.36363 0.36592 0.36776 0.37333 0.37662 0.38094 0.38428 0.38949 0.39220 0.39844 0.40133 0.40715 0.41464 0.41989 0.42781 0.43086 0.43655 0.44012 0.44853 0.45317 0.45802 0.46880 0.47368 0.47886 0.48168 0.49353 0.49582 0.50410 0.51429 0.52187 0.52627 0.53961 0.54468 0.54764 0.55388 0.55625 0.56057 0.56517 0.56613 0.57262 0.57562 0.59284 0.59417 0.59708 0.60139 0.60886 0.61358 0.61617 0.62324 0.63259 0.64053 0.64771 0.64960 0.65656 0.66208 0.66447 0.66865 0.67844 0.67977 0.68501 0.69096 0.69560 0.69731 0.70068 0.70228 0.70785 0.71063 0.71197 0.72165 0.72342 0.72792 0.73458 0.73982 0.74407 0.74774 0.75371 0.75446 0.75638 0.76773 0.77102 0.78380 0.78559 0.79493 0.80083 0.80550 0.81812 0.81962 0.82418 0.83225 0.83462 0.83913 0.84678 0.85857 0.86277 0.86871 0.88549 0.88792 0.89589 0.90074 0.91060 0.91520 0.92630 0.93410 0.94215 0.94411 0.96023 0.96799 0.97076 0.97466 0.98255 0.99438 1.00087 1.00678 1.01493 1.02863 1.03265 1.03694 1.05080 1.05408 1.06656 1.07269 1.08217 1.09738 1.10478 1.11218 1.12140 1.13068 1.14759 1.15133 1.15396 1.16050 1.19905 1.20374 1.20722 1.21866 1.23338 1.24614 1.25310 1.26648 1.28009 1.28894 1.29632 1.29885 1.30738 1.31447 1.32316 1.34697 1.36079 1.36482 1.38164 1.38731 1.39602 1.40355 1.41343 1.42188 1.43609 1.45269 1.46218 1.46702 1.48881 1.49298 1.49526 1.50266 1.51590 1.51992 1.52381 1.52767 1.53047 1.53357 1.53731 1.54738 1.55060 1.55618 1.56960 1.57863 1.58284 1.58975 1.59422 1.60116 1.60670 1.61235 1.61903 1.62451 1.63130 1.63870 1.64782 1.65278 1.65670 1.67156 1.67517 1.67867 1.68472 1.70122 1.70900 1.71756 1.72771 1.73162 1.74133 1.74981 1.75647 1.76509 1.77075 1.77970 1.78533 1.79661 1.80511 1.81657 1.82180 1.82743 1.83890 1.85087 1.85624 1.86298 1.87078 1.88185 1.88834 1.89584 1.90498 1.90875 1.92074 1.92686 1.92740 1.93680 1.94112 1.95423 1.96552 1.97420 1.98956 1.99403 1.99870 2.01018 2.01471 2.02650 2.04533 2.05107 2.05240 2.05527 2.06439 2.07396 2.07695 2.08774 2.09439 2.10438 2.13448 2.13945 2.14967 2.16321 2.16941 2.17842 2.18091 2.20372 2.21804 2.21925 2.22873 2.23599 2.25306 2.26422 2.28500 2.29832 2.32288 2.33157 2.34063 2.36566 2.37242 2.39027 2.39669 2.39960 2.42430 2.42807 2.44236 2.44773 2.45290 2.45841 2.46730 2.47598 2.48421 2.50175 2.50806 2.51511 2.52096 2.54966 2.56604 2.57822 2.59655 2.60776 2.62094 2.63935 2.64943 2.66188 2.66718 2.67880 2.68231 2.70766 2.71024 2.71264 2.73019 2.73186 2.75087 2.75545 2.76937 2.77129 2.77752 2.78605 2.79212 2.79969 2.80403 2.81980 2.82568 2.83515 2.85194 2.85933 2.86551 2.87164 2.87861 2.89318 2.90561 2.92075 2.92706 2.93242 2.93886 2.94201 2.95059 2.95729 2.97164 2.97570 2.98892 2.99527 3.01180 3.01696 3.02760 3.03743 3.04387 3.05852 3.07738 3.10084 3.11128 3.15951 3.17226 3.17721 3.20754 3.22014 3.25210 3.28000 3.31834 3.33453 3.36632 3.37127 3.40165 3.40678 3.43442 3.43906 3.47449 3.50407 3.51306 3.54903 3.57116 3.58155 3.59835 3.61634 3.62909 3.63937 3.67841 3.69073 3.70703 3.72418 3.75554 3.77542 3.78353 3.79766 3.80050 3.83073 3.84825 3.85317 3.88027 3.89764 3.95752 3.96992 4.00109 4.01401 4.02812 4.04812 4.06799 4.07493 4.10292 4.13861 4.14939 4.20551 4.22390 4.29391 4.35590 4.37730 4.43718 4.53812 4.60555 4.65066 4.77976 4.86024 4.89659 4.92092 4.97989 5.13545 5.14215 5.31289 5.42987 5.83156 6.37954 6.40261 6.41421 6.48562 6.59670 6.70212 23.62997 23.67420 23.76716 23.86795 23.89067 23.90052 23.90900 23.91475 23.93270 23.94660 23.97659 23.98044 24.00831 24.01254 24.07715 24.11016 24.11581 24.20251 35.50101 35.57281 35.66872 50.06256 66.76962 66.83064 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.079067 -0.075602 -0.290544 0.087833 0.046347 -0.049686 0.237648 -0.174776 -1.028875 -0.601307 -0.310677 -0.375928 1.035433 0.312687 -0.240391 -0.014726 -0.441484 -0.387549 -0.254951 0.735553 -0.880466 0.031010 -0.118651 -0.257613 0.153615 0.158526 0.199514 0.140162 0.145215 0.142693 0.140080 0.167921 0.163021 0.122331 0.160418 0.120497 0.275783 0.124270 0.149399 0.204009 0.187057 0.155966 0.185304 -0.00000 -3.6886 2.1162 -1.2379 4.4290 -112.2699 -146.1272 -142.1702 2.8238 8.1327 2.6910 21.2525 -12.6048 -8.6478 2.8238 8.1327 2.6910 -152.2575 11.3039 17.8050 -2.4235 -25.3644 -43.0424 -35.0187 14.9698 17.2785 -2.7192 -5592.8870 -2372.3319 -1449.6805 90.1801 240.2578 -55.7564 42.4871 -31.4681 54.7038 -1444.4054 -1291.2628 -655.0530 72.3080 -22.3673 26.0235 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2021-12-24T00:00:00.000 0 Electronic spectrum sedaxane_cis/CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.8220761 RMSD=4.257e-09 PG=C01 [X(C18H19F2N3O1)] 0 0.9504791568 1.5184795903 -1.7106321658 0 1.3773333357 -0.332772012 -2.8204474125 0 0.5450911975 -2.3516858949 1.213258466 0 -0.4070843649 -0.7696595454 -0.1546307737 0 4.1316378101 -0.3960788493 0.557263854 0 3.8461067052 0.2617410765 -0.579252647 0 -1.6006703969 2.2639721806 0.0374286312 0 -1.4463594109 1.9565505608 1.4933973869 0 -2.2326440103 1.2507975082 -0.9140813011 0 -2.9639915887 2.5221626833 -0.55118972 0 -0.8325945142 2.9799878138 2.4185543601 0 -0.0701944698 1.7222427971 2.0690436707 0 -2.7067890474 -0.0851885328 -0.4305548317 0 -1.7799196647 -1.0817390924 -0.0484147141 0 -4.0681896252 -0.381726793 -0.3629554401 0 -2.2337279641 -2.3303410378 0.3950045313 0 -4.5244575328 -1.6219910652 0.077681167 0 -3.5998276253 -2.5907978664 0.4565714475 0 0.6454997615 -1.3857874091 0.4675489512 0 1.9881612876 -0.793045364 0.2108790809 0 2.5526602958 0.0323207252 -0.7999999908 0 3.0560142126 -1.044309 1.0560122227 0 1.9660894157 0.6229909193 -2.0324978825 0 5.4803265705 -0.3458021368 1.1004623476 0 -0.778524547 2.8350908898 -0.3835978886 0 -2.2426023693 1.3495077333 1.9122059381 0 -1.7950558451 1.23602488 -1.9100502818 0 -3.8098025069 2.4351195164 0.1217702621 0 -3.0718507596 3.2877513577 -1.3103205981 0 -1.2367992515 3.077389827 3.4194134284 0 -0.4947797058 3.9127810773 1.9803425397 0 0.7759342207 1.816051224 1.3971360172 0 0.0451048021 0.9549815384 2.8254545613 0 -4.7788822576 0.3799721645 -0.6628342292 0 -1.5183477967 -3.0783612323 0.6978514952 0 -5.5879041263 -1.8267607617 0.1227426023 0 -0.2124550389 0.1193979365 -0.591032538 0 -3.9363619795 -3.5612988114 0.8035890863 0 3.0903659085 -1.6386570359 1.9541217392 0 2.7103576383 1.159835182 -2.6207817815 0 5.734783337 0.6811329928 1.3660491538 0 5.5221671284 -0.9744251966 1.9887138088 0 6.1879781938 -0.7142603077 0.3571992704 Gaussian 16 24-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9505,1.5185,-1.7106;1.3773,-.3328,-2.8204;.5451,-2.3517,1.2133;-.4071,-.7697,-.1546;4.1316,-.3961,.5573;3.8461,.2617,-.5793;-1.6007,2.264,.0374;-1.4464,1.9566,1.4934;-2.2326,1.2508,-.9141;-2.964,2.5222,-.5512;-.8326,2.98,2.4186;-.0702,1.7222,2.069;-2.7068,-.0852,-.4306;-1.7799,-1.0817,-.0484;-4.0682,-.3817,-.363;-2.2337,-2.3303,.395;-4.5245,-1.622,.0777;-3.5998,-2.5908,.4566;.6455,-1.3858,.4675;1.9882,-.793,.2109;2.5527,.0323,-.8;3.056,-1.0443,1.056;1.9661,.623,-2.0325;5.4803,-.3458,1.1005;-.7785,2.8351,-.3836;-2.2426,1.3495,1.9122;-1.7951,1.236,-1.9101;-3.8098,2.4351,.1218;-3.0719,3.2878,-1.3103;-1.2368,3.0774,3.4194;-.4948,3.9128,1.9803;.7759,1.8161,1.3971;.0451,.955,2.8255;-4.7789,.38,-.6628;-1.5183,-3.0784,.6979;-5.5879,-1.8268,.1227;-.2125,.1194,-.591;-3.9364,-3.5613,.8036;3.0904,-1.6387,1.9541;2.7104,1.1598,-2.6208;5.7348,.6811,1.366;5.5222,-.9744,1.9887;6.188,-.7143,.3572; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/gas/CO #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 sedaxane_cis/ CONF1 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 19 19 16 14 14 14 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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 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 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1251 A 1107 A 1107 1601 1251 87 87 2137.2209566344 43 43 43 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 -0.0478735180 0.000000 2.200233 0.000000 4.867408 4.586875 0.000000 3.082158 3.237529 2.297948 0.000000 4.350708 4.358800 4.137396 4.609377 0.000000 3.353218 3.386922 4.576003 4.397013 1.343847 0.000000 3.181170 4.876376 5.224095 3.265648 6.340777 5.835804 0.000000 4.025239 5.641232 4.754498 3.350867 6.125787 5.931143 1.496050 0.000000 3.292176 4.378797 5.021880 2.826956 6.736553 6.167783 1.526855 2.629122 0.000000 4.204137 5.669858 6.259500 4.187019 7.751952 7.175495 1.507242 2.608344 1.510936 0.000000 4.729222 6.580676 5.637154 4.567515 6.285366 6.185948 2.602379 1.509982 4.007081 3.683997 0.000000 3.920363 5.497776 4.208068 3.356754 4.942485 4.948126 2.600632 1.510000 3.714496 3.984916 1.511732 0.000000 4.193562 4.738453 4.291137 2.415218 6.916395 6.563758 2.638383 3.075544 1.497822 2.622782 4.585339 4.057885 0.000000 4.120580 4.267712 2.934324 1.411861 5.981930 5.808520 3.351609 3.423398 2.528847 3.826606 4.845718 3.907570 1.413588 0.000000 5.532997 5.974561 5.258094 3.687490 8.251314 7.943357 3.639874 3.973359 2.517559 3.112436 5.432034 5.130816 1.394961 2.413531 0.000000 5.420913 5.231556 2.896866 2.464640 6.654741 6.680753 4.651488 4.494870 3.812907 4.997535 5.852993 4.889450 2.438451 1.400560 2.781519 0.000000 6.560149 6.700177 5.246171 4.211081 8.755618 8.605019 4.863215 4.927971 3.806431 4.472644 6.347263 5.915225 2.433924 2.800047 1.393053 2.418656 0.000000 6.502940 6.372571 4.220202 3.726087 8.037567 8.040637 5.266982 5.137199 4.301829 5.249975 6.522316 5.801784 2.804031 2.417506 2.402287 1.392069 1.391792 0.000000 3.643110 3.529213 1.224387 1.369180 3.625015 3.748870 4.307091 4.074244 4.140555 5.416487 5.005115 3.568873 3.706209 2.498264 4.890475 3.031072 5.190014 4.413046 0.000000 3.179959 3.126324 2.348739 2.423086 2.207274 2.277903 4.717537 4.582692 4.822658 6.007926 5.202526 3.743832 4.791144 3.788009 6.097365 4.496835 6.566513 5.875194 1.489954 0.000000 2.367468 2.365776 3.710395 3.133650 2.125761 1.332054 4.788707 4.995447 4.939315 6.057612 5.523385 4.238704 5.273718 4.536216 6.648165 5.469892 7.320701 6.805353 2.693506 1.421888 0.000000 4.319200 4.283829 2.835259 3.678878 1.351265 2.236986 5.802323 5.428428 6.092511 7.179365 5.759580 4.295721 6.028241 4.960586 7.294297 5.483811 7.665142 6.859387 2.504691 1.384808 2.203923 0.000000 1.391748 1.371489 4.626324 3.331338 3.526325 2.403516 4.438377 5.084794 4.390257 5.486969 5.761938 4.709294 4.990344 4.568947 6.341085 5.679208 7.184706 6.892266 3.468340 2.652996 1.487282 3.675149 0.000000 5.647771 5.675232 5.328493 6.034610 1.454838 2.420997 7.621121 7.309870 8.130033 9.069713 7.256116 6.001937 8.333114 7.387334 9.660075 7.996418 10.137576 9.375703 4.985750 3.631336 3.510835 2.523327 4.806648 0.000000 2.546358 4.541070 5.586104 3.631063 5.952762 5.296001 1.085985 2.177372 2.214918 2.214109 2.806417 2.784890 3.499777 4.056685 4.601113 5.422686 5.840409 6.172998 4.535208 4.601231 4.373294 5.641446 3.891679 7.175913 0.000000 4.832109 6.191285 4.686000 3.483075 6.746397 6.668057 2.182455 1.085313 2.828028 2.822028 2.214267 2.209725 2.786100 3.157383 3.392094 3.980360 4.171588 4.414401 4.232022 5.038294 5.664414 5.876969 5.813914 7.948373 3.101805 0.000000 2.767221 3.654312 5.301228 3.005118 6.623979 5.877326 2.210687 3.496313 1.087959 2.206142 4.764930 4.364028 2.183064 2.972868 3.190260 4.269037 4.423682 4.847955 4.299208 4.788340 4.645832 6.126200 3.812744 8.030975 2.433188 3.850041 0.000000 5.182491 6.574515 6.562770 4.682467 8.442264 7.989240 2.217356 2.774212 2.227787 1.084365 3.799456 4.276065 2.806003 4.064195 2.869903 5.026757 4.119808 5.041431 5.879508 6.636669 6.863238 7.753623 6.425388 9.746685 3.099035 2.615402 3.102471 0.000000 4.412449 5.931603 7.159188 4.989908 8.303537 7.586128 2.242526 3.503591 2.238404 1.083531 4.360447 4.783394 3.504851 4.727995 3.918579 5.930729 5.304921 6.161007 6.230689 6.676127 6.518695 7.868736 5.744852 9.599704 2.514570 3.850859 2.489872 1.822756 0.000000 5.790661 7.576197 6.125122 5.316202 7.005498 7.053591 3.497409 2.238243 4.807008 4.365451 1.083784 2.240734 5.194711 5.442349 5.855645 6.275705 6.637775 6.818408 5.672434 5.972883 6.437072 6.403305 6.782765 7.887684 3.838179 2.503775 5.666168 4.231703 5.077603 0.000000 4.630847 6.676609 6.396350 5.146946 6.480368 6.222935 2.777855 2.229228 4.299304 3.799932 1.084551 2.233069 5.166156 5.541902 6.058308 6.671867 7.105781 7.366121 5.627043 5.607210 5.663494 6.167274 5.742951 7.389967 2.613454 3.103208 4.898050 4.077640 4.226159 1.821921 0.000000 3.126858 4.771492 4.178173 3.239354 4.106051 3.968369 2.774471 2.228810 3.835724 4.275700 2.232803 1.084525 4.368584 4.125433 5.603007 5.220623 6.454088 6.281104 3.336602 3.111926 3.341535 3.673798 3.821289 5.185840 2.574062 3.097503 4.228936 4.799873 4.929673 3.119564 2.520143 0.000000 4.659755 5.942167 3.712575 3.472718 4.865162 5.149780 3.492151 2.236511 4.388596 4.786695 2.244231 1.083578 4.388220 3.967124 5.373261 4.679050 5.922157 5.609785 3.376299 3.696900 4.503672 4.024135 5.234511 5.848869 3.809356 2.494650 5.088240 4.935689 5.679953 2.549644 3.123182 1.820892 0.000000 5.934616 6.562186 6.271074 4.548905 9.027085 8.626204 3.760433 4.270907 2.702738 2.809853 5.641651 5.606834 2.136328 3.392328 1.084065 3.865570 2.149640 3.386549 5.815462 6.923310 7.341062 8.146693 6.886921 10.434909 4.701962 3.742131 3.345384 2.403820 3.433420 6.040460 6.149850 6.096047 5.980773 0.000000 5.746899 5.319930 2.247550 2.700321 6.255936 6.447065 5.383629 5.097883 4.674416 5.917420 6.335193 5.198376 3.412444 2.147518 3.859902 1.078434 3.397399 2.151393 2.756825 4.213718 5.337884 5.019007 5.770279 7.523989 6.056879 4.648142 5.048925 5.998425 6.853723 6.736426 7.181124 5.450505 4.820678 4.943948 0.000000 7.569832 7.707717 6.251272 5.294836 9.833878 9.687889 5.713091 5.774472 4.669490 5.123694 7.140627 6.843145 3.411750 3.883954 2.152570 3.402678 1.083919 2.155839 6.258488 7.646771 8.400978 8.729292 8.228558 11.209590 6.717096 4.947919 5.281913 4.617929 5.877281 7.338314 7.895121 7.442620 6.839118 2.478168 4.296341 0.000000 2.136200 2.775279 3.152078 1.009332 4.522769 4.061074 2.630837 3.040148 2.337860 3.653193 4.198233 3.108915 2.507850 2.047953 3.894847 3.325513 4.698189 4.462839 2.030336 2.513628 2.774367 3.840555 2.660354 5.956956 2.781807 3.449764 2.343350 4.337230 4.328046 5.087502 4.591452 2.794344 3.526602 4.574419 3.686766 5.761290 0.000000 7.483761 7.196693 4.659873 4.600786 8.670174 8.780359 6.322677 6.092833 5.386030 6.307887 7.418215 6.668166 3.888226 3.394756 3.389378 2.140365 2.152606 1.084227 5.083230 6.566164 7.589006 7.435878 7.771139 9.954977 7.231539 5.311673 5.912981 6.036384 7.219798 7.629047 8.312106 7.174533 6.351126 4.288806 2.468036 2.489933 5.418485 0.000000 5.289333 5.237970 2.745125 4.175422 2.139967 3.255863 6.396096 5.806863 6.701490 7.761717 6.077598 4.614975 6.458092 5.295280 7.628475 5.590639 7.842630 6.921555 2.872492 2.229083 3.265958 1.077511 4.719342 2.848178 6.359848 6.113218 6.860245 8.219823 8.538091 6.566014 6.608511 4.195454 4.093873 8.535127 4.989109 8.871398 4.525173 7.375309 0.000000 2.013497 2.011143 5.631964 4.418517 3.813251 2.502866 5.183644 5.902501 5.230140 6.191719 6.423424 5.481080 5.974333 5.639532 7.309097 6.761677 8.207485 7.959635 4.503512 3.514771 2.147418 4.300761 1.090053 4.877226 4.470321 6.716827 4.561764 7.187519 6.299148 7.465991 6.246756 4.507358 6.066880 7.780132 6.845260 9.236224 3.707455 8.842754 5.376403 0.000000 5.749494 6.127163 6.012840 6.491518 2.093942 2.743572 7.620990 7.294636 8.306829 9.095817 7.037255 5.939350 8.664593 7.847241 10.010864 8.573743 10.593219 9.933159 5.565992 4.188651 3.903669 3.201418 5.075092 1.090816 7.079829 8.023945 8.230383 9.783855 9.566306 7.652537 7.044740 5.087159 5.880247 10.711873 8.196841 11.663558 6.286124 10.575710 3.566539 5.027040 0.000000 6.387493 6.381175 5.222017 6.308080 2.077764 3.306318 8.064090 7.576036 8.574085 9.523241 7.497009 6.209105 8.623185 7.581681 9.892249 8.033201 10.247246 9.389937 5.124944 3.960151 4.196240 2.637561 5.600676 1.088994 7.735567 8.105440 8.580688 10.109210 10.144305 8.009228 7.751678 5.537459 5.866938 10.722720 7.460678 11.297876 6.382588 9.877257 2.521122 5.805927 1.781513 0.000000 6.057429 5.777999 5.937691 6.615126 2.090407 2.704419 8.344769 8.167453 8.739822 9.749777 8.196651 6.930489 8.951713 7.986674 10.286796 8.575446 10.754459 9.966565 5.584102 4.203103 3.887419 3.225906 5.032220 1.090400 7.853587 8.817702 8.524838 10.484734 10.224537 8.881502 8.288749 6.064171 6.827411 11.068416 8.067991 11.830640 6.523778 10.526498 3.605534 4.947166 1.780530 1.781244 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9441,1.4998,1.7396;-1.4123,-.3401,2.8516;-.587,-2.3859,-1.17;.3835,-.817,.2002;-4.1425,-.3642,-.5461;-3.8535,.2918,.5905;1.6328,2.1941,.0082;1.4836,1.8851,-1.448;2.2394,1.1726,.9673;2.9962,2.4295,.6061;.8951,2.9166,-2.3806;.1077,1.6738,-2.0331;2.693,-.1732,.4911;1.7512,-1.1541,.105;4.0493,-.4943,.4344;2.1857,-2.4119,-.3314;4.4864,-1.7439,.0007;3.5473,-2.6971,-.3822;-.6755,-1.4161,-.4279;-2.0091,-.7985,-.1828;-2.566,.0399,.8215;-3.0751,-1.0331,-1.0351;-1.978,.6237,2.0565;-5.4861,-.2913,-1.0994;.818,2.7811,.4215;2.2718,1.2626,-1.8592;1.7944,1.1687,1.96;3.8452,2.3253,-.0604;3.1122,3.1953,1.3638;1.3083,3.0036,-3.3787;.5709,3.8566,-1.9476;-.7415,1.7848,-1.3677;-.0159,.9064,-2.7881;4.7714,.2554,.7373;1.4592,-3.1479,-.6374;5.5463,-1.9679,-.0359;.2017,.0767,.6326;3.8689,-3.6745,-.7239;-3.1135,-1.6295,-1.9317;-2.7167,1.1756,2.6378;-5.7201,.7392,-1.3698;-5.5327,-.9218,-1.9861;-6.2056,-.6448,-.3603; 0.3678550 0.1712969 0.1568448 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= 1107 RedAO= T EigKep= 1.15D-06 NBF= 1107 NBsUse= 1102 1.00D-06 EigRej= 9.24D-07 NBFU= 1102 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= 1231 1231 1231 1231 1231 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.82746219575 -1136.89878523131 -0.071323035559 -1136.89877535969 0.000009871617 -1136.89914794386 -0.000372584174 -1136.89920026784 -0.000052323975 -1136.89920905725 -0.000008789409 -1136.89921006385 -0.000001006604 -1136.89921010571 -0.000000041857 -1136.89921010860 -0.000000002892 -1136.89921010931 -0.000000000712 -1136.89921010913 0.000000000182 -1136.89921011 11 1.131897366518e+03 -6.930313823747e+03 2.524344164003e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243561362 LenY= 4241995110 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. PT42622.300S 2021-12-24T17:34:38.000 -24.70553 -24.70124 -19.09346 -14.42530 -14.36207 -14.35038 -10.35399 -10.28626 -10.23790 -10.23297 -10.22999 -10.21687 -10.20101 -10.18315 -10.18218 -10.18184 -10.17734 -10.17198 -10.16923 -10.16835 -10.16810 -10.16734 -10.16589 -10.16378 -1.26685 -1.21008 -1.08638 -1.04487 -0.94508 -0.88333 -0.87979 -0.85173 -0.83615 -0.82113 -0.76901 -0.75147 -0.74577 -0.70904 -0.66075 -0.64317 -0.63762 -0.62151 -0.60974 -0.60053 -0.58348 -0.58206 -0.57028 -0.56222 -0.55781 -0.55398 -0.53021 -0.51326 -0.50946 -0.50477 -0.49632 -0.48784 -0.46795 -0.45987 -0.45266 -0.44990 -0.44923 -0.44120 -0.43560 -0.42959 -0.42612 -0.42220 -0.41981 -0.41662 -0.41523 -0.38652 -0.37937 -0.36956 -0.36712 -0.36048 -0.35422 -0.34307 -0.33745 -0.33507 -0.31407 -0.30948 -0.29140 -0.28476 -0.27822 -0.26877 -0.26349 -0.24294 -0.22138 -0.04400 -0.02835 -0.01215 -0.01060 0.00103 0.00556 0.00905 0.01560 0.01765 0.02139 0.02516 0.03063 0.03331 0.03522 0.04143 0.04623 0.04926 0.05100 0.05636 0.05969 0.06229 0.06739 0.06981 0.07647 0.07801 0.07822 0.08026 0.08434 0.09243 0.09535 0.09999 0.10425 0.10553 0.10710 0.11271 0.11577 0.12071 0.12320 0.12538 0.12916 0.13141 0.13522 0.13733 0.14116 0.14252 0.14548 0.15101 0.15351 0.15403 0.15440 0.15768 0.16022 0.16143 0.16478 0.16865 0.17026 0.17199 0.17549 0.17927 0.18006 0.18260 0.18511 0.18944 0.19063 0.19311 0.19505 0.19694 0.19789 0.20282 0.20324 0.20592 0.20806 0.20946 0.21363 0.21506 0.22036 0.22141 0.22315 0.22406 0.22750 0.23191 0.23460 0.23787 0.23967 0.24174 0.24464 0.24701 0.24976 0.25500 0.25544 0.26233 0.26257 0.26619 0.26896 0.27141 0.27477 0.27770 0.28130 0.28248 0.28604 0.28836 0.29082 0.29462 0.29689 0.30138 0.30207 0.30414 0.30961 0.31363 0.31682 0.32056 0.32303 0.32817 0.33198 0.33514 0.33656 0.33946 0.34055 0.34582 0.34760 0.35062 0.35705 0.35838 0.36269 0.36552 0.36701 0.36988 0.37512 0.37832 0.38301 0.38610 0.38707 0.39360 0.39485 0.39935 0.40432 0.41048 0.41465 0.41975 0.42097 0.42359 0.42620 0.43673 0.43803 0.44235 0.44521 0.44838 0.44927 0.45937 0.46131 0.46476 0.47105 0.47336 0.47655 0.47874 0.48240 0.48480 0.48935 0.49381 0.49718 0.50527 0.50676 0.51096 0.51454 0.52021 0.52071 0.52362 0.52964 0.53322 0.53633 0.53826 0.54642 0.55085 0.55166 0.55579 0.55896 0.55920 0.56338 0.56799 0.57008 0.57176 0.57494 0.57698 0.57983 0.58500 0.58855 0.58891 0.59339 0.59558 0.60676 0.60692 0.61214 0.61393 0.61647 0.61825 0.62352 0.62686 0.62705 0.63342 0.63675 0.63874 0.64048 0.64499 0.64698 0.65181 0.65451 0.65777 0.66491 0.66983 0.67409 0.67798 0.68191 0.68345 0.68518 0.68722 0.69397 0.69506 0.70074 0.70214 0.70620 0.70968 0.71314 0.71458 0.71616 0.72331 0.72980 0.73196 0.73613 0.74031 0.74175 0.74995 0.75601 0.75949 0.76146 0.76326 0.76750 0.77273 0.77974 0.78909 0.79630 0.79880 0.80805 0.80926 0.81628 0.82136 0.82415 0.83170 0.83755 0.84258 0.84364 0.85174 0.85502 0.85929 0.86296 0.86742 0.87381 0.88386 0.89033 0.89263 0.90463 0.90900 0.91077 0.91863 0.92355 0.92466 0.93029 0.93783 0.94545 0.94886 0.94921 0.96342 0.96758 0.97280 0.98364 0.98643 0.99080 0.99702 1.00708 1.01017 1.01415 1.01831 1.01949 1.02513 1.03043 1.03793 1.04366 1.05115 1.05388 1.05694 1.07132 1.07633 1.07998 1.08943 1.09069 1.09657 1.09846 1.10149 1.11337 1.11769 1.12162 1.12301 1.13027 1.13590 1.13943 1.14172 1.14613 1.14977 1.15768 1.16336 1.16412 1.17212 1.17894 1.18246 1.18825 1.19488 1.19886 1.20212 1.20800 1.21154 1.21367 1.21549 1.22178 1.22948 1.23194 1.23324 1.23732 1.24387 1.24510 1.24797 1.25385 1.25708 1.26183 1.26498 1.26652 1.27347 1.27670 1.28145 1.28846 1.29131 1.29422 1.29999 1.30127 1.30644 1.31490 1.31863 1.32567 1.32831 1.33059 1.33857 1.34148 1.34488 1.34752 1.34984 1.35560 1.36249 1.36506 1.36642 1.37250 1.37416 1.38170 1.38774 1.38908 1.39157 1.40016 1.40121 1.40776 1.41071 1.41589 1.41940 1.42193 1.42900 1.43465 1.44132 1.44602 1.45049 1.45526 1.45665 1.46012 1.46555 1.47155 1.47514 1.47793 1.48564 1.48829 1.49152 1.49513 1.50045 1.50520 1.51426 1.51721 1.52286 1.53169 1.53588 1.54060 1.54957 1.55144 1.55751 1.56616 1.57195 1.57558 1.58052 1.59035 1.59188 1.59476 1.60007 1.60678 1.61030 1.61542 1.62240 1.62909 1.63809 1.64207 1.65342 1.66128 1.66326 1.67487 1.68059 1.68442 1.68966 1.69205 1.69809 1.71233 1.73029 1.73471 1.74367 1.74854 1.75588 1.76299 1.77074 1.77484 1.78550 1.79568 1.79817 1.80990 1.81789 1.82079 1.82186 1.83011 1.84338 1.85232 1.85464 1.86986 1.87616 1.88394 1.89231 1.90350 1.90436 1.91874 1.92335 1.93492 1.93730 1.94957 1.95209 1.96479 1.97417 1.97650 1.98429 1.99474 1.99862 2.01374 2.01751 2.02661 2.02993 2.04058 2.06110 2.06482 2.07499 2.07785 2.08401 2.08769 2.09822 2.10021 2.11378 2.12199 2.12331 2.13713 2.14622 2.15417 2.16579 2.18047 2.19525 2.19749 2.20569 2.22125 2.22964 2.23303 2.24013 2.24637 2.25147 2.25847 2.27119 2.27861 2.29139 2.29911 2.30326 2.31787 2.32023 2.32786 2.33144 2.35388 2.35794 2.36918 2.37353 2.37719 2.39827 2.40583 2.42359 2.42836 2.43985 2.45175 2.45508 2.47732 2.48110 2.49139 2.50284 2.52277 2.53176 2.53527 2.53642 2.55925 2.56367 2.57985 2.59036 2.59729 2.61619 2.64127 2.66015 2.67547 2.68571 2.70033 2.70974 2.71599 2.72359 2.72503 2.73602 2.75605 2.77143 2.77318 2.77777 2.79957 2.80943 2.81260 2.81554 2.82687 2.83140 2.83397 2.84401 2.85955 2.86251 2.88145 2.88570 2.88774 2.89309 2.90683 2.90864 2.91367 2.92238 2.92724 2.93107 2.93914 2.94220 2.94791 2.96142 2.96318 2.97640 2.97713 2.98463 2.99193 3.00166 3.00824 3.01158 3.02012 3.02403 3.03273 3.03780 3.03981 3.06374 3.06466 3.07049 3.07971 3.08639 3.09371 3.10263 3.10538 3.11780 3.12487 3.13211 3.13978 3.15162 3.15726 3.16202 3.17913 3.18357 3.19085 3.19626 3.19833 3.20227 3.21180 3.22165 3.22598 3.23296 3.24775 3.25222 3.25743 3.26662 3.26973 3.27702 3.27984 3.28617 3.29275 3.29691 3.30600 3.31370 3.32574 3.33504 3.34564 3.34857 3.35325 3.36871 3.37509 3.38218 3.38378 3.39884 3.41008 3.41602 3.42143 3.42718 3.43106 3.43934 3.44011 3.45073 3.46033 3.46892 3.47335 3.48281 3.49397 3.50734 3.51000 3.52082 3.52511 3.52972 3.54234 3.54880 3.55372 3.56447 3.57156 3.58230 3.58577 3.59845 3.60084 3.60981 3.62138 3.62306 3.63311 3.64212 3.66094 3.66528 3.67338 3.67981 3.69144 3.70483 3.71192 3.72097 3.72675 3.72966 3.73914 3.76340 3.76950 3.77928 3.79184 3.79718 3.80709 3.81943 3.81984 3.82320 3.82930 3.84350 3.86184 3.87726 3.88694 3.90529 3.91264 3.92966 3.94127 3.95242 3.95463 3.96948 3.97020 3.98389 3.99372 4.00322 4.01125 4.02120 4.03044 4.04177 4.05372 4.06619 4.07778 4.08252 4.09313 4.10676 4.11449 4.12572 4.13691 4.15371 4.16454 4.17149 4.17792 4.19185 4.19495 4.21324 4.22137 4.22624 4.22903 4.24201 4.24870 4.26190 4.26587 4.27594 4.28544 4.29245 4.30243 4.31065 4.32595 4.32868 4.34162 4.34859 4.35777 4.36589 4.37451 4.38584 4.39228 4.40341 4.41392 4.41604 4.42199 4.42573 4.44066 4.44983 4.46003 4.46424 4.47008 4.47835 4.48602 4.49406 4.49561 4.50690 4.51704 4.52699 4.52986 4.53477 4.54838 4.55636 4.57068 4.57591 4.58104 4.59655 4.61155 4.61465 4.62027 4.65476 4.66358 4.67533 4.67784 4.69158 4.71242 4.71341 4.72177 4.73325 4.73938 4.75219 4.75796 4.76781 4.77489 4.79045 4.80585 4.81323 4.82675 4.84001 4.84800 4.85813 4.87077 4.87178 4.88762 4.90239 4.92412 4.93019 4.94091 4.95301 4.96536 4.97590 4.97669 4.99781 5.00705 5.06741 5.07730 5.09082 5.10994 5.14969 5.16723 5.18615 5.18862 5.20275 5.22696 5.24147 5.26276 5.26450 5.28904 5.33852 5.35099 5.38660 5.39762 5.41668 5.42789 5.44523 5.45964 5.48331 5.55509 5.59841 5.62958 5.65335 5.66740 5.68392 5.72097 5.73018 5.73958 5.74526 5.75814 5.76811 5.78477 5.80529 5.80899 5.82133 5.83305 5.87206 5.89608 5.94991 5.99109 5.99969 6.05723 6.12767 6.19314 6.20742 6.28055 6.33719 6.40716 6.46149 6.52412 6.53044 6.57626 6.60892 6.62043 6.62602 6.63344 6.63959 6.64640 6.68845 6.71517 6.73744 6.75516 6.78545 6.84793 6.87761 6.90084 6.91343 6.94407 7.03459 7.10664 7.11010 7.14942 7.17128 7.18883 7.19358 7.20394 7.20587 7.21994 7.23743 7.27674 7.29676 7.30925 7.31055 7.32273 7.33492 7.34113 7.34366 7.36037 7.37458 7.38075 7.38845 7.40435 7.41785 7.42977 7.43290 7.46034 7.46895 7.47044 7.47457 7.48721 7.49368 7.55998 7.56119 7.57238 7.57981 7.59036 7.59988 7.61868 7.64223 7.65379 7.66317 7.68211 7.68518 7.70051 7.71132 7.73014 7.74183 7.75051 7.77430 7.81061 7.81926 7.87225 7.88344 7.89343 7.90806 7.92939 7.93445 7.93916 7.95322 7.96675 7.98374 7.99862 8.00731 8.01495 8.04452 8.05146 8.06965 8.08557 8.09808 8.13614 8.16538 8.20608 8.22469 8.29246 8.29975 8.34792 8.35327 8.35905 8.40671 8.45001 8.46589 8.49887 8.51029 8.53542 8.54721 8.64526 8.71195 8.84946 8.93001 8.94393 8.99979 9.08010 9.39828 10.15712 10.44563 10.47475 10.50310 10.56921 10.66874 10.76750 10.79342 10.87475 10.95582 11.01991 11.26839 11.42353 11.45089 12.18440 14.44387 14.52445 14.70420 14.88060 15.13644 19.32658 19.34541 19.37863 19.39720 19.41839 19.43313 19.46062 19.47593 19.69486 19.79732 24.14526 24.35571 24.36522 24.38760 24.45589 24.61872 24.66309 24.66933 24.69347 24.81403 24.97054 25.01474 25.16197 25.23830 25.37019 25.42388 25.47399 25.79643 36.12596 36.18622 36.23604 50.49244 67.01836 67.02784 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.430445 -0.406932 -0.764761 -0.664550 -0.464794 -0.636017 0.068065 0.005539 -0.394111 -0.437368 -0.312262 -0.490981 0.722147 0.216652 -0.238326 -0.035549 -0.354858 -0.211292 0.691725 0.072199 -0.019931 0.094229 0.974833 -0.057601 0.120823 0.126132 0.150169 0.154195 0.146652 0.146222 0.140000 0.190723 0.153310 0.134685 0.164918 0.131558 0.355197 0.129644 0.205541 0.171505 0.149081 0.153384 0.150648 -0.00000 -3.5973 2.1124 -1.1572 4.3292 -113.0219 -145.7022 -141.6561 2.9593 8.0169 2.3805 20.4382 -12.2421 -8.1960 2.9593 8.0169 2.3805 -151.4619 11.6827 18.9520 -3.2797 -24.3930 -41.7359 -34.4203 14.2173 17.4381 -2.5813 -5623.3907 -2370.6078 -1446.0425 92.4313 233.1320 -51.4646 40.9895 -31.0551 52.9504 -1444.9986 -1290.8405 -653.1298 69.5609 -22.2306 25.4306 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS14 APULGAR 2021-12-24T00:00:00.000 0 Single Point sedaxane_cis/ CONF1 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.8992101 RMSD=5.828e-09 Dipole=1.4332892,0.8068073,0.4424097 Quadrupole=15.1945891,-9.0256109,-6.1689782,-2.6320256,5.7785333,-1.848941 PG=C01 [X(C18H19F2N3O1)] 0 0.9504791568 1.5184795903 -1.7106321658 0 1.3773333357 -0.332772012 -2.8204474125 0 0.5450911975 -2.3516858949 1.213258466 0 -0.4070843649 -0.7696595454 -0.1546307737 0 4.1316378101 -0.3960788493 0.557263854 0 3.8461067052 0.2617410765 -0.579252647 0 -1.6006703969 2.2639721806 0.0374286312 0 -1.4463594109 1.9565505608 1.4933973869 0 -2.2326440103 1.2507975082 -0.9140813011 0 -2.9639915887 2.5221626833 -0.55118972 0 -0.8325945142 2.9799878138 2.4185543601 0 -0.0701944698 1.7222427971 2.0690436707 0 -2.7067890474 -0.0851885328 -0.4305548317 0 -1.7799196647 -1.0817390924 -0.0484147141 0 -4.0681896252 -0.381726793 -0.3629554401 0 -2.2337279641 -2.3303410378 0.3950045313 0 -4.5244575328 -1.6219910652 0.077681167 0 -3.5998276253 -2.5907978664 0.4565714475 0 0.6454997615 -1.3857874091 0.4675489512 0 1.9881612876 -0.793045364 0.2108790809 0 2.5526602958 0.0323207252 -0.7999999908 0 3.0560142126 -1.044309 1.0560122227 0 1.9660894157 0.6229909193 -2.0324978825 0 5.4803265705 -0.3458021368 1.1004623476 0 -0.778524547 2.8350908898 -0.3835978886 0 -2.2426023693 1.3495077333 1.9122059381 0 -1.7950558451 1.23602488 -1.9100502818 0 -3.8098025069 2.4351195164 0.1217702621 0 -3.0718507596 3.2877513577 -1.3103205981 0 -1.2367992515 3.077389827 3.4194134284 0 -0.4947797058 3.9127810773 1.9803425397 0 0.7759342207 1.816051224 1.3971360172 0 0.0451048021 0.9549815384 2.8254545613 0 -4.7788822576 0.3799721645 -0.6628342292 0 -1.5183477967 -3.0783612323 0.6978514952 0 -5.5879041263 -1.8267607617 0.1227426023 0 -0.2124550389 0.1193979365 -0.591032538 0 -3.9363619795 -3.5612988114 0.8035890863 0 3.0903659085 -1.6386570359 1.9541217392 0 2.7103576383 1.159835182 -2.6207817815 0 5.734783337 0.6811329928 1.3660491538 0 5.5221671284 -0.9744251966 1.9887138088 0 6.1879781938 -0.7142603077 0.3571992704