Gaussian 16 GINC-GASCONES ALCAMI Optimization oxaziclomefone CONF11 gas EM64L-G16RevC.01 11-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 98 98 680 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C20H19Cl2NO2)] C1[X(C20H19Cl2NO2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 357.1254999999997 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1735,2.5476,1.5832;3.6537,-.5501,-2.5257;-.9332,1.1457,-1.3079;-1.9412,-1.4134,1.605;-.4784,.1264,.7422;.6378,-.0782,1.6815;1.9174,.3399,.9532;.8421,-1.5563,2.0513;.3837,.7236,2.9592;-.5828,1.3711,.0362;-1.6613,-.5843,.7678;-2.5372,-.3061,-.3983;-2.0595,.4242,-1.4312;2.1743,-.1956,-.3081;2.8523,1.1877,1.5293;-3.8533,-.9719,-.4665;4.0252,1.4873,.8495;3.3485,.119,-.9641;-2.6429,.5209,-2.7976;4.2937,.9642,-.4006;-3.9833,-2.3557,-.3571;-5.0034,-.2106,-.6642;-5.2272,-2.9562,-.4622;-6.2489,-.8109,-.7727;-6.364,-2.1881,-.6721;.0711,-1.9255,2.7189;.8654,-2.1941,1.1683;1.8077,-1.6508,2.5491;-.5612,.4031,3.3955;.3242,1.7976,2.7717;1.1604,.5535,3.7054;-1.3509,2.0208,.4807;.3676,1.8976,.0366;1.4537,-.8487,-.7814;2.6864,1.624,2.5034;-1.8552,.3841,-3.5403;-3.077,1.5073,-2.9715;-3.4126,-.2272,-2.9611;5.2076,1.2061,-.9233;-3.1069,-2.9674,-.1976;-4.9193,.8677,-.7251;-5.3097,-4.0321,-.3801;-7.129,-.2004,-.9272;-7.3336,-2.6616,-.753; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6484805/Gau-107027.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6484805/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization oxaziclomefone CONF11 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 3 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 18 19 19 19 20 21 21 22 22 23 23 24 24 25 17 18 10 13 11 6 10 11 7 8 9 14 15 26 27 28 29 30 31 32 33 12 13 16 19 18 34 17 35 21 22 20 20 36 37 38 39 23 40 24 41 25 42 25 43 44 1.7266 1.7261 1.4072 1.3432 1.2111 1.4731 1.4348 1.3802 1.5306 1.5373 1.5297 1.3942 1.3873 1.0846 1.0895 1.0904 1.089 1.0919 1.0904 1.0999 1.0866 1.4847 1.3521 1.4765 1.4889 1.3813 1.0815 1.3884 1.0802 1.3942 1.3934 1.3815 1.3875 1.0913 1.0916 1.0857 1.0803 1.3852 1.0806 1.3869 1.0833 1.3879 1.0822 1.3857 1.0821 1.0821 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 6 6 10 5 5 5 7 7 8 6 6 14 6 6 6 26 26 27 6 6 6 29 29 30 3 3 3 5 5 32 4 4 5 11 11 13 3 3 12 7 7 18 7 7 17 12 12 21 1 1 15 2 2 14 13 13 13 36 36 37 17 17 18 16 16 23 16 16 24 21 21 25 22 22 25 23 23 24 3 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 13 10 11 11 7 8 9 8 9 9 14 15 15 26 27 28 27 28 28 29 30 31 30 31 31 5 32 33 32 33 33 5 12 12 13 16 16 12 19 19 18 34 34 17 35 35 21 22 22 15 20 20 14 20 20 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 25 42 42 25 43 43 24 44 44 112.4859 119.2992 124.4795 113.1668 106.9844 112.803 109.5074 105.4283 113.1523 108.9741 118.6618 122.1883 119.0944 112.3839 111.7631 108.1024 108.3484 108.6036 107.4809 108.9361 112.4071 111.8093 108.1173 107.3359 108.0474 110.4367 107.8669 107.2042 111.3714 110.8876 108.932 124.2882 122.3372 113.2409 119.5186 118.5311 121.5464 121.0827 112.2023 126.7012 119.9202 120.3367 119.7398 119.8603 121.19 118.9497 121.8093 119.7298 118.4546 119.1013 119.1971 121.7008 119.45 118.8889 121.661 109.4826 111.1448 111.7951 106.9712 108.834 108.4681 117.7629 121.16 121.077 120.5376 119.8531 119.6072 121.0559 119.1959 119.7461 120.4647 119.5849 119.9503 119.939 119.8249 120.2341 119.5405 120.205 120.2541 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 13 13 13 10 10 10 10 10 11 11 11 6 6 6 11 11 11 6 6 10 10 5 5 8 8 9 9 5 5 5 7 7 7 9 9 9 5 5 5 7 7 7 8 8 8 6 6 15 15 6 6 14 14 4 4 5 5 11 11 16 16 11 11 13 13 3 3 3 12 12 12 7 7 34 34 7 7 35 35 12 12 22 22 12 12 21 21 1 1 15 15 2 2 14 14 16 16 40 40 16 16 41 41 21 21 42 42 22 22 43 43 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 10 10 10 13 13 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 12 12 12 12 13 13 13 13 16 16 16 16 19 19 19 19 19 19 18 18 18 18 17 17 17 17 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 5 32 33 12 19 7 8 9 7 8 9 3 32 33 3 32 33 4 12 4 12 14 15 14 15 14 15 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 18 34 18 34 17 35 17 35 13 16 13 16 3 19 3 19 21 22 21 22 36 37 38 36 37 38 2 20 2 20 1 20 1 20 23 40 23 40 24 41 24 41 18 39 18 39 17 39 17 39 25 42 25 42 25 43 25 43 24 44 24 44 23 44 23 44 55.2613 -66.6572 176.1708 -18.0014 163.2618 -48.4437 -163.9214 74.5363 152.7075 37.2298 -84.3125 137.7176 -102.4537 19.0291 -61.159 58.6696 -179.8476 3.6658 -172.2046 -156.3189 27.8107 -51.3635 131.3726 68.9467 -108.3173 -172.0505 10.6855 -73.1893 48.8832 166.9687 170.4033 -67.5242 50.5613 48.6544 170.7269 -71.1875 58.2223 -61.5834 176.6856 177.4666 57.6608 -64.0702 -65.5982 174.596 52.865 -177.2262 3.4309 0.1239 -179.219 177.0831 -2.943 -0.1694 179.8044 -166.8316 5.9882 9.1303 -178.0499 -14.8298 163.7115 172.5736 -8.8852 -53.4792 127.4472 119.1883 -59.8853 46.4373 -71.519 167.1186 -132.2134 109.8303 -11.5321 -179.9584 -0.0691 -0.6116 179.2777 179.8571 0.1633 -0.1174 -179.8112 -178.1863 1.2806 0.8987 -179.6345 178.0489 -2.4742 -1.0556 178.4213 -179.798 0.0818 -0.1045 179.7754 179.9473 0.0674 0.0575 -179.8225 -0.2867 179.6747 -179.7549 0.2065 0.5941 -179.9255 -178.88 0.6004 -0.1939 -179.9635 179.8449 0.0752 0.0426 179.8121 -179.4357 0.3339 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 705 A 680 A 1086 705 2446.7326898815 44 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= 680 RedAO= T EigKep= 1.04D-06 NBF= 680 NBsUse= 677 1.00D-06 EigRej= 3.88D-07 NBFU= 677 Berny optimization. local minimum Step number 13 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00294 0.00320 0.00322 0.00461 0.00850 0.00958 0.01117 0.01510 0.01663 0.01734 0.01854 0.02023 0.02141 0.02192 0.02213 0.02228 0.02245 0.02249 0.02254 0.02263 0.02267 0.02270 0.02270 0.02271 0.02282 0.02283 0.02298 0.02311 0.02318 0.02532 0.04815 0.05421 0.05436 0.05726 0.05751 0.05825 0.06679 0.06837 0.07248 0.07259 0.07692 0.08042 0.11734 0.11994 0.14879 0.15527 0.15825 0.15874 0.15983 0.15998 0.15999 0.16000 0.16000 0.16000 0.16003 0.16005 0.16015 0.16041 0.16055 0.16071 0.16213 0.16648 0.17726 0.19592 0.19805 0.21962 0.22003 0.22480 0.23249 0.23512 0.23707 0.24115 0.24489 0.24896 0.24998 0.25004 0.25011 0.26698 0.27955 0.28529 0.28975 0.29860 0.31599 0.32840 0.32918 0.33670 0.33736 0.34298 0.34611 0.34638 0.34697 0.34799 0.34869 0.34945 0.35123 0.35256 0.35365 0.35553 0.35644 0.35734 0.35741 0.35777 0.35870 0.35935 0.35958 0.36114 0.36989 0.37829 0.39595 0.41234 0.43052 0.43199 0.43506 0.44262 0.46941 0.47287 0.47572 0.47854 0.47969 0.48117 0.48402 0.50499 0.52092 0.54118 0.54582 0.99804 -2.05989957e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 D104 D105 D106 D107 D108 D109 D110 D111 3.32190 3.32011 2.69469 2.57177 2.30853 2.82573 2.73555 2.63373 2.90884 2.92437 2.90673 2.64790 2.63474 2.05194 2.06238 2.06449 2.06087 2.06637 2.06418 2.07882 2.05016 2.82203 2.56906 2.80574 2.82214 2.62011 2.04366 2.63456 2.04084 2.64912 2.64803 2.62217 2.63306 2.06721 2.06782 2.05522 2.04225 2.63026 2.04416 2.63314 2.04966 2.63643 2.04919 2.63298 2.04920 2.04891 1.96241 2.08636 2.14483 1.97167 1.87570 1.94648 1.89992 1.85067 1.98189 1.90950 2.07233 2.13195 2.07800 1.94279 1.93437 1.88962 1.89404 1.91394 1.88833 1.89011 1.94914 1.94559 1.89686 1.88582 1.89475 1.92052 1.87214 1.86471 1.94637 1.93543 1.92185 2.15728 2.13968 1.98408 2.08443 2.06801 2.12407 2.11441 1.94038 2.22770 2.09254 2.09782 2.09251 2.08876 2.12020 2.07422 2.12133 2.09411 2.06775 2.07725 2.07545 2.13047 2.08281 2.07280 2.12758 1.89347 1.93011 1.95007 1.86974 1.91444 1.90425 2.04900 2.11795 2.11624 2.10403 2.08303 2.09608 2.11177 2.07993 2.09144 2.10207 2.08706 2.09406 2.09406 2.09102 2.09806 2.08656 2.09827 2.09833 0.96645 -1.15380 3.06893 -0.31844 2.86000 -0.79188 -2.81320 1.36151 2.79936 0.77804 -1.33044 2.47990 -1.72795 0.42062 -1.06929 1.00604 -3.12857 0.00167 -3.07118 -2.71669 0.49365 -0.90399 2.28372 1.17968 -1.91580 -3.00630 0.18141 -1.24704 0.86274 2.93121 2.99955 -1.17386 0.89462 0.85583 2.96561 -1.24910 0.99783 -1.09018 3.07012 3.08641 0.99840 -1.12448 -1.13322 3.06196 0.93908 -3.09885 0.06946 -0.00192 -3.11680 3.09268 -0.05021 -0.00266 3.13764 -2.92041 0.09945 0.15322 -3.11010 -0.25306 2.84514 3.01430 -0.17068 -0.86604 2.27909 2.15093 -0.98713 0.80915 -1.23661 2.92177 -2.29262 1.94481 -0.18000 -3.13389 0.00506 -0.01893 3.12002 3.14027 0.00437 -0.00005 -3.13596 -3.12151 0.03082 0.01660 -3.11426 3.11949 -0.03156 -0.01868 3.11346 -3.13725 0.00098 -0.00134 3.13689 3.13557 -0.00267 -0.00340 3.14155 -0.00524 3.13820 3.12554 -0.01421 0.00929 3.14100 -3.12278 0.00893 -0.00449 -3.13893 3.13526 0.00081 0.00249 3.13693 -3.12918 0.00526 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 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 -0.00003 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 0.00001 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 -0.00001 -0.00001 -0.00000 -0.00000 -0.00009 -0.00009 -0.00009 -0.00004 -0.00004 -0.00003 0.00004 0.00005 0.00004 -0.00000 0.00000 -0.00000 -0.00004 -0.00005 0.00001 0.00001 0.00005 0.00007 0.00006 0.00007 0.00005 0.00006 -0.00002 -0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00003 -0.00003 -0.00001 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 0.00002 0.00001 0.00000 -0.00001 -0.00002 -0.00002 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 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 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00003 -0.00001 0.00002 -0.00003 0.00002 0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00002 -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 -0.00000 -0.00001 0.00002 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 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00003 -0.00002 0.00004 -0.00000 -0.00002 0.00004 0.00000 0.00001 0.00003 0.00001 0.00001 0.00002 0.00001 -0.00004 -0.00004 -0.00003 -0.00003 -0.00000 0.00002 -0.00005 -0.00002 -0.00002 0.00000 0.00003 0.00004 0.00003 0.00009 0.00009 0.00009 0.00007 0.00007 0.00007 -0.00005 -0.00005 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00007 -0.00007 0.00003 0.00002 0.00001 -0.00001 -0.00004 -0.00004 -0.00001 -0.00001 0.00003 0.00003 0.00003 0.00002 -0.00001 -0.00006 -0.00000 -0.00005 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00004 0.00003 0.00003 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00000 -0.00002 -0.00000 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00004 0.00001 0.00001 -0.00002 -0.00000 0.00002 -0.00004 0.00003 0.00002 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00002 0.00002 0.00000 -0.00003 -0.00002 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00002 0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00003 -0.00011 -0.00005 -0.00009 -0.00006 0.00000 -0.00003 0.00006 0.00007 0.00005 0.00001 0.00003 0.00001 -0.00008 -0.00009 -0.00002 -0.00002 0.00005 0.00009 0.00001 0.00005 0.00002 0.00007 0.00001 0.00002 0.00001 0.00006 0.00007 0.00006 0.00005 0.00005 0.00004 -0.00006 -0.00008 -0.00008 -0.00006 -0.00008 -0.00008 -0.00008 -0.00010 -0.00010 0.00005 0.00003 0.00001 -0.00001 -0.00005 -0.00006 -0.00001 -0.00002 0.00001 0.00001 0.00002 0.00001 0.00000 -0.00004 0.00001 -0.00004 -0.00001 -0.00001 -0.00001 -0.00002 0.00002 0.00001 0.00000 0.00006 0.00005 0.00005 -0.00001 -0.00000 0.00002 0.00002 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 3.32190 3.32012 2.69468 2.57179 2.30853 2.82571 2.73555 2.63370 2.90882 2.92437 2.90673 2.64789 2.63475 2.05195 2.06238 2.06449 2.06087 2.06637 2.06419 2.07882 2.05016 2.82205 2.56906 2.80573 2.82213 2.62012 2.04366 2.63454 2.04084 2.64912 2.64803 2.62218 2.63305 2.06721 2.06782 2.05522 2.04225 2.63026 2.04416 2.63315 2.04966 2.63643 2.04919 2.63298 2.04920 2.04891 1.96241 2.08631 2.14484 1.97168 1.87568 1.94648 1.89994 1.85063 1.98192 1.90952 2.07234 2.13195 2.07800 1.94280 1.93436 1.88963 1.89405 1.91393 1.88832 1.89011 1.94915 1.94561 1.89686 1.88579 1.89473 1.92053 1.87215 1.86471 1.94637 1.93543 1.92183 2.15729 2.13967 1.98408 2.08443 2.06801 2.12407 2.11441 1.94037 2.22773 2.09255 2.09781 2.09252 2.08876 2.12019 2.07423 2.12134 2.09410 2.06774 2.07725 2.07544 2.13048 2.08280 2.07280 2.12758 1.89347 1.93012 1.95008 1.86974 1.91442 1.90425 2.04899 2.11795 2.11624 2.10403 2.08303 2.09607 2.11178 2.07994 2.09143 2.10207 2.08705 2.09406 2.09406 2.09102 2.09807 2.08655 2.09827 2.09834 0.96645 -1.15381 3.06893 -0.31846 2.86002 -0.79199 -2.81325 1.36142 2.79930 0.77804 -1.33047 2.47996 -1.72788 0.42068 -1.06928 1.00607 -3.12856 0.00159 -3.07126 -2.71671 0.49363 -0.90394 2.28381 1.17969 -1.91575 -3.00627 0.18148 -1.24703 0.86276 2.93122 2.99961 -1.17378 0.89468 0.85588 2.96567 -1.24906 0.99777 -1.09026 3.07004 3.08634 0.99832 -1.12457 -1.13330 3.06186 0.93897 -3.09879 0.06949 -0.00191 -3.11681 3.09262 -0.05027 -0.00267 3.13762 -2.92040 0.09946 0.15323 -3.11009 -0.25305 2.84510 3.01431 -0.17072 -0.86605 2.27908 2.15092 -0.98714 0.80917 -1.23660 2.92177 -2.29256 1.94486 -0.17995 -3.13390 0.00506 -0.01891 3.12005 3.14028 0.00437 -0.00004 -3.13595 -3.12150 0.03081 0.01661 -3.11426 3.11948 -0.03158 -0.01869 3.11344 -3.13725 0.00098 -0.00134 3.13689 3.13557 -0.00267 -0.00340 3.14155 -0.00524 3.13820 3.12555 -0.01419 0.00930 3.14101 -3.12277 0.00894 -0.00449 -3.13894 3.13525 0.00080 0.00249 3.13694 -3.12918 0.00527 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.000365 0.000089 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.781090e-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 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 18 19 19 19 20 21 21 22 22 23 23 24 24 25 17 18 10 13 11 6 10 11 7 8 9 14 15 26 27 28 29 30 31 32 33 12 13 16 19 18 34 17 35 21 22 20 20 36 37 38 39 23 40 24 41 25 42 25 43 44 1.7579 1.7569 1.426 1.3609 1.2216 1.4953 1.4476 1.3937 1.5393 1.5475 1.5382 1.4012 1.3942 1.0858 1.0914 1.0925 1.0906 1.0935 1.0923 1.1001 1.0849 1.4934 1.3595 1.4847 1.4934 1.3865 1.0815 1.3941 1.08 1.4019 1.4013 1.3876 1.3934 1.0939 1.0942 1.0876 1.0807 1.3919 1.0817 1.3934 1.0846 1.3951 1.0844 1.3933 1.0844 1.0842 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 6 6 10 5 5 5 7 7 8 6 6 14 6 6 6 26 26 27 6 6 6 29 29 30 3 3 3 5 5 32 4 4 5 11 11 13 3 3 12 7 7 18 7 7 17 12 12 21 1 1 15 2 2 14 13 13 13 36 36 37 17 17 18 16 16 23 16 16 24 21 21 25 22 22 25 23 23 24 3 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 13 10 11 11 7 8 9 8 9 9 14 15 15 26 27 28 27 28 28 29 30 31 30 31 31 5 32 33 32 33 33 5 12 12 13 16 16 12 19 19 18 34 34 17 35 35 21 22 22 15 20 20 14 20 20 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 25 42 42 25 43 43 24 44 44 112.4381 119.5393 122.8899 112.9686 107.4697 111.5253 108.8575 106.0355 113.554 109.4064 118.736 122.1516 119.0606 111.3134 110.8313 108.2671 108.5207 109.6607 108.1935 108.2951 111.6774 111.4741 108.6819 108.0494 108.5612 110.0378 107.2659 106.8401 111.5185 110.892 110.1139 123.6033 122.5946 113.6795 119.4293 118.4882 121.7003 121.147 111.1758 127.638 119.894 120.1961 119.8922 119.6773 121.4784 118.8442 121.5432 119.9834 118.4731 119.0178 118.9143 122.0672 119.336 118.7625 121.9013 108.4878 110.5871 111.7308 107.1279 109.6893 109.1058 117.3988 121.3494 121.2515 120.5519 119.3487 120.0966 120.9955 119.1715 119.8308 120.4397 119.5795 119.9807 119.9806 119.8068 120.2101 119.5509 120.2222 120.2256 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 13 13 13 10 10 10 10 10 11 11 11 6 6 6 11 11 11 6 6 10 10 5 5 8 8 9 9 5 5 5 7 7 7 9 9 9 5 5 5 7 7 7 8 8 8 6 6 15 15 6 6 14 14 4 4 5 5 11 11 16 16 11 11 13 13 3 3 3 12 12 12 7 7 34 34 7 7 35 35 12 12 22 22 12 12 21 21 1 1 15 15 2 2 14 14 16 16 40 40 16 16 41 41 21 21 42 42 22 22 43 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 10 10 10 13 13 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 12 12 12 12 13 13 13 13 16 16 16 16 19 19 19 19 19 19 18 18 18 18 17 17 17 17 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 5 32 33 12 19 7 8 9 7 8 9 3 32 33 3 32 33 4 12 4 12 14 15 14 15 14 15 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 18 34 18 34 17 35 17 35 13 16 13 16 3 19 3 19 21 22 21 22 36 37 38 36 37 38 2 20 2 20 1 20 1 20 23 40 23 40 24 41 24 41 18 39 18 39 17 39 17 39 25 42 25 42 25 43 25 43 24 44 24 44 23 44 23 55.3734 -66.1079 175.8366 -18.2454 163.8658 -45.3714 -161.1842 78.0086 160.3913 44.5785 -76.2287 142.0877 -99.0043 24.1 -61.266 57.642 -179.2537 0.0956 -175.9654 -155.6549 28.2841 -51.7948 130.8473 67.5906 -109.7673 -172.2482 10.3939 -71.4501 49.4313 167.9461 171.8616 -67.257 51.2578 49.0356 169.9171 -71.5682 57.1715 -62.4628 175.9051 176.8381 57.2039 -64.4282 -64.9286 175.4371 53.8051 -177.5508 3.9797 -0.1098 -178.5793 177.1973 -2.8771 -0.1523 179.7733 -167.3273 5.6982 8.7787 -178.1957 -14.4992 163.0146 172.7069 -9.7793 -49.6205 130.5824 123.239 -56.5582 46.3609 -70.8526 167.405 -131.3573 111.4292 -10.3132 -179.5587 0.2901 -1.0845 178.7642 179.9244 0.2503 -0.0031 -179.6772 -178.8491 1.7658 0.951 -178.4341 178.7333 -1.8084 -1.07 178.3882 -179.7515 0.056 -0.0771 179.7304 179.6548 -0.1529 -0.1949 179.9974 -0.3002 179.8053 179.0803 -0.8141 0.5324 179.9662 -178.9223 0.5114 -0.257 -179.8477 179.637 0.0463 0.1424 179.7331 -179.289 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0540548798 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1735,2.5476,1.5832;3.6537,-.5501,-2.5257;-.9332,1.1457,-1.3079;-1.9412,-1.4134,1.605;-.4784,.1264,.7422;.6378,-.0782,1.6815;1.9174,.3399,.9532;.8421,-1.5563,2.0513;.3837,.7236,2.9592;-.5828,1.3711,.0362;-1.6613,-.5843,.7678;-2.5372,-.3061,-.3983;-2.0595,.4242,-1.4312;2.1743,-.1956,-.3081;2.8523,1.1876,1.5293;-3.8533,-.9719,-.4665;4.0252,1.4873,.8495;3.3485,.1189,-.9641;-2.6429,.5209,-2.7976;4.2937,.9642,-.4006;-3.9833,-2.3557,-.3571;-5.0034,-.2106,-.6642;-5.2272,-2.9562,-.4622;-6.2489,-.8109,-.7727;-6.364,-2.1881,-.6721;.0711,-1.9255,2.7189;.8654,-2.1941,1.1682;1.8077,-1.6508,2.5491;-.5612,.4031,3.3955;.3242,1.7976,2.7717;1.1604,.5535,3.7054;-1.3509,2.0209,.4807;.3676,1.8976,.0366;1.4537,-.8487,-.7814;2.6864,1.624,2.5034;-1.8551,.3841,-3.5403;-3.077,1.5073,-2.9715;-3.4126,-.2272,-2.9611;5.2076,1.2061,-.9233;-3.1069,-2.9674,-.1976;-4.9193,.8677,-.7251;-5.3097,-4.0321,-.3801;-7.129,-.2004,-.9272;-7.3336,-2.6616,-.753; 0.000000 5.365520 0.000000 6.900459 5.039731 0.000000 8.142987 7.007927 4.006222 0.000000 6.205944 5.311478 2.334306 2.292343 0.000000 5.241839 5.198015 3.592046 2.905116 1.473113 0.000000 3.984086 3.988694 3.726627 4.288064 2.414537 1.530578 0.000000 5.985183 5.465039 4.662283 2.822438 2.507762 1.537335 2.440906 0.000000 5.306847 6.511516 4.485640 3.435897 2.452524 1.529667 2.554138 2.496495 0.000000 6.075603 5.310639 1.407208 3.472676 1.434825 2.509484 2.855738 3.828952 3.146040 0.000000 7.562281 6.252837 2.798462 1.211058 1.380181 2.525264 3.700756 2.976452 3.270296 2.349846 0.000000 8.457227 6.550778 2.346853 2.365275 2.392987 3.802392 4.699683 4.356948 4.567795 2.611751 1.484693 0.000000 8.118570 5.898114 1.343190 3.550882 2.704068 4.149258 4.637602 4.946580 5.033290 2.286961 2.451693 1.352135 0.000000 4.483025 2.689254 3.529232 4.698953 2.871218 2.516606 1.394156 3.032014 3.837535 3.189827 4.002572 4.713643 4.423809 0.000000 2.690804 4.483867 4.730912 5.454189 3.583191 2.555268 1.387272 3.441341 2.890327 3.750063 4.908360 5.915498 5.785515 2.397725 0.000000 9.903079 7.795729 3.703892 2.853449 3.749259 5.057922 6.085800 5.359777 5.706324 4.054395 2.545282 1.476500 2.469279 6.079430 7.321970 0.000000 1.726598 3.959964 5.418205 6.676979 4.705952 3.823258 2.402078 4.565106 4.277205 4.680673 6.052619 6.916491 6.584406 2.756469 1.388364 8.357607 0.000000 3.964538 1.726123 4.416538 6.076934 4.190116 3.792898 2.402668 4.263941 4.954595 4.245470 5.347178 5.928090 5.436686 1.381312 2.757750 7.300923 2.370534 0.000000 9.186727 6.392897 2.352143 4.859700 4.167875 5.584324 5.907414 6.322330 6.507107 3.605160 3.859651 2.540007 1.488945 5.469626 7.025937 3.021142 7.661532 6.278619 0.000000 2.686391 2.686797 5.308163 6.967641 4.978005 4.334369 2.805145 4.927243 5.160783 4.912893 6.262927 6.947940 6.458775 2.417702 2.419035 8.374080 1.381464 1.387526 7.352466 0.000000 10.566680 8.141732 4.739922 2.984671 4.433248 5.540575 6.618292 5.451963 6.288942 5.060342 3.129720 2.508766 3.547188 6.525711 7.927124 1.394194 8.964424 7.761989 4.003430 8.918069 0.000000 10.780882 8.861503 4.338200 3.996637 4.750463 6.110888 7.128535 6.584408 6.559142 4.746939 3.655092 2.482340 3.107708 7.186537 8.275128 1.393369 9.310688 8.363788 3.264674 9.374673 2.395085 0.000000 11.943633 9.429670 5.998270 4.177513 5.788268 6.875819 7.994569 6.716646 7.531864 6.367440 4.455852 3.776706 4.732934 7.901083 9.295999 2.413560 10.347567 9.124243 4.921694 10.296607 1.385241 2.762179 0.000000 12.136806 10.060031 5.689598 4.957140 6.039241 7.347606 8.425673 7.668974 7.763602 6.125367 4.844668 3.764598 4.417104 8.458465 9.598199 2.420520 10.652264 9.644312 4.344788 10.697467 2.773477 1.386932 2.396438 0.000000 12.673874 10.318588 6.404020 5.034560 6.480522 7.682220 8.809865 7.729389 8.197303 6.825785 5.173086 4.273331 5.092056 8.775242 10.058895 2.797336 11.124688 9.987016 5.069753 11.117365 2.407237 2.400420 1.387926 1.385686 0.000000 6.879879 6.498662 5.162903 2.356279 2.901564 2.193111 3.414483 1.084619 2.678238 4.300196 2.933708 4.375163 5.223267 4.071682 4.340711 5.143568 5.547668 5.337173 6.616780 5.992576 5.107322 6.335299 6.265221 7.305866 7.278571 0.000000 6.419990 4.911542 4.529985 2.945676 2.715152 2.189179 2.752205 1.089521 3.457253 4.011204 3.022602 4.194764 4.708180 2.808401 3.938870 5.141186 4.862023 4.007912 5.950423 4.918260 5.085527 6.460231 6.352820 7.502929 7.459914 1.762796 0.000000 5.466976 5.511152 5.496259 3.873155 3.413060 2.143400 2.553789 1.090426 2.798807 4.600065 4.042779 5.419657 5.924692 3.227283 3.191827 6.449854 4.201603 4.224729 7.287704 4.660285 6.517533 7.667427 7.762792 8.754894 8.800024 1.766361 1.757791 0.000000 6.385174 7.330429 4.776193 2.899917 2.668932 2.146392 3.480305 2.759628 1.089013 3.496066 3.014938 4.335930 5.053878 4.643099 3.968676 5.257676 5.356556 5.862833 6.534654 6.188271 5.779581 6.048995 6.923708 7.155238 7.545315 2.505949 3.706925 3.247505 0.000000 5.048886 6.682852 4.318506 4.099152 2.748784 2.192118 2.823158 3.469303 1.091873 2.913357 3.692014 4.760442 5.023149 4.108686 2.882202 5.967163 4.181939 5.091246 6.438228 5.149252 6.752306 6.649871 7.992138 7.910275 8.513344 3.732018 4.335645 3.760500 1.765685 0.000000 4.958363 6.801606 5.465140 4.230828 3.413010 2.183642 2.862452 2.699787 1.090427 4.143758 4.229206 5.590315 6.063719 4.206872 2.828489 6.698408 4.151548 5.175046 7.533641 5.181228 7.171143 7.594044 8.395724 8.764313 9.126638 2.881858 3.751491 2.571914 1.755751 1.766049 0.000000 6.637842 6.379263 2.034625 3.661451 2.102058 3.130948 3.705455 4.480195 3.291605 1.099881 2.639202 2.755848 2.589748 4.238183 4.411399 4.014436 5.415054 5.271565 3.829703 5.809849 5.175504 4.430651 6.378568 5.794874 6.646461 4.754442 4.811517 5.266425 3.425877 2.846805 4.342642 0.000000 5.090283 4.832719 2.016275 4.330495 2.085919 2.585081 2.380802 4.026658 3.149676 1.086567 3.288015 3.671987 3.196265 2.786494 2.984234 5.128681 3.769181 3.612574 4.357922 4.059071 6.097267 5.812349 7.423672 7.195144 7.906339 4.679598 4.274453 4.580092 3.791938 2.737314 3.986944 1.779284 0.000000 5.564429 2.823429 3.154680 4.187985 2.646764 2.706557 2.153270 2.983138 4.196335 3.121424 3.489027 4.045775 3.792691 1.081544 3.382582 5.317748 3.837863 2.135403 4.766880 3.390676 5.657975 6.489605 7.012733 7.702755 7.932358 3.914491 2.440853 3.443957 4.803487 4.572009 4.709980 4.206303 3.064426 0.000000 2.808078 5.563699 5.277999 5.607809 3.919310 2.787445 2.154893 3.704136 2.514183 4.103588 5.176079 6.279459 6.280456 3.387936 1.080228 7.637219 2.132212 3.837600 7.597370 3.384027 8.276864 8.516624 9.612440 9.823578 10.321168 4.414217 4.435901 3.390922 3.582427 2.383799 2.218031 4.533100 3.396632 4.292311 0.000000 8.962880 5.678886 2.532477 5.450892 4.505754 5.804810 5.867290 6.504293 6.882679 3.922271 4.419817 3.288391 2.119387 5.198025 6.964630 3.908879 7.420623 5.812515 1.091315 6.928366 4.708314 4.305458 5.657144 5.328522 5.930599 6.944147 6.018193 7.391673 7.055474 6.825602 7.850013 4.370583 4.475000 4.481005 7.660944 0.000000 9.481459 7.052240 2.737500 5.546612 4.738286 6.161499 6.458281 7.069185 6.911145 3.909663 4.512335 3.193936 2.140388 6.129402 7.450850 3.608916 8.064792 6.873450 1.091635 7.825020 4.751803 3.462072 5.553715 4.502272 5.454162 7.353535 6.810316 8.019335 6.934479 6.681055 7.965336 3.893706 4.589792 5.556446 7.950186 1.754452 0.000000 10.103064 7.087097 3.281031 4.941845 4.738086 6.162982 6.637185 6.707709 7.096933 4.421093 4.135149 2.709369 2.143855 6.184910 7.836729 2.640457 8.531182 7.058394 1.085701 8.207459 3.411359 2.794075 4.121337 3.629735 4.218462 6.876229 6.262728 7.722695 6.995311 7.136435 8.121879 4.598996 5.271749 5.368273 8.395641 1.770513 1.766718 0.000000 2.843083 2.840208 6.153188 8.022404 6.022517 5.414557 3.885458 5.961269 6.211006 5.871729 7.297071 7.908494 7.326655 3.397675 3.400417 9.330179 2.149410 2.154021 8.100258 1.080314 9.873229 10.312071 11.243810 11.633744 12.061747 7.032485 5.898412 5.637227 7.250934 6.152307 6.183097 6.756431 4.982467 4.281821 4.274709 7.576769 8.539358 8.973054 0.000000 10.107010 7.547827 4.782812 2.650161 4.166988 5.089357 6.124243 4.758465 5.981059 5.024767 2.949765 2.729008 3.757882 5.965422 7.467157 2.147438 8.473938 7.196229 4.375347 8.382529 1.080641 3.378559 2.136777 3.854071 3.382463 4.437425 4.271099 5.781911 5.545347 6.579824 6.770520 5.331652 5.982966 5.062530 7.870157 4.896227 5.264878 3.903796 9.331461 0.000000 10.488812 8.874096 4.038050 4.416085 4.735406 6.129268 7.059422 6.839430 6.458838 4.431468 3.866706 2.675663 2.978939 7.184981 8.098271 2.141837 9.103125 8.305111 3.097976 9.219185 3.376661 1.083258 3.845320 2.141936 3.380530 6.675804 6.813367 7.893964 6.015627 6.370720 7.529332 3.939186 5.439910 6.600336 8.297145 4.189097 2.974866 2.910154 10.134527 4.274497 0.000000 12.531760 9.852472 6.842815 4.705915 6.472575 7.433499 8.551230 7.062979 8.135271 7.191069 5.149394 4.644409 5.614925 8.410377 9.874705 3.390231 10.914041 9.619637 5.803956 10.825337 2.137807 3.844342 1.082175 3.378278 2.144100 6.557002 6.626235 8.056535 7.514934 8.698270 8.920846 7.283666 8.219965 7.485943 10.210040 6.436111 6.510462 4.973769 11.762153 2.453420 4.927466 0.000000 12.853237 10.906177 6.351734 5.898897 6.864706 8.194136 9.255542 8.616744 8.508755 6.800745 5.737255 4.623395 5.132674 9.323888 10.372421 3.396738 11.420193 10.482457 4.913573 11.493945 3.855580 2.141853 3.380477 1.082147 2.145060 8.252926 8.501514 9.698037 7.885799 8.557091 9.525965 6.348450 7.844126 8.608388 10.556557 5.914664 4.849168 4.236637 12.416549 4.936190 2.462625 4.276824 0.000000 13.748500 11.327959 7.467804 6.016354 7.549972 8.726067 9.874264 8.713637 9.208501 7.903051 6.229205 5.355356 6.148045 9.832571 11.125538 3.879410 12.198497 11.040109 6.025856 12.184566 3.387428 3.383091 2.146712 2.145214 1.082078 8.211260 8.434024 9.771797 8.512758 9.536715 10.117412 7.696750 8.984372 8.972433 11.374173 6.859933 6.357726 5.116307 13.125190 4.274007 4.276155 2.472591 2.475780 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.9021,-.9909,-.966;-3.1521,3.0609,1.2269;.6485,1.1224,-1.4558;1.9571,-1.7318,1.0323;.2476,-.7772,-.1598;-.8748,-1.5403,.413;-2.1268,-.6721,.2662;-.7206,-1.7837,1.9231;-.9915,-2.8892,-.2989;.0985,-.1728,-1.4526;1.5655,-.9187,.2246;2.4644,.0967,-.3797;1.9322,1.1364,-1.0609;-2.0853,.644,.7242;-3.313,-1.168,-.2549;3.9088,.0268,-.0815;-4.437,-.3549,-.3102;-3.2173,1.4328,.6573;2.6224,2.4014,-1.4357;-4.4112,.9509,.14;4.3879,-.011,1.2273;4.8304,.0166,-1.1264;5.7501,-.0387,1.4776;6.1945,-.0081,-.8771;6.6586,-.0354,.4283;.0385,-2.5254,2.1465;-.472,-.8669,2.4567;-1.6772,-2.1379,2.3085;-.0521,-3.4291,-.1891;-1.1979,-2.7804,-1.3655;-1.7757,-3.5099,.1354;.6101,-.7586,-2.2303;-.9511,-.077,-1.7167;-1.1677,1.0551,1.1227;-3.3822,-2.1815,-.6222;1.9902,3.2519,-1.1754;2.7961,2.4511,-2.5122;3.5766,2.5056,-.9282;-5.2901,1.5771,.0895;3.6929,-.01,2.0548;4.4708,.0195,-2.1482;6.1051,-.0625,2.4996;6.8927,-.0144,-1.7038;7.7217,-.0577,.6287; 0.4108369 0.0927553 0.0856565 -101.56791 -101.56617 -19.18177 -19.09378 -14.34899 -10.27970 -10.27683 -10.26051 -10.25614 -10.25537 -10.24795 -10.21250 -10.20494 -10.20070 -10.19808 -10.18604 -10.18367 -10.18276 -10.17670 -10.17482 -10.17419 -10.17353 -10.17242 -10.17124 -10.16713 -9.48316 -9.48146 -7.24767 -7.24597 -7.23799 -7.23757 -7.23628 -7.23585 -1.12034 -1.05312 -0.96113 -0.92862 -0.89484 -0.86987 -0.85735 -0.82598 -0.81504 -0.76930 -0.75922 -0.75343 -0.75091 -0.72853 -0.71183 -0.70025 -0.66482 -0.62809 -0.61921 -0.61510 -0.60983 -0.58386 -0.55782 -0.54652 -0.54407 -0.52892 -0.51809 -0.51095 -0.49004 -0.47412 -0.47089 -0.46905 -0.45903 -0.45598 -0.44887 -0.44319 -0.43844 -0.43725 -0.42681 -0.42437 -0.41756 -0.41276 -0.41208 -0.41010 -0.40437 -0.39283 -0.39096 -0.38339 -0.38064 -0.37271 -0.36615 -0.36500 -0.35593 -0.35060 -0.34692 -0.33456 -0.33084 -0.32674 -0.27742 -0.27414 -0.26833 -0.26522 -0.26054 -0.25413 -0.23509 -0.04474 -0.04384 -0.04049 -0.01616 -0.01258 -0.00927 -0.00368 0.00080 0.00756 0.01143 0.01670 0.02182 0.02295 0.02571 0.02905 0.03690 0.03979 0.04290 0.04412 0.05051 0.05166 0.05559 0.06026 0.06267 0.06522 0.06794 0.07095 0.07397 0.08035 0.08204 0.08591 0.08885 0.08975 0.09503 0.09674 0.10048 0.10414 0.10621 0.10782 0.10995 0.11310 0.11499 0.11795 0.12321 0.12470 0.12752 0.12854 0.13025 0.13381 0.13643 0.14009 0.14124 0.14535 0.14868 0.15092 0.15299 0.15500 0.15658 0.15910 0.16294 0.16764 0.16826 0.17109 0.17241 0.17495 0.17672 0.18078 0.18460 0.18551 0.18884 0.19111 0.19415 0.19541 0.19642 0.19900 0.20178 0.20541 0.20587 0.21016 0.21041 0.21376 0.21523 0.21935 0.22300 0.22396 0.22604 0.22954 0.23232 0.23584 0.23801 0.24038 0.24249 0.24486 0.24904 0.25138 0.25245 0.25414 0.25616 0.26059 0.26586 0.27025 0.27343 0.27488 0.27585 0.28230 0.28368 0.28499 0.28747 0.28968 0.29148 0.29561 0.29696 0.29962 0.30316 0.30672 0.30727 0.31526 0.31824 0.32065 0.32291 0.32723 0.33196 0.33643 0.34252 0.34459 0.34664 0.35466 0.35700 0.36154 0.36591 0.37453 0.37615 0.38282 0.38438 0.39200 0.39957 0.40367 0.40932 0.41445 0.41657 0.41889 0.42676 0.43354 0.44095 0.44784 0.45405 0.45605 0.46866 0.47221 0.47530 0.47689 0.48403 0.49009 0.49524 0.50019 0.51239 0.52222 0.52671 0.53197 0.53545 0.53998 0.54268 0.54570 0.55588 0.55755 0.56535 0.56863 0.57129 0.57536 0.57935 0.58082 0.58610 0.59153 0.59667 0.59739 0.60606 0.60808 0.61633 0.62078 0.62449 0.62677 0.63276 0.64205 0.64523 0.65253 0.65631 0.66084 0.66472 0.66931 0.67708 0.68043 0.68186 0.68601 0.69030 0.69224 0.69566 0.70583 0.70866 0.71386 0.71751 0.72010 0.72458 0.73067 0.73641 0.73901 0.73941 0.74474 0.74906 0.75166 0.75644 0.76246 0.76468 0.77069 0.77444 0.77960 0.78861 0.80065 0.80577 0.81606 0.81887 0.82825 0.83289 0.83634 0.83871 0.84209 0.85088 0.85368 0.85769 0.85922 0.86420 0.86750 0.86864 0.87423 0.87926 0.88409 0.89052 0.89818 0.90924 0.91598 0.92181 0.92369 0.93097 0.94132 0.94642 0.95830 0.96034 0.96220 0.96689 0.97364 0.98647 0.99572 1.00234 1.00383 1.01266 1.02349 1.03471 1.04940 1.05529 1.06695 1.07324 1.08270 1.08426 1.08710 1.09315 1.09550 1.10043 1.11375 1.12614 1.14113 1.14876 1.15558 1.16557 1.17149 1.17655 1.19560 1.21115 1.22220 1.22832 1.23512 1.24268 1.25140 1.27104 1.27713 1.28371 1.29726 1.30389 1.31590 1.32403 1.33110 1.33647 1.34693 1.35998 1.36448 1.38433 1.39860 1.40743 1.42662 1.43008 1.44155 1.46287 1.46834 1.48345 1.49100 1.49720 1.50966 1.51401 1.51729 1.52397 1.53218 1.53481 1.54626 1.54658 1.55516 1.55801 1.57403 1.57543 1.58098 1.58522 1.59618 1.60594 1.60948 1.61302 1.61882 1.62564 1.63567 1.64181 1.65061 1.65999 1.66887 1.66947 1.67644 1.68144 1.68838 1.70134 1.70499 1.71586 1.71995 1.73245 1.73321 1.74497 1.74983 1.75735 1.77219 1.77868 1.78522 1.79641 1.80009 1.81487 1.81563 1.82382 1.82918 1.83144 1.83654 1.84617 1.86369 1.86865 1.87080 1.88759 1.90692 1.91141 1.92276 1.93040 1.93351 1.93927 1.94550 1.95886 1.96090 1.96822 1.97334 1.98217 1.98485 1.99109 1.99937 2.00512 2.01408 2.02317 2.03163 2.03312 2.04408 2.05659 2.05859 2.06734 2.08208 2.10062 2.10765 2.11547 2.15673 2.16037 2.17154 2.17798 2.19931 2.21607 2.22969 2.23294 2.24437 2.25201 2.26745 2.27014 2.28343 2.29800 2.30911 2.32854 2.33239 2.34668 2.36205 2.36471 2.38517 2.40884 2.41317 2.42484 2.42791 2.43709 2.44347 2.45476 2.46597 2.47085 2.47486 2.49840 2.50949 2.51362 2.52715 2.52892 2.54524 2.54637 2.55641 2.56146 2.57532 2.59063 2.60272 2.60681 2.61213 2.63303 2.64027 2.64301 2.65835 2.66128 2.66367 2.67448 2.68135 2.70110 2.70559 2.70642 2.71309 2.72897 2.73858 2.74392 2.75272 2.75627 2.75844 2.76646 2.77159 2.78641 2.79185 2.79833 2.80826 2.81635 2.81963 2.82904 2.83851 2.85511 2.86145 2.87236 2.87815 2.88163 2.90239 2.92351 2.93490 2.94488 2.95422 2.96262 2.97123 2.97911 2.98182 2.98704 3.00061 3.01838 3.03584 3.04988 3.07159 3.08592 3.11076 3.12256 3.14350 3.15729 3.18926 3.20022 3.21386 3.23220 3.24591 3.25477 3.26968 3.28296 3.29015 3.32487 3.37637 3.38589 3.39913 3.40920 3.41380 3.43604 3.44807 3.47579 3.52405 3.55502 3.57306 3.60484 3.61973 3.65497 3.66063 3.71127 3.72615 3.74721 3.78763 3.79954 3.82414 3.82774 3.84220 3.85244 3.85563 3.87124 3.90116 3.96136 3.99979 4.01416 4.04166 4.05890 4.11202 4.12629 4.16032 4.17226 4.18855 4.23456 4.26741 4.33055 4.43580 4.44265 4.84719 4.86639 4.90871 5.01702 5.11665 5.15823 5.34695 5.46433 5.78504 5.85087 9.77912 9.80387 23.51631 23.63198 23.76164 23.80184 23.86527 23.88233 23.93713 23.96493 23.97036 23.98402 23.98863 23.99718 24.01163 24.07811 24.08094 24.08512 24.12784 24.16908 24.19182 24.23363 25.83020 25.85226 26.12078 26.23111 26.63826 26.66999 35.59430 49.95562 50.08466 215.77016 215.79998 1-A. 0.0489 0.4629 -1.8802 1.9370 -164.4955 -164.2916 -157.7022 9.1753 -4.2200 1.6700 -2.3324 -2.1285 4.4609 9.1753 -4.2200 1.6700 60.2229 5.7643 -5.6458 -31.5719 28.5944 -6.4666 16.4497 1.4638 -10.4628 3.9145 -12763.6901 -2279.9001 -1197.9023 -90.7595 4.7260 52.5357 8.9302 17.5569 3.9366 -2699.1789 -2328.8484 -600.7752 -13.3372 -17.7275 15.7210 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3719,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; 0.000000 5.424327 0.000000 7.079899 5.166331 0.000000 8.166929 7.198644 4.036370 0.000000 6.270092 5.369507 2.354459 2.306369 0.000000 5.286461 5.242409 3.658444 2.891619 1.495310 0.000000 4.022627 4.027325 3.840209 4.324347 2.446901 1.539290 0.000000 6.061768 5.511377 4.691658 2.840143 2.515715 1.547512 2.465809 0.000000 5.358967 6.568650 4.554217 3.300018 2.467540 1.538175 2.574437 2.518451 0.000000 6.131784 5.315364 1.425971 3.496330 1.447590 2.542804 2.877264 3.847274 3.204142 0.000000 7.626491 6.424928 2.817638 1.221622 1.393709 2.538058 3.758988 2.998995 3.199378 2.369076 0.000000 8.574524 6.799800 2.369440 2.384941 2.417501 3.839737 4.800064 4.388455 4.520754 2.642282 1.493352 0.000000 8.297253 6.143308 1.360922 3.576077 2.729137 4.209582 4.766688 4.980950 5.046231 2.316662 2.464421 1.359486 0.000000 4.523000 2.719580 3.647120 4.813514 2.908905 2.531152 1.401208 3.049626 3.863465 3.193283 4.120050 4.886821 4.606681 0.000000 2.722381 4.526421 4.863891 5.453280 3.617177 2.568564 1.394243 3.482841 2.914402 3.781730 4.942607 5.994887 5.913883 2.409394 0.000000 10.012523 8.112189 3.735933 2.875185 3.779711 5.089884 6.190381 5.395860 5.621528 4.092644 2.559231 1.484731 2.484742 6.281031 7.394264 0.000000 1.757871 3.995412 5.566435 6.706669 4.743727 3.840595 2.410881 4.609449 4.307217 4.704160 6.111174 7.030069 6.746619 2.765155 1.394147 8.475011 0.000000 3.999006 1.756927 4.550991 6.199115 4.230101 3.811864 2.412950 4.293541 4.985200 4.245543 5.470370 6.119235 5.645855 1.386505 2.769520 7.530280 2.376193 0.000000 9.406692 6.686114 2.355999 4.897771 4.192344 5.649422 6.051192 6.356001 6.528909 3.630297 3.881210 2.560886 1.493412 5.671369 7.178885 3.059825 7.859571 6.525400 0.000000 2.715558 2.717371 5.461821 7.055040 5.023877 4.359404 2.821377 4.971932 5.198103 4.928335 6.364256 7.114510 6.660525 2.430160 2.433758 8.565312 1.387595 1.393353 7.596789 0.000000 10.687204 8.540355 4.788721 2.953835 4.442049 5.543017 6.724106 5.453795 6.145839 5.091635 3.115368 2.519390 3.588811 6.759185 7.997253 1.401853 9.098605 8.041333 4.090672 9.149291 0.000000 10.872230 9.148713 4.365735 4.053665 4.804772 6.164450 7.232462 6.647815 6.506554 4.800763 3.696356 2.499495 3.109692 7.374135 8.343104 1.401276 9.413715 8.571351 3.269686 9.544847 2.408690 0.000000 12.058162 9.861759 6.054684 4.158184 5.806126 6.880048 8.102398 6.723250 7.377270 6.407936 4.453037 3.794759 4.779491 8.145210 9.362218 2.426144 10.482768 9.420792 5.018184 10.539786 1.391876 2.777691 0.000000 12.225384 10.395174 5.729196 5.004458 6.092030 7.393654 8.532305 7.727113 7.684386 6.182963 4.881715 3.786330 4.434707 8.665242 9.662576 2.432311 10.760360 9.879664 4.377602 10.887586 2.787513 1.393400 2.409386 0.000000 12.774420 10.720102 6.456493 5.051239 6.518293 7.707448 8.919301 7.763585 8.072950 6.878033 5.192546 4.295796 5.128493 9.008245 10.123548 2.811294 11.248553 10.263469 5.142991 11.341777 2.418954 2.413129 1.395137 1.393314 0.000000 6.960152 6.540399 5.137697 2.292002 2.875267 2.189831 3.432101 1.085842 2.687437 4.295956 2.883375 4.321205 5.178045 4.083140 4.379848 5.082990 5.592558 5.363276 6.565663 6.036672 4.982536 6.321741 6.147725 7.279439 7.208184 0.000000 6.489925 4.943971 4.519547 3.050486 2.702113 2.187937 2.763289 1.091363 3.470668 3.988506 3.084353 4.259032 4.740268 2.810887 3.969538 5.240305 4.896633 4.026573 5.979312 4.953290 5.189480 6.571626 6.469664 7.626525 7.586369 1.767196 0.000000 5.564510 5.566814 5.557142 3.868701 3.432267 2.155956 2.589173 1.092480 2.827408 4.634178 4.063224 5.459713 5.983716 3.251529 3.252144 6.485789 4.266244 4.265173 7.351360 4.721139 6.517429 7.726871 7.761053 8.804748 8.823615 1.780674 1.768931 0.000000 6.441268 7.375827 4.795500 2.687877 2.659608 2.146737 3.494143 2.767004 1.090566 3.539812 2.885241 4.219106 5.000789 4.659197 3.992416 5.090901 5.385905 5.885326 6.485024 6.221248 5.529999 5.934406 6.662953 7.006551 7.331410 2.498942 3.705767 3.262071 0.000000 5.087050 6.727062 4.393843 3.955262 2.754612 2.191857 2.830127 3.486133 1.093477 2.969494 3.607022 4.698304 5.031244 4.123091 2.891325 5.862941 4.198324 5.108524 6.459717 5.172660 6.599360 6.569469 7.824384 7.803136 8.367026 3.735975 4.338187 3.789820 1.774536 0.000000 5.016562 6.860430 5.545102 4.096095 3.430457 2.188447 2.881800 2.724854 1.092318 4.201445 4.167730 5.551582 6.088552 4.230855 2.856953 6.615901 4.187317 5.206369 7.569002 5.221755 7.025087 7.539586 8.230435 8.677627 8.990696 2.907054 3.773931 2.605133 1.766543 1.774616 0.000000 6.603683 6.361879 2.043210 3.677876 2.115154 3.139411 3.678646 4.500651 3.309075 1.100063 2.650299 2.772709 2.603280 4.214511 4.369567 4.039601 5.362732 5.231859 3.846801 5.763225 5.186452 4.481697 6.400035 5.847418 6.685984 4.764926 4.805566 5.288418 3.459819 2.840991 4.355955 0.000000 5.165685 4.715067 2.026512 4.352866 2.095856 2.631740 2.381351 4.042322 3.288631 1.084897 3.306277 3.698447 3.220594 2.697491 3.035874 5.163597 3.783161 3.515347 4.373165 4.014978 6.125756 5.863166 7.461343 7.250598 7.956188 4.693019 4.215759 4.621032 3.916277 2.907982 4.124644 1.791080 0.000000 5.604192 2.848954 3.234016 4.350636 2.677020 2.718191 2.158067 2.989280 4.217256 3.107078 3.637350 4.249291 3.976692 1.081456 3.393137 5.565603 3.846364 2.141612 4.961581 3.403104 5.951392 6.718451 7.319463 7.958556 8.223380 3.912525 2.429181 3.453028 4.812357 4.581402 4.728583 4.193171 2.937529 0.000000 2.830303 5.605841 5.403614 5.561577 3.952685 2.804041 2.163967 3.753431 2.542579 4.148438 5.177865 6.317896 6.378172 3.401149 1.079964 7.652607 2.136045 3.848969 7.717302 3.396256 8.272546 8.533169 9.596012 9.825016 10.308653 4.464895 4.473849 3.459882 3.616263 2.397302 2.255850 4.498993 3.502497 4.305206 0.000000 9.227996 5.980954 2.511447 5.464705 4.498901 5.851865 6.009117 6.504075 6.906913 3.920372 4.416576 3.292843 2.112586 5.391153 7.136929 3.939200 7.649578 6.072524 1.093919 7.201843 4.793701 4.308867 5.758279 5.363477 6.008849 6.857454 5.996657 7.432907 7.002434 6.862004 7.892487 4.366584 4.461078 4.642409 7.804068 0.000000 9.642623 7.268161 2.724498 5.586061 4.755751 6.210680 6.561649 7.096400 6.926437 3.920264 4.533088 3.217052 2.139367 6.276055 7.558808 3.658431 8.205830 7.052326 1.094245 8.002570 4.845232 3.488903 5.664772 4.561643 5.551033 7.311739 6.827076 8.070668 6.895308 6.691880 7.990838 3.900963 4.588946 5.696553 8.032797 1.760423 0.000000 10.331207 7.447026 3.291600 4.990973 4.771757 6.233830 6.796373 6.754088 7.100742 4.453356 4.165273 2.733522 2.148443 6.422439 7.996435 2.684128 8.744347 7.347320 1.087576 8.482827 3.520148 2.785628 4.238561 3.654328 4.299515 6.826088 6.325604 7.795573 6.918295 7.134116 8.138508 4.620537 5.293787 5.614816 8.511112 1.783581 1.777427 0.000000 2.866696 2.866451 6.309734 8.117409 6.068435 5.440002 3.902087 6.006974 6.248842 5.884473 7.403930 8.086146 7.540245 3.410669 3.415339 9.539079 2.157243 2.161432 8.366002 1.080711 10.132438 10.495950 11.519650 11.843115 12.314265 7.079031 5.935685 5.699672 7.284856 6.176521 6.224974 6.704994 4.932431 4.295344 4.286756 7.880468 8.733476 9.275118 0.000000 10.231952 7.975584 4.829845 2.554624 4.142107 5.057468 6.219320 4.717481 5.797359 5.033913 2.895960 2.728090 3.804964 6.204484 7.529637 2.149833 8.611440 7.491464 4.479401 8.626580 1.081725 3.389505 2.148829 3.869139 3.398449 4.243978 4.356883 5.744779 5.241799 6.396934 6.584503 5.313937 5.990165 5.368300 7.851657 5.003815 5.365327 4.036625 9.608470 0.000000 10.569203 9.093971 4.051454 4.496959 4.805748 6.203457 7.159158 6.922802 6.456643 4.493381 3.925506 2.693586 2.958882 7.342385 8.166408 2.149801 9.190572 8.469372 3.050972 9.354475 3.391121 1.084633 3.862206 2.149786 3.394888 6.701813 6.918741 7.975437 5.974266 6.338568 7.525948 4.010982 5.499260 6.787440 8.329471 4.144465 2.944570 2.838423 10.275658 4.284882 0.000000 12.652011 10.327841 6.905368 4.664646 6.479728 7.421965 8.657763 7.049659 7.952297 7.227024 5.135793 4.663004 5.670388 8.667563 9.938767 3.404705 11.057600 9.940951 5.918359 11.089491 2.145533 3.862059 1.084385 3.393326 2.152738 6.407127 6.741567 8.032891 7.216602 8.507059 8.721992 7.297088 8.252950 7.809713 10.182391 6.560633 6.637603 5.113416 12.065856 2.469649 4.946544 0.000000 12.930065 11.219246 6.388677 5.960669 6.927733 8.250841 9.360714 8.687814 8.449397 6.865025 5.784764 4.647988 5.144994 9.520608 10.433874 3.410658 11.518647 10.702241 4.929465 11.669272 3.871851 2.149329 3.395126 1.084388 2.153532 8.249951 8.628559 9.759898 7.769442 8.466695 9.457506 6.413210 7.907184 8.851152 10.559286 5.934593 4.894084 4.235459 12.608073 4.953434 2.471978 4.293580 0.000000 13.844770 11.750544 7.523852 6.031827 7.588482 8.748721 9.983628 8.746368 9.074064 7.957330 6.249384 5.380019 6.187979 10.071985 11.186754 3.895531 12.322562 11.327419 6.104972 12.416474 3.401168 3.397241 2.155178 2.153572 1.084239 8.138814 8.565394 9.791107 8.288686 9.379420 9.967060 7.738200 9.036487 9.272115 11.352804 6.948047 6.463088 5.202435 13.388327 4.293547 4.292069 2.482772 2.484766 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.902,-1.1895,-1.1002;-3.4336,3.019,1.2701;.7073,1.3389,-1.3224;1.9766,-1.7209,.9837;.2626,-.6256,-.1033;-.851,-1.466,.4351;-2.1556,-.6664,.2682;-.6924,-1.713,1.9545;-.8579,-2.8149,-.3041;.0968,.0512,-1.3721;1.5993,-.8368,.2299;2.5291,.179,-.3478;2.0184,1.2786,-.9629;-2.2085,.6461,.756;-3.2993,-1.2233,-.3026;3.9845,.0326,-.0935;-4.4708,-.471,-.3753;-3.3871,1.3705,.6642;2.7261,2.5529,-1.2881;-4.5413,.8305,.1007;4.4858,-.1771,1.1988;4.8924,.1073,-1.1583;5.856,-.2878,1.4168;6.2644,-.0011,-.9403;6.751,-.1978,.3504;.1282,-2.3937,2.1602;-.5066,-.7763,2.4827;-1.6256,-2.1379,2.3315;.12,-3.2804,-.1762;-1.0485,-2.6886,-1.3734;-1.6111,-3.4916,.1058;.5748,-.5054,-2.1918;-.9538,.2097,-1.5917;-1.326,1.1042,1.1815;-3.3013,-2.2298,-.6941;2.1084,3.3892,-.9481;2.8469,2.6605,-2.3703;3.7037,2.6029,-.8141;-5.4545,1.4047,.0345;3.7959,-.2626,2.0276;4.5153,.2428,-2.1661;6.2267,-.4468,2.4234;6.9497,.0589,-1.7785;7.8175,-.2871,.5239; 0.4083532 0.0897167 0.0828327 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= 685 684 684 685 685 MxSgAt= 44 MxSgA2= 44. 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= 680 RedAO= T EigKep= 1.14D-06 NBF= 680 NBsUse= 677 1.00D-06 EigRej= 4.48D-07 NBFU= 677 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= 684 684 684 684 684 MxSgAt= 44 MxSgA2= 44. 1 1.92438961e-02 1.82135140e-01 -7.39724920e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.009856246 0.008982044 0.006071590 0.002529633 -0.005610893 -0.013206219 0.008018982 0.006550533 -0.010157726 -0.002539821 -0.012116620 0.012553812 0.001521020 -0.000798502 -0.000674968 0.004711318 -0.000261693 0.003600600 0.000120433 0.000316187 0.000035833 0.000504719 -0.006155997 0.002319947 -0.002014557 0.002532115 0.005106649 0.005226971 0.010012310 0.006684774 -0.002768830 0.003945139 -0.007064697 -0.001684599 -0.001052241 0.001776251 -0.009303306 -0.003280856 -0.004733211 -0.003159405 -0.003580743 -0.001686712 -0.001649655 0.001904062 0.005293702 0.001420248 0.000624706 -0.000071818 -0.004626422 -0.003850933 -0.002346832 -0.001360795 0.002558462 0.005708491 -0.001078443 -0.000625505 -0.003903152 0.004737955 0.001154621 -0.002840446 0.003985857 -0.003906027 0.000148023 -0.000839829 0.005464944 -0.000074004 -0.000386198 -0.005228411 0.000548527 -0.003971838 0.003417801 -0.000535666 -0.004911425 -0.002655417 -0.000426371 -0.002333140 0.000485321 -0.000178633 -0.000865067 0.000036922 -0.001440300 0.001709763 0.000494808 0.000571166 -0.001714151 -0.000955028 -0.000359310 0.000024761 0.001101962 -0.001198859 0.001268608 -0.000524455 0.000471276 -0.001538281 -0.000004882 -0.000370194 0.000218830 -0.000922890 -0.000420469 -0.000275523 0.000397584 -0.000012814 0.000538212 0.000226973 -0.000196428 0.002381328 0.000238803 -0.000233423 -0.000125705 0.002082061 0.000464375 -0.001044876 -0.001070048 0.000510608 0.000454942 0.000082482 -0.000270738 0.001563592 0.000332371 0.001024265 0.000296049 0.001056261 -0.000272247 -0.000093574 -0.001640308 0.000105070 -0.001349240 0.000934999 -0.000218863 -0.001454788 -0.000692022 -0.000100857 0.013206219 0.003726167 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1899.52855259429 -1899.52855499358 -0.000002399296 -1899.52855498395 0.000000009635 -1899.52855502433 -0.000000040382 -1899.52855502613 -0.000000001801 -1899.52855502656 -0.000000000430 -1899.52855502658 -0.000000000024 -1899.52855502659 -0.000000000009 -1899.52855502682 -0.000000000222 -1899.52855502661 0.000000000206 -1899.52855503 10 1.893128993436e+03 -9.312345163094e+03 3.095969793804e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323613418 LenY= 11323115688 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) PT60212.700S 2024-09-11T19:27:48.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.414552 0.434377 0.099962 -0.226713 0.262530 0.184106 -0.421783 -0.636443 -0.281437 -0.303459 -1.119282 2.351742 -0.791473 -0.842059 -0.963418 0.645288 0.678525 0.544101 -0.747314 -0.564519 -0.249926 -0.886675 -0.115245 -0.204422 -0.239237 0.200356 0.153367 0.144519 0.185029 0.146776 0.151964 0.169634 0.227773 0.159551 0.149460 0.162946 0.173931 0.180123 0.163914 0.130979 0.110423 0.122640 0.121639 0.123201 -0.00000 -101.56841 -101.56685 -19.18134 -19.09718 -14.35188 -10.28452 -10.27838 -10.26380 -10.26120 -10.26046 -10.25138 -10.21752 -10.20982 -10.20537 -10.20259 -10.18988 -10.18941 -10.18537 -10.17779 -10.17709 -10.17700 -10.17627 -10.17499 -10.17338 -10.16809 -9.48297 -9.48144 -7.24761 -7.24609 -7.23779 -7.23743 -7.23626 -7.23588 -1.10915 -1.04927 -0.95406 -0.92375 -0.88757 -0.86684 -0.85378 -0.82349 -0.81242 -0.76866 -0.75853 -0.75460 -0.74968 -0.72683 -0.70932 -0.69852 -0.66242 -0.62690 -0.61865 -0.61415 -0.60868 -0.58081 -0.55518 -0.54414 -0.54197 -0.52694 -0.51665 -0.50865 -0.48801 -0.47281 -0.46895 -0.46790 -0.45749 -0.45453 -0.44819 -0.44378 -0.43881 -0.43637 -0.42553 -0.42417 -0.41632 -0.41382 -0.41310 -0.41036 -0.40252 -0.39285 -0.39053 -0.38333 -0.37699 -0.37153 -0.36576 -0.36398 -0.35536 -0.35147 -0.34667 -0.33455 -0.33112 -0.32743 -0.27887 -0.27606 -0.27056 -0.26682 -0.26254 -0.25438 -0.23436 -0.04912 -0.04701 -0.04374 -0.01848 -0.01436 -0.01320 -0.00894 0.00054 0.00818 0.01108 0.01620 0.01740 0.02241 0.02620 0.02911 0.03554 0.03999 0.04175 0.04363 0.04998 0.05027 0.05472 0.05889 0.06108 0.06455 0.06781 0.06935 0.07297 0.07899 0.07954 0.08500 0.08668 0.08914 0.09384 0.09568 0.09946 0.10315 0.10437 0.10666 0.10705 0.11235 0.11366 0.11555 0.12162 0.12309 0.12541 0.12723 0.12814 0.13192 0.13410 0.13789 0.13875 0.14537 0.14734 0.15029 0.15082 0.15380 0.15489 0.15814 0.16166 0.16559 0.16785 0.16994 0.17095 0.17324 0.17604 0.17909 0.18236 0.18414 0.18667 0.18971 0.19297 0.19479 0.19515 0.19608 0.20058 0.20302 0.20471 0.20911 0.21078 0.21167 0.21294 0.21793 0.22034 0.22245 0.22478 0.22694 0.23014 0.23491 0.23700 0.23727 0.24129 0.24214 0.24796 0.24849 0.25002 0.25181 0.25521 0.25808 0.26290 0.26574 0.26866 0.27134 0.27264 0.27783 0.28056 0.28303 0.28481 0.28767 0.29052 0.29464 0.29562 0.29748 0.30331 0.30396 0.30609 0.31024 0.31370 0.31637 0.32071 0.32341 0.32836 0.33011 0.33762 0.34113 0.34433 0.35144 0.35598 0.35954 0.36411 0.36752 0.37241 0.37762 0.38067 0.38995 0.40008 0.40296 0.40629 0.41123 0.41558 0.42142 0.42408 0.43058 0.43608 0.44473 0.44694 0.45581 0.46447 0.46597 0.47031 0.47270 0.47931 0.48722 0.49350 0.49838 0.50888 0.51595 0.52137 0.52955 0.53369 0.53771 0.54145 0.54445 0.55162 0.55351 0.56238 0.56475 0.56569 0.57375 0.57463 0.57861 0.58361 0.58739 0.59207 0.59548 0.60410 0.60693 0.61156 0.61872 0.62057 0.62357 0.62761 0.63930 0.64197 0.64823 0.65411 0.65475 0.66122 0.66629 0.67539 0.67996 0.68098 0.68150 0.68827 0.68988 0.69233 0.69863 0.70522 0.70688 0.71297 0.71905 0.72212 0.72690 0.73217 0.73284 0.73826 0.74343 0.74448 0.74656 0.75198 0.75705 0.76156 0.76410 0.76663 0.77251 0.78355 0.79661 0.80618 0.81020 0.81526 0.82416 0.83110 0.83457 0.83842 0.84084 0.84603 0.85125 0.85476 0.85882 0.86082 0.86591 0.87090 0.87246 0.87439 0.88158 0.88391 0.89603 0.90317 0.91592 0.91691 0.92577 0.92996 0.93849 0.94536 0.95338 0.95695 0.95971 0.96518 0.96882 0.97682 0.98679 0.99787 1.00111 1.01267 1.01659 1.02909 1.04922 1.05060 1.05722 1.06368 1.07178 1.08012 1.08392 1.08996 1.09237 1.09797 1.11002 1.12424 1.13299 1.14039 1.15476 1.16154 1.16450 1.17377 1.18969 1.20315 1.21283 1.22004 1.23086 1.23817 1.24158 1.26032 1.27388 1.28423 1.29177 1.29446 1.31299 1.31454 1.32729 1.33494 1.33594 1.35367 1.36032 1.38425 1.39679 1.40621 1.42586 1.42927 1.43701 1.45578 1.46392 1.48178 1.48622 1.49152 1.50441 1.50552 1.51284 1.51780 1.52754 1.52881 1.54077 1.54512 1.54899 1.55337 1.56824 1.57224 1.57353 1.57940 1.59127 1.59491 1.59787 1.60612 1.61498 1.61906 1.63070 1.63237 1.64452 1.65061 1.65951 1.66253 1.66569 1.66922 1.67913 1.69251 1.69624 1.70454 1.71034 1.71913 1.72830 1.73543 1.74157 1.75263 1.76357 1.76952 1.77287 1.78692 1.79751 1.80501 1.80972 1.81629 1.82472 1.82528 1.83164 1.84366 1.85659 1.85689 1.86675 1.88032 1.90114 1.90454 1.91701 1.92214 1.92633 1.93302 1.93921 1.94957 1.95352 1.96146 1.96349 1.97764 1.97828 1.98115 1.99031 1.99926 2.00528 2.01408 2.01913 2.02456 2.03593 2.04511 2.04916 2.05488 2.06727 2.09356 2.09630 2.10280 2.14916 2.15078 2.16216 2.16656 2.18979 2.20835 2.21598 2.22857 2.23547 2.25127 2.26261 2.26612 2.27220 2.29046 2.30029 2.31526 2.32590 2.33646 2.35303 2.35593 2.37254 2.40094 2.40574 2.41203 2.41660 2.42794 2.43664 2.44062 2.45699 2.46400 2.46474 2.49221 2.50048 2.51062 2.51634 2.52706 2.53642 2.54266 2.54726 2.55362 2.56235 2.58322 2.59456 2.59722 2.60761 2.61752 2.62790 2.63514 2.64515 2.64795 2.65432 2.66386 2.67514 2.68811 2.69770 2.70603 2.71071 2.71763 2.72719 2.73777 2.74024 2.74528 2.75700 2.76228 2.76785 2.77543 2.78245 2.79580 2.80275 2.80870 2.81708 2.82275 2.82833 2.83924 2.85087 2.86239 2.86673 2.87346 2.89051 2.91272 2.92326 2.93406 2.93932 2.94850 2.95497 2.96264 2.96722 2.97844 2.98325 3.00700 3.01859 3.02416 3.06026 3.07867 3.09662 3.10342 3.13014 3.13258 3.16549 3.17540 3.19257 3.21341 3.22066 3.23118 3.24906 3.26186 3.27243 3.31026 3.34982 3.36877 3.37921 3.39061 3.39756 3.41778 3.42976 3.45415 3.51170 3.53445 3.54643 3.58327 3.60194 3.63322 3.63789 3.69684 3.70595 3.73403 3.77992 3.79185 3.81451 3.81881 3.83016 3.83937 3.84879 3.86915 3.88313 3.93019 3.99566 4.00459 4.02599 4.04793 4.10487 4.11782 4.15621 4.16536 4.17559 4.21928 4.25637 4.32030 4.41187 4.43655 4.83229 4.85236 4.87572 4.97563 5.10853 5.14788 5.34217 5.43930 5.74854 5.83580 9.76665 9.79115 23.51018 23.62374 23.74473 23.77864 23.84815 23.86515 23.90755 23.94446 23.95713 23.96457 23.97079 23.98583 24.00393 24.05513 24.05587 24.05933 24.10289 24.14141 24.15682 24.20065 25.82676 25.84372 26.10527 26.20874 26.61362 26.64325 35.57810 49.94590 50.06976 215.75687 215.78630 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.427822 0.440206 0.072582 -0.229077 0.289490 0.144675 -0.450897 -0.588164 -0.243124 -0.363810 -1.140593 2.280120 -0.749717 -0.842688 -0.949797 0.681625 0.682670 0.499006 -0.695939 -0.574957 -0.220251 -0.927465 -0.108573 -0.187993 -0.252947 0.203432 0.148931 0.144017 0.192785 0.144668 0.152998 0.168582 0.233330 0.160708 0.151889 0.164587 0.174790 0.179710 0.167248 0.135176 0.112688 0.124281 0.123219 0.124757 -0.00000 9.89890915e-02 2.25996196e-01 -6.88843319e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2516 0.5744 -1.7509 1.8598 -164.7807 -165.1515 -158.1423 8.6734 -3.9497 0.3225 -2.0892 -2.4600 4.5492 8.6734 -3.9497 0.3225 65.7536 8.2224 -5.3942 -27.1478 27.2374 -6.0591 17.2948 1.2530 -8.9065 -0.3288 -13230.8555 -2308.4833 -1187.8400 -132.9267 -3.0670 67.5631 13.6664 17.0809 -2.2396 -2795.0844 -2415.8045 -601.4279 -48.2733 -12.7539 10.3321 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1899.528555 3.19E-9 3.141E-6 -1.2672197,1.6132677,-0.346048,-3.8361978,6.3260853,1.400567 C01 [X(C20H19Cl2N1O2)] -0.2471733 0.6314028 -0.2749802 -0.000000043 -0.000000523 0.000000608 -0.000000174 0.000000763 -0.000000287 0.000007658 0.000005355 0.000003539 -0.000000811 -0.000002776 0.000001240 -0.000004051 -0.000004305 -0.000000818 -0.000002488 0.000006646 0.000004522 -0.000008591 -0.000007446 -0.000004485 0.000000218 0.000001953 -0.000003833 -0.000000016 -0.000001711 -0.000006112 -0.000000776 -0.000007347 -0.000003706 0.000015284 0.000003014 0.000001676 -0.000008277 -0.000000725 0.000000283 -0.000010098 -0.000001338 -0.000006082 -0.000000494 0.000002691 0.000003483 0.000008059 0.000003199 0.000000173 0.000005952 0.000000391 -0.000000151 -0.000003580 0.000000777 0.000006444 0.000002684 0.000000928 -0.000001128 0.000005512 0.000002967 0.000005766 -0.000000081 -0.000001481 -0.000002478 -0.000000445 0.000000485 -0.000000107 -0.000001240 0.000000072 -0.000001021 0.000000295 -0.000001136 -0.000001371 -0.000000637 0.000000650 -0.000000173 -0.000002093 -0.000000230 -0.000000376 0.000000032 -0.000001640 0.000000488 0.000001107 -0.000000466 -0.000002119 0.000001080 -0.000002132 0.000000930 -0.000000119 -0.000000945 0.000001993 0.000000571 0.000000277 0.000001962 -0.000000829 -0.000000844 0.000002988 0.000000064 0.000003023 0.000001800 -0.000000126 0.000001609 0.000001041 -0.000001217 -0.000000785 -0.000000365 -0.000001090 -0.000000232 -0.000000029 0.000000341 -0.000000148 -0.000001172 -0.000000743 0.000000733 -0.000000280 -0.000000546 0.000000358 -0.000001029 0.000000177 0.000000314 0.000000354 -0.000000646 -0.000000662 -0.000001127 -0.000000763 0.000000605 0.000000892 0.000000280 -0.000000180 -0.000000589 0.000000440 0.000000789 -0.000000417 0.000000224 -0.000000545 -0.000000927 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3718,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; Gaussian 16 GINC-GASCONES ALCAMI Optimization oxaziclomefone CONF11 gas EM64L-G16RevC.01 126 C1[X(C20H19Cl2NO2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3719,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; Optimization oxaziclomefone CONF11 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 3 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 18 19 19 19 20 21 21 22 22 23 23 24 24 25 17 18 10 13 11 6 10 11 7 8 9 14 15 26 27 28 29 30 31 32 33 12 13 16 19 18 34 17 35 21 22 20 20 36 37 38 39 23 40 24 41 25 42 25 43 44 1.7579 1.7569 1.426 1.3609 1.2216 1.4953 1.4476 1.3937 1.5393 1.5475 1.5382 1.4012 1.3942 1.0858 1.0914 1.0925 1.0906 1.0935 1.0923 1.1001 1.0849 1.4934 1.3595 1.4847 1.4934 1.3865 1.0815 1.3941 1.08 1.4019 1.4013 1.3876 1.3934 1.0939 1.0942 1.0876 1.0807 1.3919 1.0817 1.3934 1.0846 1.3951 1.0844 1.3933 1.0844 1.0842 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 10 6 6 10 5 5 5 7 7 8 6 6 14 6 6 6 26 26 27 6 6 6 29 29 30 3 3 3 5 5 32 4 4 5 11 11 13 3 3 12 7 7 18 7 7 17 12 12 21 1 1 15 2 2 14 13 13 13 36 36 37 17 17 18 16 16 23 16 16 24 21 21 25 22 22 25 23 23 24 3 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 13 10 11 11 7 8 9 8 9 9 14 15 15 26 27 28 27 28 28 29 30 31 30 31 31 5 32 33 32 33 33 5 12 12 13 16 16 12 19 19 18 34 34 17 35 35 21 22 22 15 20 20 14 20 20 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 25 42 42 25 43 43 24 44 44 112.4381 119.5393 122.8899 112.9686 107.4697 111.5253 108.8575 106.0355 113.554 109.4064 118.736 122.1516 119.0606 111.3134 110.8313 108.2671 108.5207 109.6607 108.1935 108.2951 111.6774 111.4741 108.6819 108.0494 108.5612 110.0378 107.2659 106.8401 111.5185 110.892 110.1139 123.6033 122.5946 113.6795 119.4293 118.4882 121.7003 121.147 111.1758 127.638 119.894 120.1961 119.8922 119.6773 121.4784 118.8442 121.5432 119.9834 118.4731 119.0178 118.9143 122.0672 119.336 118.7625 121.9013 108.4878 110.5871 111.7308 107.1279 109.6893 109.1058 117.3988 121.3494 121.2515 120.5519 119.3487 120.0966 120.9955 119.1715 119.8308 120.4397 119.5795 119.9807 119.9806 119.8068 120.2101 119.5509 120.2222 120.2256 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 13 13 13 10 10 10 10 10 11 11 11 6 6 6 11 11 11 6 6 10 10 5 5 8 8 9 9 5 5 5 7 7 7 9 9 9 5 5 5 7 7 7 8 8 8 6 6 15 15 6 6 14 14 4 4 5 5 11 11 16 16 11 11 13 13 3 3 3 12 12 12 7 7 34 34 7 7 35 35 12 12 22 22 12 12 21 21 1 1 15 15 2 2 14 14 16 16 40 40 16 16 41 41 21 21 42 42 22 22 43 43 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 10 10 10 13 13 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 12 12 12 12 13 13 13 13 16 16 16 16 19 19 19 19 19 19 18 18 18 18 17 17 17 17 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 5 32 33 12 19 7 8 9 7 8 9 3 32 33 3 32 33 4 12 4 12 14 15 14 15 14 15 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 18 34 18 34 17 35 17 35 13 16 13 16 3 19 3 19 21 22 21 22 36 37 38 36 37 38 2 20 2 20 1 20 1 20 23 40 23 40 24 41 24 41 18 39 18 39 17 39 17 39 25 42 25 42 25 43 25 43 24 44 24 44 23 44 23 44 55.3734 -66.1079 175.8366 -18.2454 163.8658 -45.3714 -161.1842 78.0086 160.3913 44.5785 -76.2287 142.0877 -99.0043 24.1 -61.266 57.642 -179.2537 0.0956 -175.9654 -155.6549 28.2841 -51.7948 130.8473 67.5906 -109.7673 -172.2482 10.3939 -71.4501 49.4313 167.9461 171.8616 -67.257 51.2578 49.0356 169.9171 -71.5682 57.1715 -62.4628 175.9051 176.8381 57.2039 -64.4282 -64.9286 175.4371 53.8051 -177.5508 3.9797 -0.1098 -178.5793 177.1973 -2.8771 -0.1523 179.7733 -167.3273 5.6982 8.7787 -178.1957 -14.4992 163.0146 172.7069 -9.7793 -49.6205 130.5824 123.239 -56.5582 46.3609 -70.8526 167.405 -131.3573 111.4292 -10.3132 -179.5587 0.2901 -1.0845 178.7642 179.9244 0.2503 -0.0031 -179.6772 -178.8491 1.7658 0.951 -178.4341 178.7333 -1.8084 -1.07 178.3882 -179.7515 0.056 -0.0771 179.7304 179.6548 -0.1529 -0.1949 179.9974 -0.3002 179.8053 179.0803 -0.8141 0.5324 179.9662 -178.9223 0.5114 -0.257 -179.8477 179.637 0.0463 0.1424 179.7331 -179.289 0.3016 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00176 0.00298 0.00324 0.00364 0.00576 0.00766 0.00890 0.00955 0.01451 0.01522 0.01601 0.01674 0.01688 0.01712 0.01774 0.01836 0.02002 0.02184 0.02204 0.02295 0.02345 0.02383 0.02439 0.02508 0.02525 0.02618 0.02803 0.02877 0.03011 0.03078 0.04475 0.04537 0.04673 0.04820 0.04860 0.05223 0.05489 0.05707 0.05995 0.06275 0.07285 0.08629 0.09907 0.10989 0.11231 0.11584 0.11895 0.11954 0.12080 0.12135 0.12169 0.12239 0.12416 0.12531 0.12715 0.13707 0.14151 0.14391 0.14704 0.14778 0.15753 0.15826 0.15899 0.17641 0.17733 0.18339 0.18426 0.18706 0.19108 0.19216 0.19387 0.19547 0.20183 0.20827 0.20963 0.21819 0.23099 0.24344 0.25022 0.25512 0.25752 0.26387 0.26896 0.27401 0.28016 0.28228 0.29676 0.30303 0.31584 0.31759 0.32920 0.33072 0.33271 0.33418 0.33557 0.33731 0.34021 0.34235 0.34463 0.34946 0.35105 0.35267 0.35335 0.35535 0.35660 0.35711 0.36014 0.36391 0.36566 0.36845 0.37209 0.37583 0.40883 0.41056 0.41884 0.42525 0.42614 0.45938 0.46319 0.46353 0.46660 0.48058 0.50350 0.50543 0.53820 0.78649 Angle between quadratic step and forces= 70.79 degrees. 1 2 0.00006652 0.00000001 0.00000000 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 D104 D105 D106 D107 D108 D109 D110 D111 3.32190 3.32011 2.69469 2.57177 2.30853 2.82573 2.73555 2.63373 2.90884 2.92437 2.90673 2.64790 2.63474 2.05194 2.06238 2.06449 2.06087 2.06637 2.06418 2.07882 2.05016 2.82203 2.56906 2.80574 2.82214 2.62011 2.04366 2.63456 2.04084 2.64912 2.64803 2.62217 2.63306 2.06721 2.06782 2.05522 2.04225 2.63026 2.04416 2.63314 2.04966 2.63643 2.04919 2.63298 2.04920 2.04891 1.96241 2.08636 2.14483 1.97167 1.87570 1.94648 1.89992 1.85067 1.98189 1.90950 2.07233 2.13195 2.07800 1.94279 1.93437 1.88962 1.89404 1.91394 1.88833 1.89011 1.94914 1.94559 1.89686 1.88582 1.89475 1.92052 1.87214 1.86471 1.94637 1.93543 1.92185 2.15728 2.13968 1.98408 2.08443 2.06801 2.12407 2.11441 1.94038 2.22770 2.09254 2.09782 2.09251 2.08876 2.12020 2.07422 2.12133 2.09411 2.06775 2.07725 2.07545 2.13047 2.08281 2.07280 2.12758 1.89347 1.93011 1.95007 1.86974 1.91444 1.90425 2.04900 2.11795 2.11624 2.10403 2.08303 2.09608 2.11177 2.07993 2.09144 2.10207 2.08706 2.09406 2.09406 2.09102 2.09806 2.08656 2.09827 2.09833 0.96645 -1.15380 3.06893 -0.31844 2.86000 -0.79188 -2.81320 1.36151 2.79936 0.77804 -1.33044 2.47990 -1.72795 0.42062 -1.06929 1.00604 -3.12857 0.00167 -3.07118 -2.71669 0.49365 -0.90399 2.28372 1.17968 -1.91580 -3.00630 0.18141 -1.24704 0.86274 2.93121 2.99955 -1.17386 0.89462 0.85583 2.96561 -1.24910 0.99783 -1.09018 3.07012 3.08641 0.99840 -1.12448 -1.13322 3.06196 0.93908 -3.09885 0.06946 -0.00192 -3.11680 3.09268 -0.05021 -0.00266 3.13764 -2.92041 0.09945 0.15322 -3.11010 -0.25306 2.84514 3.01430 -0.17068 -0.86604 2.27909 2.15093 -0.98713 0.80915 -1.23661 2.92177 -2.29262 1.94481 -0.18000 -3.13389 0.00506 -0.01893 3.12002 3.14027 0.00437 -0.00005 -3.13596 -3.12151 0.03082 0.01660 -3.11426 3.11949 -0.03156 -0.01868 3.11346 -3.13725 0.00098 -0.00134 3.13689 3.13557 -0.00267 -0.00340 3.14155 -0.00524 3.13820 3.12554 -0.01421 0.00929 3.14100 -3.12278 0.00893 -0.00449 -3.13893 3.13526 0.00081 0.00249 3.13693 -3.12918 0.00526 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00003 0.00000 -0.00001 0.00000 -0.00003 -0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00004 0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00004 0.00002 0.00002 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00000 -0.00003 -0.00001 0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00003 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00002 0.00003 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00000 0.00000 -0.00002 -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 0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00002 -0.00002 0.00002 -0.00009 -0.00004 -0.00006 -0.00006 -0.00001 -0.00004 0.00004 0.00007 0.00004 0.00002 0.00005 0.00001 -0.00009 -0.00010 -0.00006 -0.00007 0.00006 0.00010 0.00004 0.00008 0.00005 0.00009 0.00000 0.00001 0.00000 0.00004 0.00005 0.00004 0.00002 0.00003 0.00003 -0.00005 -0.00006 -0.00007 -0.00004 -0.00006 -0.00006 -0.00006 -0.00008 -0.00008 0.00005 0.00003 0.00001 -0.00001 -0.00006 -0.00006 -0.00002 -0.00002 0.00006 0.00005 0.00007 0.00006 -0.00003 -0.00008 -0.00002 -0.00007 0.00006 0.00006 0.00004 0.00005 0.00012 0.00011 0.00009 0.00016 0.00015 0.00014 -0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00003 0.00000 -0.00001 0.00000 -0.00003 -0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00004 0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00004 0.00002 0.00002 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00000 -0.00003 -0.00001 0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00003 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00002 0.00003 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00000 0.00000 -0.00002 -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 0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00002 -0.00002 0.00002 -0.00009 -0.00004 -0.00006 -0.00006 -0.00001 -0.00004 0.00004 0.00007 0.00004 0.00002 0.00005 0.00001 -0.00009 -0.00010 -0.00006 -0.00007 0.00006 0.00010 0.00004 0.00008 0.00005 0.00009 0.00000 0.00001 0.00000 0.00004 0.00005 0.00004 0.00002 0.00003 0.00003 -0.00005 -0.00006 -0.00007 -0.00004 -0.00006 -0.00006 -0.00006 -0.00008 -0.00008 0.00005 0.00003 0.00001 -0.00001 -0.00006 -0.00006 -0.00002 -0.00002 0.00006 0.00005 0.00007 0.00006 -0.00003 -0.00008 -0.00002 -0.00007 0.00006 0.00006 0.00004 0.00005 0.00012 0.00011 0.00009 0.00016 0.00015 0.00014 -0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 3.32189 3.32011 2.69467 2.57180 2.30854 2.82572 2.73555 2.63369 2.90883 2.92438 2.90672 2.64789 2.63475 2.05195 2.06238 2.06449 2.06087 2.06637 2.06419 2.07883 2.05016 2.82206 2.56906 2.80572 2.82212 2.62012 2.04366 2.63454 2.04084 2.64912 2.64804 2.62219 2.63305 2.06721 2.06782 2.05522 2.04225 2.63027 2.04416 2.63314 2.04966 2.63643 2.04919 2.63298 2.04920 2.04891 1.96241 2.08632 2.14484 1.97169 1.87569 1.94648 1.89993 1.85063 1.98191 1.90952 2.07234 2.13194 2.07799 1.94280 1.93436 1.88963 1.89405 1.91393 1.88833 1.89012 1.94916 1.94560 1.89686 1.88579 1.89474 1.92053 1.87216 1.86472 1.94637 1.93543 1.92182 2.15730 2.13966 1.98409 2.08442 2.06803 2.12407 2.11440 1.94037 2.22773 2.09255 2.09781 2.09251 2.08877 2.12019 2.07423 2.12135 2.09409 2.06773 2.07726 2.07544 2.13047 2.08280 2.07280 2.12758 1.89347 1.93013 1.95008 1.86974 1.91442 1.90425 2.04900 2.11795 2.11624 2.10403 2.08303 2.09607 2.11178 2.07994 2.09143 2.10208 2.08705 2.09406 2.09406 2.09101 2.09807 2.08655 2.09827 2.09834 0.96647 -1.15380 3.06895 -0.31846 2.86002 -0.79197 -2.81323 1.36144 2.79929 0.77803 -1.33048 2.47994 -1.72788 0.42066 -1.06927 1.00609 -3.12855 0.00158 -3.07128 -2.71675 0.49358 -0.90393 2.28382 1.17972 -1.91572 -3.00625 0.18150 -1.24704 0.86275 2.93122 2.99959 -1.17381 0.89465 0.85586 2.96565 -1.24907 0.99779 -1.09025 3.07006 3.08637 0.99834 -1.12454 -1.13328 3.06188 0.93899 -3.09879 0.06949 -0.00190 -3.11680 3.09262 -0.05028 -0.00267 3.13761 -2.92036 0.09950 0.15329 -3.11004 -0.25309 2.84507 3.01429 -0.17075 -0.86598 2.27915 2.15097 -0.98708 0.80927 -1.23651 2.92186 -2.29246 1.94496 -0.17986 -3.13389 0.00506 -0.01891 3.12004 3.14028 0.00438 -0.00004 -3.13595 -3.12150 0.03082 0.01660 -3.11427 3.11948 -0.03159 -0.01868 3.11344 -3.13725 0.00098 -0.00134 3.13689 3.13556 -0.00267 -0.00341 3.14154 -0.00524 3.13820 3.12555 -0.01419 0.00930 3.14101 -3.12276 0.00895 -0.00449 -3.13894 3.13525 0.00079 0.00249 3.13694 -3.12919 0.00527 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000002 0.000336 0.000067 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.174445e-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 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 18 19 19 19 20 21 21 22 22 23 23 24 24 25 17 18 10 13 11 6 10 11 7 8 9 14 15 26 27 28 29 30 31 32 33 12 13 16 19 18 34 17 35 21 22 20 20 36 37 38 39 23 40 24 41 25 42 25 43 44 1.7579 1.7569 1.426 1.3609 1.2216 1.4953 1.4476 1.3937 1.5393 1.5475 1.5382 1.4012 1.3942 1.0858 1.0914 1.0925 1.0906 1.0935 1.0923 1.1001 1.0849 1.4934 1.3595 1.4847 1.4934 1.3865 1.0815 1.3941 1.08 1.4019 1.4013 1.3876 1.3934 1.0939 1.0942 1.0876 1.0807 1.3919 1.0817 1.3934 1.0846 1.3951 1.0844 1.3933 1.0844 1.0842 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 6 6 10 5 5 5 7 7 8 6 6 14 6 6 6 26 26 27 6 6 6 29 29 30 3 3 3 5 5 32 4 4 5 11 11 13 3 3 12 7 7 18 7 7 17 12 12 21 1 1 15 2 2 14 13 13 13 36 36 37 17 17 18 16 16 23 16 16 24 21 21 25 22 22 25 23 23 24 3 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 13 10 11 11 7 8 9 8 9 9 14 15 15 26 27 28 27 28 28 29 30 31 30 31 31 5 32 33 32 33 33 5 12 12 13 16 16 12 19 19 18 34 34 17 35 35 21 22 22 15 20 20 14 20 20 36 37 38 37 38 38 18 39 39 23 40 40 24 41 41 25 42 42 25 43 43 24 44 44 112.4381 119.5393 122.8899 112.9686 107.4697 111.5253 108.8575 106.0355 113.554 109.4064 118.736 122.1516 119.0606 111.3134 110.8313 108.2671 108.5207 109.6607 108.1935 108.2951 111.6774 111.4741 108.6819 108.0494 108.5612 110.0378 107.2659 106.8401 111.5185 110.892 110.1139 123.6033 122.5946 113.6795 119.4293 118.4882 121.7003 121.147 111.1758 127.638 119.894 120.1961 119.8922 119.6773 121.4784 118.8442 121.5432 119.9834 118.4731 119.0178 118.9143 122.0672 119.336 118.7625 121.9013 108.4878 110.5871 111.7308 107.1279 109.6893 109.1058 117.3988 121.3494 121.2515 120.5519 119.3487 120.0966 120.9955 119.1715 119.8308 120.4397 119.5795 119.9807 119.9806 119.8068 120.2101 119.5509 120.2222 120.2256 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 13 13 13 10 10 10 10 10 11 11 11 6 6 6 11 11 11 6 6 10 10 5 5 8 8 9 9 5 5 5 7 7 7 9 9 9 5 5 5 7 7 7 8 8 8 6 6 15 15 6 6 14 14 4 4 5 5 11 11 16 16 11 11 13 13 3 3 3 12 12 12 7 7 34 34 7 7 35 35 12 12 22 22 12 12 21 21 1 1 15 15 2 2 14 14 16 16 40 40 16 16 41 41 21 21 42 42 22 22 43 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 10 10 10 13 13 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 15 15 15 15 12 12 12 12 13 13 13 13 16 16 16 16 19 19 19 19 19 19 18 18 18 18 17 17 17 17 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 5 32 33 12 19 7 8 9 7 8 9 3 32 33 3 32 33 4 12 4 12 14 15 14 15 14 15 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 18 34 18 34 17 35 17 35 13 16 13 16 3 19 3 19 21 22 21 22 36 37 38 36 37 38 2 20 2 20 1 20 1 20 23 40 23 40 24 41 24 41 18 39 18 39 17 39 17 39 25 42 25 42 25 43 25 43 24 44 24 44 23 44 23 55.3734 -66.1079 175.8366 -18.2454 163.8658 -45.3714 -161.1842 78.0086 160.3913 44.5785 -76.2287 142.0877 -99.0043 24.1 -61.266 57.642 -179.2537 0.0956 -175.9654 -155.6549 28.2841 -51.7948 130.8473 67.5906 -109.7673 -172.2482 10.3939 -71.4501 49.4313 167.9461 171.8616 -67.257 51.2578 49.0356 169.9171 -71.5682 57.1715 -62.4628 175.9051 176.8381 57.2039 -64.4282 -64.9286 175.4371 53.8051 -177.5508 3.9797 -0.1098 -178.5793 177.1973 -2.8771 -0.1523 179.7733 -167.3273 5.6982 8.7787 -178.1957 -14.4992 163.0146 172.7069 -9.7793 -49.6205 130.5824 123.239 -56.5582 46.3609 -70.8526 167.405 -131.3573 111.4292 -10.3132 -179.5587 0.2901 -1.0845 178.7642 179.9244 0.2503 -0.0031 -179.6772 -178.8491 1.7658 0.951 -178.4341 178.7333 -1.8084 -1.07 178.3882 -179.7515 0.056 -0.0771 179.7304 179.6548 -0.1529 -0.1949 179.9974 -0.3002 179.8053 179.0803 -0.8141 0.5324 179.9662 -178.9223 0.5114 -0.257 -179.8477 179.637 0.0463 0.1424 179.7331 -179.289 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 705 A 680 A 680 1086 705 98 98 2423.7716076830 44 44 44 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 -0.0537868560 0.000000 5.424327 0.000000 7.079899 5.166331 0.000000 8.166929 7.198644 4.036370 0.000000 6.270092 5.369507 2.354459 2.306369 0.000000 5.286461 5.242409 3.658444 2.891619 1.495310 0.000000 4.022627 4.027325 3.840209 4.324347 2.446901 1.539290 0.000000 6.061768 5.511377 4.691658 2.840143 2.515715 1.547512 2.465809 0.000000 5.358967 6.568650 4.554217 3.300018 2.467540 1.538175 2.574437 2.518451 0.000000 6.131784 5.315364 1.425971 3.496330 1.447590 2.542804 2.877264 3.847274 3.204142 0.000000 7.626491 6.424928 2.817638 1.221622 1.393709 2.538058 3.758988 2.998995 3.199378 2.369076 0.000000 8.574524 6.799800 2.369440 2.384941 2.417501 3.839737 4.800064 4.388455 4.520754 2.642282 1.493352 0.000000 8.297253 6.143308 1.360922 3.576077 2.729137 4.209582 4.766688 4.980950 5.046231 2.316662 2.464421 1.359486 0.000000 4.523000 2.719580 3.647120 4.813514 2.908905 2.531152 1.401208 3.049626 3.863465 3.193283 4.120050 4.886821 4.606681 0.000000 2.722381 4.526421 4.863891 5.453280 3.617177 2.568564 1.394243 3.482841 2.914402 3.781730 4.942607 5.994887 5.913883 2.409394 0.000000 10.012523 8.112189 3.735933 2.875185 3.779711 5.089884 6.190381 5.395860 5.621528 4.092644 2.559231 1.484731 2.484742 6.281031 7.394264 0.000000 1.757871 3.995412 5.566435 6.706669 4.743727 3.840595 2.410881 4.609449 4.307217 4.704160 6.111174 7.030069 6.746619 2.765155 1.394147 8.475011 0.000000 3.999006 1.756927 4.550991 6.199115 4.230101 3.811864 2.412950 4.293541 4.985200 4.245543 5.470370 6.119235 5.645855 1.386505 2.769520 7.530280 2.376193 0.000000 9.406692 6.686114 2.355999 4.897771 4.192344 5.649422 6.051192 6.356001 6.528909 3.630297 3.881210 2.560886 1.493412 5.671369 7.178885 3.059825 7.859571 6.525400 0.000000 2.715558 2.717371 5.461821 7.055040 5.023877 4.359404 2.821377 4.971932 5.198103 4.928335 6.364256 7.114510 6.660525 2.430160 2.433758 8.565312 1.387595 1.393353 7.596789 0.000000 10.687204 8.540355 4.788721 2.953835 4.442049 5.543017 6.724106 5.453795 6.145839 5.091635 3.115368 2.519390 3.588811 6.759185 7.997253 1.401853 9.098605 8.041333 4.090672 9.149291 0.000000 10.872230 9.148713 4.365735 4.053665 4.804772 6.164450 7.232462 6.647815 6.506554 4.800763 3.696356 2.499495 3.109692 7.374135 8.343104 1.401276 9.413715 8.571351 3.269686 9.544847 2.408690 0.000000 12.058162 9.861759 6.054684 4.158184 5.806126 6.880048 8.102398 6.723250 7.377270 6.407936 4.453037 3.794759 4.779491 8.145210 9.362218 2.426144 10.482768 9.420792 5.018184 10.539786 1.391876 2.777691 0.000000 12.225384 10.395174 5.729196 5.004458 6.092030 7.393654 8.532305 7.727113 7.684386 6.182963 4.881715 3.786330 4.434707 8.665242 9.662576 2.432311 10.760360 9.879664 4.377602 10.887586 2.787513 1.393400 2.409386 0.000000 12.774420 10.720102 6.456493 5.051239 6.518293 7.707448 8.919301 7.763585 8.072950 6.878033 5.192546 4.295796 5.128493 9.008245 10.123548 2.811294 11.248553 10.263469 5.142991 11.341777 2.418954 2.413129 1.395137 1.393314 0.000000 6.960152 6.540399 5.137697 2.292002 2.875267 2.189831 3.432101 1.085842 2.687437 4.295956 2.883375 4.321205 5.178045 4.083140 4.379848 5.082990 5.592558 5.363276 6.565663 6.036672 4.982536 6.321741 6.147725 7.279439 7.208184 0.000000 6.489925 4.943971 4.519547 3.050486 2.702113 2.187937 2.763289 1.091363 3.470668 3.988506 3.084353 4.259032 4.740268 2.810887 3.969538 5.240305 4.896633 4.026573 5.979312 4.953290 5.189480 6.571626 6.469664 7.626525 7.586369 1.767196 0.000000 5.564510 5.566814 5.557142 3.868701 3.432267 2.155956 2.589173 1.092480 2.827408 4.634178 4.063224 5.459713 5.983716 3.251529 3.252144 6.485789 4.266244 4.265173 7.351360 4.721139 6.517429 7.726871 7.761053 8.804748 8.823615 1.780674 1.768931 0.000000 6.441268 7.375827 4.795500 2.687877 2.659608 2.146737 3.494143 2.767004 1.090566 3.539812 2.885241 4.219106 5.000789 4.659197 3.992416 5.090901 5.385905 5.885326 6.485024 6.221248 5.529999 5.934406 6.662953 7.006551 7.331410 2.498942 3.705767 3.262071 0.000000 5.087050 6.727062 4.393843 3.955262 2.754612 2.191857 2.830127 3.486133 1.093477 2.969494 3.607022 4.698304 5.031244 4.123091 2.891325 5.862941 4.198324 5.108524 6.459717 5.172660 6.599360 6.569469 7.824384 7.803136 8.367026 3.735975 4.338187 3.789820 1.774536 0.000000 5.016562 6.860430 5.545102 4.096095 3.430457 2.188447 2.881800 2.724854 1.092318 4.201445 4.167730 5.551582 6.088552 4.230855 2.856953 6.615901 4.187317 5.206369 7.569002 5.221755 7.025087 7.539586 8.230435 8.677627 8.990696 2.907054 3.773931 2.605133 1.766543 1.774616 0.000000 6.603683 6.361879 2.043210 3.677876 2.115154 3.139411 3.678646 4.500651 3.309075 1.100063 2.650299 2.772709 2.603280 4.214511 4.369567 4.039601 5.362732 5.231859 3.846801 5.763225 5.186452 4.481697 6.400035 5.847418 6.685984 4.764926 4.805566 5.288418 3.459819 2.840991 4.355955 0.000000 5.165685 4.715067 2.026512 4.352866 2.095856 2.631740 2.381351 4.042322 3.288631 1.084897 3.306277 3.698447 3.220594 2.697491 3.035874 5.163597 3.783161 3.515347 4.373165 4.014978 6.125756 5.863166 7.461343 7.250598 7.956188 4.693019 4.215759 4.621032 3.916277 2.907982 4.124644 1.791080 0.000000 5.604192 2.848954 3.234016 4.350636 2.677020 2.718191 2.158067 2.989280 4.217256 3.107078 3.637350 4.249291 3.976692 1.081456 3.393137 5.565603 3.846364 2.141612 4.961581 3.403104 5.951392 6.718451 7.319463 7.958556 8.223380 3.912525 2.429181 3.453028 4.812357 4.581402 4.728583 4.193171 2.937529 0.000000 2.830303 5.605841 5.403614 5.561577 3.952685 2.804041 2.163967 3.753431 2.542579 4.148438 5.177865 6.317896 6.378172 3.401149 1.079964 7.652607 2.136045 3.848969 7.717302 3.396256 8.272546 8.533169 9.596012 9.825016 10.308653 4.464895 4.473849 3.459882 3.616263 2.397302 2.255850 4.498993 3.502497 4.305206 0.000000 9.227996 5.980954 2.511447 5.464705 4.498901 5.851865 6.009117 6.504075 6.906913 3.920372 4.416576 3.292843 2.112586 5.391153 7.136929 3.939200 7.649578 6.072524 1.093919 7.201843 4.793701 4.308867 5.758279 5.363477 6.008849 6.857454 5.996657 7.432907 7.002434 6.862004 7.892487 4.366584 4.461078 4.642409 7.804068 0.000000 9.642623 7.268161 2.724498 5.586061 4.755751 6.210680 6.561649 7.096400 6.926437 3.920264 4.533088 3.217052 2.139367 6.276055 7.558808 3.658431 8.205830 7.052326 1.094245 8.002570 4.845232 3.488903 5.664772 4.561643 5.551033 7.311739 6.827076 8.070668 6.895308 6.691880 7.990838 3.900963 4.588946 5.696553 8.032797 1.760423 0.000000 10.331207 7.447026 3.291600 4.990973 4.771757 6.233830 6.796373 6.754088 7.100742 4.453356 4.165273 2.733522 2.148443 6.422439 7.996435 2.684128 8.744347 7.347320 1.087576 8.482827 3.520148 2.785628 4.238561 3.654328 4.299515 6.826088 6.325604 7.795573 6.918295 7.134116 8.138508 4.620537 5.293787 5.614816 8.511112 1.783581 1.777427 0.000000 2.866696 2.866451 6.309734 8.117409 6.068435 5.440002 3.902087 6.006974 6.248842 5.884473 7.403930 8.086146 7.540245 3.410669 3.415339 9.539079 2.157243 2.161432 8.366002 1.080711 10.132438 10.495950 11.519650 11.843115 12.314265 7.079031 5.935685 5.699672 7.284856 6.176521 6.224974 6.704994 4.932431 4.295344 4.286756 7.880468 8.733476 9.275118 0.000000 10.231952 7.975584 4.829845 2.554624 4.142107 5.057468 6.219320 4.717481 5.797359 5.033913 2.895960 2.728090 3.804964 6.204484 7.529637 2.149833 8.611440 7.491464 4.479401 8.626580 1.081725 3.389505 2.148829 3.869139 3.398449 4.243978 4.356883 5.744779 5.241799 6.396934 6.584503 5.313937 5.990165 5.368300 7.851657 5.003815 5.365327 4.036625 9.608470 0.000000 10.569203 9.093971 4.051454 4.496959 4.805748 6.203457 7.159158 6.922802 6.456643 4.493381 3.925506 2.693586 2.958882 7.342385 8.166408 2.149801 9.190572 8.469372 3.050972 9.354475 3.391121 1.084633 3.862206 2.149786 3.394888 6.701813 6.918741 7.975437 5.974266 6.338568 7.525948 4.010982 5.499260 6.787440 8.329471 4.144465 2.944570 2.838423 10.275658 4.284882 0.000000 12.652011 10.327841 6.905368 4.664646 6.479728 7.421965 8.657763 7.049659 7.952297 7.227024 5.135793 4.663004 5.670388 8.667563 9.938767 3.404705 11.057600 9.940951 5.918359 11.089491 2.145533 3.862059 1.084385 3.393326 2.152738 6.407127 6.741567 8.032891 7.216602 8.507059 8.721992 7.297088 8.252950 7.809713 10.182391 6.560633 6.637603 5.113416 12.065856 2.469649 4.946544 0.000000 12.930065 11.219246 6.388677 5.960669 6.927733 8.250841 9.360714 8.687814 8.449397 6.865025 5.784764 4.647988 5.144994 9.520608 10.433874 3.410658 11.518647 10.702241 4.929465 11.669272 3.871851 2.149329 3.395126 1.084388 2.153532 8.249951 8.628559 9.759898 7.769442 8.466695 9.457506 6.413210 7.907184 8.851152 10.559286 5.934593 4.894084 4.235459 12.608073 4.953434 2.471978 4.293580 0.000000 13.844770 11.750544 7.523852 6.031827 7.588482 8.748721 9.983628 8.746368 9.074064 7.957330 6.249384 5.380019 6.187979 10.071985 11.186754 3.895531 12.322562 11.327419 6.104972 12.416474 3.401168 3.397241 2.155178 2.153572 1.084239 8.138814 8.565394 9.791107 8.288686 9.379420 9.967060 7.738200 9.036487 9.272115 11.352804 6.948047 6.463088 5.202435 13.388327 4.293547 4.292069 2.482772 2.484766 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.902,-1.1895,-1.1002;-3.4336,3.019,1.2701;.7073,1.3389,-1.3224;1.9766,-1.7209,.9837;.2626,-.6256,-.1033;-.851,-1.466,.4351;-2.1556,-.6664,.2682;-.6924,-1.713,1.9545;-.8579,-2.8149,-.3041;.0968,.0512,-1.3721;1.5993,-.8368,.2299;2.5291,.179,-.3478;2.0184,1.2786,-.9629;-2.2085,.6461,.756;-3.2993,-1.2233,-.3026;3.9845,.0326,-.0935;-4.4708,-.471,-.3753;-3.3871,1.3705,.6642;2.7261,2.5529,-1.2881;-4.5413,.8305,.1007;4.4858,-.1771,1.1988;4.8924,.1073,-1.1583;5.856,-.2878,1.4168;6.2644,-.0011,-.9403;6.751,-.1978,.3504;.1282,-2.3937,2.1602;-.5066,-.7763,2.4827;-1.6256,-2.1379,2.3315;.12,-3.2804,-.1762;-1.0485,-2.6886,-1.3734;-1.6111,-3.4916,.1058;.5748,-.5054,-2.1918;-.9538,.2097,-1.5917;-1.326,1.1042,1.1815;-3.3013,-2.2298,-.6941;2.1084,3.3892,-.9481;2.8469,2.6605,-2.3703;3.7037,2.6029,-.8141;-5.4545,1.4047,.0345;3.7959,-.2626,2.0276;4.5153,.2428,-2.1661;6.2267,-.4468,2.4234;6.9497,.0589,-1.7785;7.8175,-.2871,.5239; 0.4083532 0.0897167 0.0828327 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= 680 RedAO= T EigKep= 1.14D-06 NBF= 680 NBsUse= 677 1.00D-06 EigRej= 4.48D-07 NBFU= 677 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= 684 684 684 684 684 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1899.52855502671 -1899.52855502643 0.000000000282 -1899.52855503 2 1.893128993273e+03 -9.312345162979e+03 3.095969793853e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323613418 LenY= 11323115688 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= 44. Will process 45 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 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. 13638 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 132 IRICut= 330 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= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 74.61% of shell-pairs survive, threshold= 0.20 IRatSp=75. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 5.67D-14 1.00D-09 XBig12= 3.38D+02 5.92D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 5.67D-14 1.00D-09 XBig12= 8.24D+01 1.29D+00. 132 vectors produced by pass 2 Test12= 5.67D-14 1.00D-09 XBig12= 7.42D-01 6.54D-02. 132 vectors produced by pass 3 Test12= 5.67D-14 1.00D-09 XBig12= 4.23D-03 4.85D-03. 132 vectors produced by pass 4 Test12= 5.67D-14 1.00D-09 XBig12= 1.26D-05 2.61D-04. 127 vectors produced by pass 5 Test12= 5.67D-14 1.00D-09 XBig12= 2.12D-08 1.10D-05. 53 vectors produced by pass 6 Test12= 5.67D-14 1.00D-09 XBig12= 3.18D-11 3.88D-07. 4 vectors produced by pass 7 Test12= 5.67D-14 1.00D-09 XBig12= 4.38D-14 1.96D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 844 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 275.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 361.670 -4.727 248.242 22.042 -1.731 217.289 471.118 -19.146 404.514 42.846 -8.362 371.171 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT54540.500S 2024-09-11T21:21:52.000 -101.56841 -101.56685 -19.18134 -19.09718 -14.35188 -10.28452 -10.27838 -10.26380 -10.26120 -10.26046 -10.25138 -10.21752 -10.20982 -10.20537 -10.20259 -10.18988 -10.18941 -10.18537 -10.17779 -10.17709 -10.17700 -10.17627 -10.17499 -10.17338 -10.16809 -9.48297 -9.48144 -7.24761 -7.24609 -7.23779 -7.23743 -7.23626 -7.23588 -1.10915 -1.04927 -0.95406 -0.92375 -0.88757 -0.86684 -0.85378 -0.82349 -0.81242 -0.76866 -0.75853 -0.75460 -0.74968 -0.72683 -0.70932 -0.69852 -0.66242 -0.62690 -0.61865 -0.61415 -0.60868 -0.58081 -0.55518 -0.54414 -0.54197 -0.52694 -0.51665 -0.50865 -0.48801 -0.47281 -0.46895 -0.46790 -0.45749 -0.45453 -0.44819 -0.44378 -0.43881 -0.43637 -0.42553 -0.42417 -0.41632 -0.41382 -0.41310 -0.41036 -0.40252 -0.39285 -0.39053 -0.38333 -0.37699 -0.37153 -0.36576 -0.36398 -0.35536 -0.35147 -0.34667 -0.33455 -0.33112 -0.32743 -0.27887 -0.27606 -0.27056 -0.26682 -0.26254 -0.25438 -0.23436 -0.04912 -0.04701 -0.04374 -0.01848 -0.01436 -0.01320 -0.00894 0.00054 0.00818 0.01108 0.01620 0.01740 0.02241 0.02620 0.02911 0.03554 0.03999 0.04175 0.04363 0.04998 0.05027 0.05472 0.05889 0.06108 0.06455 0.06781 0.06935 0.07297 0.07899 0.07954 0.08500 0.08668 0.08914 0.09384 0.09568 0.09946 0.10315 0.10437 0.10666 0.10705 0.11235 0.11366 0.11555 0.12162 0.12309 0.12541 0.12723 0.12814 0.13192 0.13410 0.13789 0.13875 0.14537 0.14734 0.15029 0.15082 0.15380 0.15489 0.15814 0.16166 0.16559 0.16785 0.16994 0.17095 0.17324 0.17604 0.17909 0.18236 0.18414 0.18667 0.18971 0.19297 0.19479 0.19515 0.19608 0.20058 0.20302 0.20471 0.20911 0.21078 0.21167 0.21294 0.21793 0.22034 0.22245 0.22478 0.22694 0.23014 0.23491 0.23700 0.23727 0.24129 0.24214 0.24796 0.24849 0.25002 0.25181 0.25521 0.25808 0.26290 0.26574 0.26866 0.27134 0.27264 0.27783 0.28056 0.28303 0.28481 0.28767 0.29052 0.29464 0.29562 0.29748 0.30331 0.30396 0.30609 0.31024 0.31370 0.31637 0.32071 0.32341 0.32836 0.33011 0.33762 0.34113 0.34433 0.35144 0.35598 0.35954 0.36411 0.36752 0.37241 0.37762 0.38067 0.38995 0.40008 0.40296 0.40629 0.41123 0.41558 0.42142 0.42408 0.43058 0.43608 0.44473 0.44694 0.45581 0.46447 0.46597 0.47031 0.47270 0.47931 0.48722 0.49350 0.49838 0.50888 0.51595 0.52137 0.52955 0.53369 0.53771 0.54145 0.54445 0.55162 0.55351 0.56238 0.56475 0.56569 0.57375 0.57463 0.57861 0.58361 0.58739 0.59207 0.59548 0.60410 0.60693 0.61156 0.61872 0.62057 0.62357 0.62761 0.63930 0.64197 0.64823 0.65411 0.65475 0.66122 0.66629 0.67539 0.67996 0.68098 0.68150 0.68827 0.68988 0.69233 0.69863 0.70522 0.70688 0.71297 0.71905 0.72212 0.72690 0.73217 0.73284 0.73826 0.74343 0.74448 0.74656 0.75198 0.75705 0.76156 0.76410 0.76663 0.77251 0.78355 0.79661 0.80618 0.81020 0.81526 0.82416 0.83110 0.83457 0.83842 0.84084 0.84603 0.85125 0.85476 0.85882 0.86082 0.86591 0.87090 0.87246 0.87439 0.88158 0.88391 0.89603 0.90317 0.91592 0.91691 0.92577 0.92996 0.93849 0.94536 0.95338 0.95695 0.95971 0.96518 0.96882 0.97682 0.98679 0.99787 1.00111 1.01267 1.01659 1.02909 1.04922 1.05060 1.05722 1.06368 1.07178 1.08012 1.08392 1.08996 1.09237 1.09797 1.11002 1.12424 1.13299 1.14039 1.15476 1.16154 1.16450 1.17377 1.18969 1.20315 1.21283 1.22004 1.23086 1.23817 1.24158 1.26032 1.27388 1.28423 1.29177 1.29446 1.31299 1.31454 1.32729 1.33494 1.33594 1.35367 1.36032 1.38425 1.39679 1.40621 1.42586 1.42927 1.43701 1.45578 1.46392 1.48178 1.48622 1.49152 1.50441 1.50552 1.51284 1.51780 1.52754 1.52881 1.54077 1.54512 1.54899 1.55337 1.56824 1.57224 1.57353 1.57940 1.59127 1.59491 1.59787 1.60612 1.61498 1.61906 1.63070 1.63237 1.64452 1.65061 1.65951 1.66253 1.66569 1.66922 1.67913 1.69251 1.69624 1.70454 1.71034 1.71913 1.72830 1.73543 1.74157 1.75263 1.76357 1.76952 1.77287 1.78692 1.79751 1.80501 1.80972 1.81629 1.82472 1.82528 1.83164 1.84366 1.85659 1.85689 1.86675 1.88032 1.90114 1.90454 1.91701 1.92214 1.92633 1.93302 1.93921 1.94957 1.95352 1.96146 1.96349 1.97764 1.97828 1.98115 1.99031 1.99926 2.00528 2.01408 2.01913 2.02456 2.03593 2.04511 2.04916 2.05488 2.06727 2.09356 2.09630 2.10280 2.14916 2.15078 2.16216 2.16656 2.18979 2.20835 2.21598 2.22857 2.23547 2.25127 2.26261 2.26612 2.27220 2.29046 2.30029 2.31526 2.32590 2.33646 2.35303 2.35593 2.37254 2.40094 2.40574 2.41203 2.41660 2.42794 2.43664 2.44062 2.45699 2.46400 2.46474 2.49221 2.50048 2.51062 2.51634 2.52706 2.53642 2.54266 2.54726 2.55362 2.56235 2.58322 2.59456 2.59722 2.60761 2.61752 2.62790 2.63514 2.64515 2.64795 2.65432 2.66386 2.67514 2.68811 2.69770 2.70603 2.71071 2.71763 2.72719 2.73777 2.74024 2.74528 2.75700 2.76228 2.76785 2.77543 2.78245 2.79580 2.80275 2.80870 2.81708 2.82275 2.82833 2.83924 2.85087 2.86239 2.86673 2.87346 2.89051 2.91272 2.92326 2.93406 2.93932 2.94850 2.95497 2.96264 2.96722 2.97844 2.98325 3.00700 3.01859 3.02416 3.06026 3.07867 3.09662 3.10342 3.13014 3.13258 3.16549 3.17540 3.19257 3.21341 3.22066 3.23118 3.24906 3.26186 3.27243 3.31026 3.34982 3.36877 3.37921 3.39061 3.39756 3.41778 3.42976 3.45415 3.51170 3.53445 3.54643 3.58327 3.60194 3.63322 3.63789 3.69684 3.70595 3.73403 3.77992 3.79185 3.81451 3.81881 3.83016 3.83937 3.84879 3.86915 3.88313 3.93019 3.99566 4.00459 4.02599 4.04793 4.10487 4.11782 4.15621 4.16536 4.17559 4.21928 4.25637 4.32030 4.41187 4.43655 4.83229 4.85236 4.87572 4.97563 5.10853 5.14788 5.34217 5.43930 5.74854 5.83580 9.76665 9.79115 23.51018 23.62374 23.74473 23.77864 23.84815 23.86515 23.90755 23.94446 23.95713 23.96457 23.97079 23.98583 24.00393 24.05513 24.05587 24.05933 24.10289 24.14141 24.15682 24.20065 25.82676 25.84372 26.10527 26.20874 26.61362 26.64325 35.57810 49.94590 50.06976 215.75687 215.78630 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.427822 0.440206 0.072582 -0.229077 0.289490 0.144675 -0.450897 -0.588164 -0.243124 -0.363810 -1.140593 2.280121 -0.749718 -0.842688 -0.949797 0.681625 0.682670 0.499006 -0.695939 -0.574957 -0.220251 -0.927465 -0.108573 -0.187993 -0.252947 0.203432 0.148931 0.144017 0.192785 0.144668 0.152998 0.168582 0.233330 0.160708 0.151889 0.164587 0.174790 0.179710 0.167248 0.135176 0.112688 0.124281 0.123219 0.124757 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C 0.427822 0.440206 0.072582 -0.229077 0.289490 0.144675 -0.450897 -0.091784 0.247327 0.038102 -1.140593 2.280121 -0.749718 -0.681980 -0.797909 0.681625 0.682670 0.499006 -0.176852 -0.407709 -0.085074 -0.814776 0.015708 -0.064775 -0.128190 -0.00000 9.89890574e-02 2.25996265e-01 -6.88843268e-01 3.61669788e+02 -4.72729932e+00 2.48242305e+02 2.20418841e+01 -1.73088756e+00 2.17289416e+02 -3.8827 -1.6139 -1.0736 -0.0005 0.0004 0.0007 16.1095 24.2426 30.9106 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.0890 24.2425 30.9099 53.3866 63.8250 79.4990 92.5123 135.5720 150.3510 158.9854 164.6489 178.5390 184.2531 208.4647 212.4590 216.3560 267.1575 275.7800 280.0394 313.6750 323.1487 334.6667 342.7944 372.1138 399.3706 409.4572 415.7639 417.4540 441.8550 451.9110 465.8659 521.6880 527.5188 539.7276 541.2968 578.3899 586.5169 602.4502 628.0814 635.8924 679.7298 710.1656 714.8149 752.1106 771.4314 798.8557 799.4527 806.1797 854.7879 868.6057 878.3672 894.8437 912.8992 921.0159 932.8458 946.4151 952.7357 985.4544 1003.0417 1008.3996 1012.7669 1017.9543 1033.4829 1038.8461 1057.0664 1059.2128 1070.4898 1109.3647 1110.0292 1126.8499 1143.9992 1149.9694 1160.4491 1190.2326 1192.0162 1213.6601 1214.6411 1221.7371 1274.5865 1284.6526 1307.4012 1316.3446 1325.4307 1332.8335 1355.2316 1371.8435 1404.2497 1421.9661 1424.8139 1444.4353 1452.3850 1462.9680 1470.8653 1477.0731 1479.6702 1484.2516 1500.0619 1513.7029 1516.6161 1520.4348 1526.8338 1598.8961 1613.2339 1624.1128 1641.8036 1649.7983 1716.4332 2971.9661 3030.5924 3030.9221 3045.7560 3080.8749 3097.4267 3109.7902 3120.6373 3150.3605 3155.9604 3161.9293 3164.1571 3165.2177 3174.1786 3185.4754 3205.6661 3207.0390 3218.5362 3222.0217 7.4195 8.0950 5.5111 4.9591 4.7502 5.1864 4.2947 5.4478 1.9408 9.9131 3.2603 4.8463 2.4919 3.0307 4.6739 4.4835 1.8546 4.3236 2.4400 3.0721 3.2797 2.9792 1.0348 3.2697 3.6718 8.5159 4.2267 2.9740 7.3807 4.2495 3.6960 3.9954 4.2652 7.3051 5.3099 4.0150 3.9753 4.1741 4.3077 6.2367 5.3531 1.6949 2.3432 3.1936 3.7895 5.8413 8.8239 5.8718 1.2540 3.2286 1.5344 1.5277 1.4064 2.4369 1.5782 1.9552 1.7641 1.3706 1.3260 2.9026 5.9319 5.4554 2.7887 1.8007 1.9826 1.6768 2.6730 1.9485 1.7580 1.8271 2.9565 1.6528 3.4585 1.1228 2.1997 3.2802 1.2580 2.7808 3.3052 1.8818 3.6858 3.3978 1.4369 2.4317 1.5595 2.7455 1.2283 1.4991 1.2230 2.6385 1.4143 2.6259 1.7370 1.1498 1.1291 1.1189 1.0506 1.0574 1.1032 1.0625 2.2267 6.2312 5.2460 6.2620 5.4554 7.2387 11.4232 1.0728 1.0367 1.0395 1.0393 1.0992 1.1020 1.1014 1.1014 1.0992 1.0855 1.0929 1.0883 1.0989 1.0927 1.0970 1.0936 1.0913 1.0932 1.0908 0.0011 0.0028 0.0031 0.0083 0.0114 0.0193 0.0217 0.0590 0.0258 0.1476 0.0521 0.0910 0.0498 0.0776 0.1243 0.1237 0.0780 0.1937 0.1127 0.1781 0.2018 0.1966 0.0716 0.2668 0.3450 0.8412 0.4305 0.3054 0.8490 0.5113 0.4726 0.6407 0.6993 1.2538 0.9167 0.7914 0.8057 0.8926 1.0012 1.4858 1.4572 0.5036 0.7054 1.0644 1.3287 2.1963 3.3227 2.2485 0.5398 1.4352 0.6975 0.7207 0.6906 1.2179 0.8092 1.0318 0.9434 0.7842 0.7860 1.7390 3.5848 3.3307 1.7549 1.1449 1.3053 1.1084 1.8047 1.4128 1.2763 1.3669 2.2797 1.2878 2.7440 0.9372 1.8416 2.8467 1.0936 2.4456 3.1636 1.8298 3.7120 3.4688 1.4873 2.5451 1.6876 3.0443 1.4271 1.7859 1.4628 3.2434 1.7577 3.3113 2.2141 1.4780 1.4564 1.4523 1.3929 1.4275 1.4951 1.4471 3.0584 9.3857 8.0441 9.7318 8.6641 11.6083 19.8286 5.5830 5.6101 5.6263 5.6802 6.1469 6.2292 6.2758 6.3198 6.4274 6.3699 6.4380 6.4199 6.4867 6.4866 6.5584 6.6211 6.6133 6.6721 6.6718 0.0423 0.2405 0.4765 1.2615 1.6558 0.8254 0.0565 0.1751 1.0245 0.2991 0.2071 2.5286 0.1095 0.9443 0.0246 0.6235 1.8503 0.4860 0.2535 2.6335 0.8522 2.4689 0.2703 19.3430 3.1237 5.8033 1.2224 0.5826 3.6876 1.0801 8.0251 5.9773 2.0714 2.9010 0.0259 7.7449 20.9556 0.7409 5.7355 1.0811 8.4146 39.0063 19.7621 25.8173 7.5478 17.6596 84.5691 27.7015 0.8398 25.7465 27.5482 7.5624 2.4980 14.0564 0.4513 13.7124 4.6578 0.2591 0.6257 23.1673 1.8856 4.8477 20.7289 7.3152 1.5488 0.7595 10.2063 44.5974 32.6173 26.3121 12.7027 4.0286 1.8785 0.0379 13.0279 119.0117 7.5231 54.4212 16.0012 2.6468 256.1167 12.9470 4.6303 9.4239 26.3114 320.1762 10.3325 91.2940 20.2415 74.3281 38.9048 10.8240 19.9147 4.2323 8.8648 3.1613 9.3212 9.0387 5.0968 13.6874 14.5329 112.5468 2.3511 75.9720 3.9338 105.6817 313.6580 47.7988 18.2704 12.0295 17.6145 6.7816 22.1035 21.4764 10.8200 6.3966 2.2210 9.4875 2.6940 6.2153 24.8343 23.9939 3.8944 0.0918 1.1021 0.1369 -0.08 0.07 0.15 0.19 0.02 -0.03 -0.03 -0.09 -0.09 0.00 -0.05 -0.06 -0.00 -0.10 -0.09 -0.01 -0.08 -0.10 0.01 -0.04 -0.05 0.00 -0.13 -0.11 -0.06 -0.06 -0.14 0.01 -0.11 -0.10 -0.01 -0.06 -0.06 -0.02 -0.03 -0.03 -0.04 -0.04 -0.05 0.08 -0.03 -0.06 -0.04 -0.01 0.01 -0.03 0.04 0.03 -0.02 0.03 0.06 0.10 0.01 -0.01 -0.08 -0.02 -0.02 0.05 0.04 0.05 -0.08 0.07 0.06 0.02 0.07 0.08 -0.08 0.13 0.12 0.01 0.14 0.14 -0.04 0.17 0.16 -0.02 -0.16 -0.13 0.04 -0.15 -0.08 -0.01 -0.11 -0.11 -0.07 -0.09 -0.18 -0.09 -0.03 -0.13 -0.06 -0.06 -0.14 0.04 -0.10 -0.08 0.01 -0.14 -0.12 0.11 -0.06 -0.11 -0.09 -0.01 0.02 -0.12 -0.04 -0.05 -0.04 -0.02 -0.02 -0.10 0.02 0.02 0.07 0.07 0.09 -0.11 0.04 0.03 0.06 0.05 0.06 -0.12 0.16 0.14 0.05 0.17 0.17 -0.04 0.22 0.21 -0.08 -0.14 0.21 -0.02 0.05 -0.19 0.05 0.12 0.10 -0.01 -0.05 -0.10 0.01 0.05 -0.03 0.01 0.04 -0.07 -0.00 0.02 -0.06 -0.01 0.02 -0.07 0.03 0.05 -0.09 0.04 0.13 0.01 0.01 0.01 -0.04 0.03 0.03 0.03 0.05 0.08 0.11 -0.01 0.04 -0.12 -0.02 -0.03 0.03 0.03 -0.01 0.02 -0.05 -0.06 0.07 -0.02 0.02 -0.09 0.06 0.10 0.21 -0.05 -0.04 0.00 0.02 -0.14 0.00 0.03 0.07 0.03 0.02 -0.19 -0.01 0.02 0.02 0.01 0.02 -0.11 -0.01 -0.00 0.03 -0.07 -0.04 0.02 -0.06 -0.01 -0.00 -0.09 0.03 0.07 -0.11 0.01 0.07 -0.09 0.04 0.03 -0.10 0.05 0.18 -0.02 0.04 0.15 0.00 0.01 0.08 -0.18 -0.02 -0.05 0.08 0.07 0.08 0.27 0.07 0.18 0.22 0.06 0.05 0.22 -0.06 -0.06 0.03 0.02 -0.20 -0.00 0.03 0.17 0.04 0.02 -0.30 -0.03 0.02 0.08 0.02 0.02 -0.16 -0.02 0.04 0.05 -0.08 0.09 0.04 -0.10 -0.08 -0.03 0.10 0.01 -0.07 0.01 -0.01 -0.09 0.02 -0.01 -0.06 0.08 0.00 -0.04 0.06 0.02 0.01 0.09 -0.04 -0.09 0.14 -0.03 -0.06 0.05 -0.01 -0.07 0.02 -0.04 -0.02 0.04 -0.08 -0.01 0.10 0.02 -0.03 0.03 0.00 -0.02 0.03 -0.03 0.00 -0.01 0.03 0.02 -0.03 0.05 0.01 -0.04 -0.13 0.04 0.18 0.06 0.04 -0.07 0.02 -0.10 -0.04 -0.06 0.14 -0.03 0.04 -0.06 -0.10 -0.05 0.18 -0.08 -0.00 0.08 -0.12 0.02 0.02 0.10 0.03 0.03 0.05 0.03 0.02 0.12 -0.05 -0.10 0.15 -0.04 -0.13 0.13 -0.06 -0.05 0.17 0.01 -0.01 0.04 -0.03 -0.10 0.04 0.02 -0.04 0.04 -0.01 -0.03 0.05 -0.17 -0.01 0.22 -0.12 0.11 0.19 -0.14 0.06 0.19 0.08 0.07 -0.13 0.05 -0.20 -0.03 -0.10 0.22 -0.00 0.07 -0.14 -0.13 -0.08 0.29 -0.10 0.01 0.11 -0.16 -0.02 0.02 0.00 0.08 -0.01 -0.06 -0.03 0.03 0.08 -0.00 0.12 0.18 -0.00 -0.00 0.05 -0.01 -0.05 -0.04 -0.01 -0.04 -0.02 -0.06 -0.17 -0.05 0.03 0.01 -0.15 0.02 0.01 0.05 -0.01 0.06 0.12 -0.02 0.06 0.09 -0.02 0.05 0.08 0.02 -0.04 -0.02 -0.02 -0.03 -0.01 -0.01 0.04 0.04 -0.00 -0.01 -0.01 0.03 -0.02 -0.03 -0.03 0.04 0.06 0.02 -0.00 -0.02 0.05 0.15 0.03 -0.08 -0.11 -0.03 0.06 0.11 -0.05 -0.07 -0.16 -0.10 -0.00 -0.05 -0.11 -0.07 -0.18 -0.07 -0.09 -0.22 0.03 -0.08 -0.21 -0.13 0.03 0.01 -0.17 0.04 0.10 -0.14 0.03 -0.04 -0.22 0.07 0.03 0.06 0.02 -0.03 0.01 0.03 -0.06 -0.02 -0.03 -0.03 -0.01 0.00 0.04 0.10 -0.08 0.05 0.05 -0.00 0.02 0.01 0.03 0.02 -0.03 0.10 0.27 0.08 -0.14 -0.20 -0.02 0.12 0.20 -0.05 -0.12 -0.28 -0.15 0.01 -0.08 -0.17 -0.03 0.01 0.02 -0.03 -0.01 0.03 0.05 -0.08 -0.08 -0.04 0.13 0.22 0.00 0.02 0.04 -0.02 0.00 -0.02 -0.01 0.02 -0.04 -0.09 -0.05 -0.03 0.01 0.03 -0.07 0.05 -0.08 -0.02 -0.01 0.05 0.12 0.02 -0.00 0.06 0.04 -0.05 -0.04 -0.01 0.01 -0.04 -0.02 0.01 -0.03 0.02 -0.00 0.04 -0.02 0.01 -0.01 -0.02 0.00 -0.01 0.03 -0.06 -0.12 -0.02 0.00 0.01 0.06 -0.16 -0.00 0.01 0.17 0.03 0.07 -0.16 -0.05 0.01 0.19 -0.01 0.05 0.02 -0.05 -0.12 -0.08 -0.01 -0.09 -0.08 0.02 -0.12 -0.04 -0.09 0.00 0.03 -0.06 0.03 0.07 -0.07 -0.00 0.01 -0.12 0.08 -0.14 0.04 0.06 -0.10 -0.06 -0.01 0.01 -0.04 -0.02 0.02 -0.04 -0.03 -0.04 -0.28 0.14 -0.18 -0.12 -0.02 0.03 -0.03 -0.03 -0.00 0.03 0.09 -0.30 0.01 -0.01 0.28 0.05 0.10 -0.29 -0.08 -0.01 0.33 -0.02 0.06 0.03 -0.09 -0.06 0.01 0.02 -0.07 0.01 0.02 0.09 -0.02 0.06 -0.03 -0.11 0.01 0.01 -0.03 0.01 -0.04 0.01 -0.02 -0.03 0.03 -0.05 -0.08 0.02 -0.01 -0.06 0.01 -0.01 0.04 0.00 0.02 0.00 -0.10 0.01 0.04 -0.13 0.01 0.08 -0.09 0.06 -0.03 0.03 -0.04 -0.03 0.03 -0.04 0.05 -0.13 -0.02 -0.04 0.02 -0.02 -0.05 0.02 -0.02 0.13 -0.09 0.13 -0.05 0.02 -0.00 0.09 0.01 -0.01 0.02 -0.12 -0.04 0.12 0.21 -0.03 0.03 0.07 -0.06 0.09 0.26 -0.05 -0.09 0.01 0.01 -0.09 0.02 -0.01 -0.09 0.02 -0.03 -0.08 -0.02 0.01 -0.04 0.01 -0.01 -0.09 0.03 -0.02 0.03 0.01 0.01 0.05 0.05 0.02 -0.04 0.04 -0.04 -0.03 0.03 -0.04 0.14 -0.09 0.14 0.17 -0.06 0.14 0.12 -0.14 0.16 -0.06 0.00 0.02 0.12 -0.01 0.00 -0.02 -0.23 -0.04 0.16 0.34 -0.03 0.01 0.10 -0.08 0.10 0.43 -0.06 -0.03 -0.01 0.04 -0.02 -0.04 0.09 -0.00 -0.05 -0.06 0.01 0.07 0.09 0.04 -0.09 -0.12 0.01 0.01 -0.05 0.03 0.04 -0.12 -0.01 0.18 -0.01 -0.04 -0.07 0.12 0.09 -0.10 -0.13 0.02 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.02 0.03 0.04 0.04 -0.13 0.02 0.03 -0.10 0.00 0.04 0.03 0.01 0.02 -0.04 0.02 0.01 -0.05 -0.08 0.08 0.16 0.00 0.00 -0.01 0.02 0.05 0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.07 -0.02 0.00 -0.08 -0.03 -0.05 0.15 0.06 0.05 0.22 -0.12 -0.04 0.28 0.03 -0.06 -0.10 0.19 -0.01 -0.20 0.10 -0.07 0.01 0.19 0.20 -0.06 -0.09 0.09 -0.17 -0.21 0.04 0.04 -0.15 0.01 0.03 -0.09 -0.11 0.02 0.27 -0.10 0.22 0.17 -0.08 0.06 0.15 -0.02 -0.02 0.07 0.03 0.10 0.03 -0.03 -0.01 0.01 0.03 -0.00 -0.01 -0.03 -0.12 -0.04 0.00 -0.13 -0.05 -0.10 0.02 0.01 0.16 -0.10 0.03 -0.00 0.13 0.13 -0.06 0.05 0.03 -0.03 0.03 -0.02 -0.01 -0.01 0.00 -0.03 -0.08 -0.08 -0.04 0.15 0.04 0.08 -0.08 0.14 -0.05 0.16 0.05 -0.04 0.05 0.00 -0.01 0.02 -0.01 0.03 0.04 0.02 -0.01 -0.09 -0.07 -0.04 -0.06 -0.10 -0.01 -0.03 -0.02 -0.03 -0.03 -0.07 0.02 -0.06 -0.06 0.12 -0.04 -0.12 0.01 -0.03 -0.06 -0.02 -0.04 -0.02 -0.00 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.03 0.01 -0.01 0.05 0.01 -0.04 0.18 0.13 -0.08 0.20 -0.05 -0.05 0.17 0.06 0.09 -0.04 0.23 0.13 -0.19 0.12 0.08 -0.05 0.18 -0.09 0.21 -0.02 -0.05 0.21 0.09 0.00 -0.12 -0.07 -0.05 -0.07 -0.10 0.15 0.05 -0.31 0.21 -0.23 -0.13 0.09 -0.02 -0.07 0.01 -0.01 -0.03 -0.03 -0.06 -0.02 0.01 -0.01 -0.01 -0.03 0.01 0.00 0.01 0.06 0.02 -0.01 0.09 0.03 0.01 -0.00 -0.01 0.02 0.00 -0.01 -0.00 0.01 0.00 -0.03 0.10 0.10 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.02 0.02 -0.01 -0.01 0.02 -0.00 0.01 -0.04 -0.09 0.01 -0.02 -0.04 -0.00 -0.01 0.02 -0.00 -0.01 0.01 0.01 -0.06 -0.08 -0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.02 0.03 0.06 -0.01 -0.01 0.03 -0.04 -0.06 -0.06 0.05 -0.04 -0.04 -0.04 -0.01 0.00 0.05 0.02 0.03 0.00 0.04 0.05 -0.03 -0.03 0.00 0.03 -0.01 0.00 -0.02 0.03 -0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.04 0.02 -0.02 -0.02 0.04 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.17 -0.04 0.57 -0.46 0.35 0.04 0.16 -0.18 -0.31 -0.01 -0.01 0.03 -0.07 -0.08 -0.09 0.10 -0.05 -0.06 -0.08 0.00 0.02 0.09 0.05 0.06 -0.00 0.09 0.10 -0.20 0.25 -0.09 -0.07 -0.04 -0.14 0.05 -0.04 -0.05 0.12 -0.00 -0.05 0.04 -0.01 0.00 0.02 -0.03 0.01 -0.06 -0.10 0.02 0.08 0.04 0.02 0.06 -0.06 0.07 0.05 -0.04 -0.01 0.08 0.01 -0.01 0.07 0.06 0.02 0.04 0.02 -0.02 -0.06 -0.10 0.02 -0.11 -0.11 0.06 0.09 0.09 0.03 -0.12 -0.10 0.13 -0.08 -0.12 0.11 -0.02 0.06 -0.01 -0.11 -0.14 0.23 0.11 0.08 0.02 0.10 0.06 0.03 0.11 -0.01 0.01 0.10 -0.02 0.01 0.11 -0.08 -0.00 0.16 0.12 0.01 0.00 0.07 -0.02 0.14 -0.05 0.06 0.07 -0.04 0.09 0.06 -0.11 0.06 0.07 -0.05 0.10 0.05 -0.06 -0.00 0.05 -0.05 -0.02 -0.03 -0.07 -0.07 -0.11 -0.09 -0.01 0.01 0.02 0.14 -0.18 0.15 -0.02 0.04 0.04 -0.14 -0.11 -0.14 0.27 0.12 0.11 0.04 0.11 0.09 0.03 0.11 -0.04 0.00 0.09 -0.06 -0.00 0.10 -0.17 -0.02 0.06 -0.03 -0.08 0.07 0.02 -0.04 0.03 0.02 -0.06 -0.08 0.06 0.05 -0.02 0.01 -0.07 -0.00 0.02 -0.03 -0.00 0.01 0.01 0.02 0.05 -0.03 -0.02 0.01 -0.01 0.00 0.02 -0.07 -0.04 0.02 -0.02 -0.02 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.05 -0.03 -0.03 -0.00 -0.03 -0.04 0.12 -0.03 -0.03 0.10 0.07 -0.00 0.10 -0.06 -0.07 0.20 -0.03 -0.02 -0.00 -0.04 -0.03 -0.01 -0.03 0.01 -0.01 -0.04 -0.00 -0.01 -0.03 0.02 -0.01 -0.06 -0.03 -0.02 0.14 0.05 -0.07 -0.03 0.18 0.02 -0.02 0.02 -0.03 -0.06 -0.02 -0.00 -0.01 0.01 0.04 0.00 0.02 -0.07 0.01 0.04 -0.07 0.02 0.03 -0.07 0.01 0.01 0.01 -0.11 0.01 -0.26 0.53 -0.14 0.14 -0.12 0.10 0.49 -0.08 -0.09 0.25 -0.03 -0.03 -0.00 -0.05 -0.04 -0.01 -0.02 0.03 -0.01 -0.04 0.00 -0.01 -0.03 0.05 -0.01 0.02 0.03 0.01 -0.11 0.03 -0.03 -0.08 0.08 0.25 0.05 0.09 0.11 0.05 -0.18 -0.14 0.00 -0.06 -0.05 0.03 0.02 -0.00 0.08 -0.06 -0.06 -0.17 -0.10 0.00 0.01 0.04 -0.00 0.03 -0.03 -0.02 0.02 -0.01 -0.05 -0.02 0.03 0.06 0.04 0.02 0.01 0.03 0.03 -0.00 0.03 -0.00 -0.06 0.02 0.01 0.02 0.02 0.01 0.02 0.01 -0.03 -0.12 0.02 -0.00 0.03 -0.01 0.00 -0.04 0.06 0.01 -0.03 -0.02 -0.01 0.01 0.06 -0.00 0.03 0.01 -0.02 0.04 -0.02 -0.18 -0.10 0.27 -0.08 -0.09 0.04 0.10 0.02 -0.19 -0.17 -0.05 -0.23 -0.13 0.01 -0.19 -0.02 0.09 0.06 0.23 -0.10 -0.00 0.00 0.02 0.04 0.03 -0.00 0.02 0.03 -0.02 -0.04 0.05 -0.40 0.15 -0.29 -0.13 -0.05 0.07 -0.01 0.01 -0.01 0.05 -0.04 0.01 -0.07 0.11 0.02 -0.04 -0.06 -0.01 0.02 0.09 0.01 0.05 0.01 -0.03 0.08 -0.05 0.05 0.04 -0.04 -0.02 -0.00 0.01 -0.01 -0.05 0.01 0.07 0.05 -0.00 0.03 0.03 0.02 -0.01 0.03 -0.00 -0.03 0.04 0.04 -0.04 0.03 0.07 0.01 0.00 -0.02 -0.01 0.01 0.01 0.02 -0.01 0.01 -0.04 -0.09 -0.00 -0.01 -0.03 -0.01 -0.04 0.05 0.00 -0.03 0.02 0.01 -0.02 -0.08 0.02 0.00 -0.05 0.02 -0.00 -0.04 0.01 0.03 0.13 0.05 0.03 -0.12 -0.04 -0.00 -0.06 0.04 -0.01 -0.05 -0.05 0.00 -0.00 0.04 -0.01 0.01 -0.01 -0.01 0.03 0.05 -0.03 0.00 0.03 -0.05 0.05 0.05 -0.07 0.02 0.08 0.04 -0.01 0.06 0.03 0.01 0.09 -0.03 -0.01 -0.04 -0.04 0.01 -0.02 0.01 0.02 -0.02 -0.06 0.11 -0.01 -0.04 0.05 -0.22 -0.00 -0.21 0.49 -0.05 0.18 -0.20 0.15 0.55 0.07 0.05 -0.19 -0.07 0.01 -0.09 0.08 -0.01 -0.06 -0.09 0.02 0.01 0.07 -0.02 0.04 -0.02 -0.01 0.07 -0.00 0.05 0.02 -0.06 -0.03 -0.00 0.05 0.03 -0.06 -0.08 0.02 0.00 -0.02 0.00 -0.08 0.03 -0.02 -0.02 0.01 -0.04 0.05 0.16 0.00 -0.02 -0.00 -0.02 -0.01 0.00 0.04 -0.07 -0.04 0.03 -0.01 -0.02 0.03 0.07 0.03 0.01 -0.00 0.03 -0.02 0.02 -0.00 -0.06 0.10 -0.04 -0.03 0.09 0.03 -0.02 0.01 0.04 -0.01 -0.03 0.09 -0.02 -0.00 0.07 0.01 -0.09 0.00 -0.04 0.07 -0.10 -0.03 0.05 0.02 -0.01 0.00 -0.09 0.02 -0.02 -0.03 0.05 -0.04 -0.01 -0.22 -0.09 0.50 -0.03 -0.09 0.09 0.28 0.12 0.04 0.02 -0.13 -0.15 -0.05 0.02 0.08 -0.05 0.10 -0.03 0.04 -0.08 0.00 0.08 -0.06 0.03 -0.03 0.03 -0.03 -0.09 0.18 0.22 0.00 0.18 -0.09 0.07 -0.01 0.17 -0.14 -0.16 0.10 0.05 -0.18 0.03 -0.07 0.09 -0.15 -0.04 0.07 0.07 -0.01 -0.02 -0.13 0.03 -0.05 -0.02 0.09 -0.08 -0.00 -0.04 -0.08 0.04 -0.02 0.09 -0.00 0.01 0.02 0.03 0.02 -0.00 -0.01 -0.01 0.00 -0.03 0.00 0.01 -0.05 -0.01 0.04 -0.00 -0.01 0.00 -0.09 0.02 -0.02 0.00 0.00 0.00 0.01 0.00 -0.01 0.02 0.00 -0.02 0.01 0.01 0.00 0.01 0.08 -0.20 -0.15 -0.10 0.32 0.04 0.02 -0.02 -0.09 -0.03 0.10 -0.01 0.06 -0.14 -0.01 0.02 -0.00 -0.03 0.06 -0.10 0.04 0.03 -0.02 0.07 0.02 -0.01 0.03 0.00 0.00 0.07 -0.01 0.01 0.05 -0.03 0.01 0.05 0.05 -0.02 -0.07 0.00 0.01 0.03 -0.08 0.00 -0.07 0.02 -0.14 -0.22 0.05 0.00 -0.04 -0.00 0.04 0.02 0.01 0.01 0.01 -0.00 -0.01 0.05 0.13 -0.35 -0.22 -0.19 0.55 -0.04 0.01 -0.05 0.04 -0.01 0.00 -0.03 0.05 0.04 0.00 0.09 -0.19 0.03 0.04 -0.02 0.09 0.03 -0.01 0.01 0.00 0.01 0.07 -0.02 0.02 0.05 -0.06 0.03 -0.05 -0.10 -0.00 0.09 0.02 0.00 0.04 -0.01 -0.05 -0.01 0.04 -0.00 -0.02 -0.02 -0.05 -0.05 0.00 0.01 -0.08 -0.01 0.07 0.08 -0.01 -0.01 -0.19 0.00 0.02 -0.03 0.02 -0.03 -0.00 0.01 -0.03 0.03 0.02 0.00 0.03 0.00 -0.02 -0.14 -0.08 0.21 -0.05 0.05 -0.07 0.06 0.05 0.03 -0.06 0.05 -0.09 -0.09 -0.01 0.05 0.01 0.02 0.02 -0.06 0.06 -0.11 0.09 0.05 0.02 0.07 0.04 0.03 0.09 0.01 0.00 0.07 -0.01 0.01 0.09 -0.05 -0.00 -0.01 -0.16 -0.10 0.33 -0.05 -0.04 0.05 0.16 0.12 -0.21 -0.06 -0.08 -0.29 -0.00 0.03 -0.19 0.06 0.11 -0.11 0.01 -0.07 -0.04 0.08 0.02 -0.19 -0.13 0.37 -0.04 0.08 -0.14 -0.01 0.00 0.03 0.03 0.06 0.02 0.00 0.03 0.04 -0.03 0.10 -0.19 0.10 0.07 0.04 0.07 0.06 0.03 0.10 -0.01 0.00 0.06 -0.03 -0.01 0.09 -0.11 -0.02 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.05 -0.02 0.04 -0.05 -0.03 -0.00 -0.01 0.04 0.03 0.01 0.03 -0.00 0.00 0.01 -0.02 0.04 0.06 0.00 0.07 0.06 -0.06 -0.01 -0.02 0.02 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.04 -0.01 0.03 -0.00 0.01 -0.02 0.01 0.00 -0.01 0.02 -0.03 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.14 0.02 -0.03 -0.01 -0.01 0.01 0.03 -0.05 -0.01 0.04 -0.05 0.00 0.04 0.00 0.01 0.04 -0.03 0.01 0.05 0.03 0.02 -0.22 -0.27 -0.02 0.51 0.03 -0.10 -0.10 0.49 0.14 0.10 0.12 -0.13 0.01 0.11 -0.04 0.13 -0.01 -0.07 0.01 -0.02 0.03 -0.02 -0.05 -0.00 -0.00 0.02 -0.03 0.01 -0.00 -0.01 -0.24 -0.01 -0.14 -0.10 -0.06 -0.04 -0.16 0.16 0.01 -0.02 -0.02 0.02 0.04 -0.07 -0.01 0.05 -0.08 -0.01 0.03 0.02 0.01 0.04 -0.04 0.01 0.05 0.08 0.03 -0.07 -0.04 -0.03 0.04 0.01 0.01 0.00 -0.01 0.04 0.21 0.03 0.01 0.07 -0.02 0.04 0.03 0.03 0.01 -0.02 0.02 0.01 0.19 0.05 -0.01 -0.00 0.07 -0.05 0.15 -0.08 0.00 0.08 0.01 0.05 -0.00 0.03 0.02 0.01 0.04 0.04 -0.07 0.01 0.02 -0.03 0.03 -0.02 -0.05 -0.06 -0.01 -0.05 0.01 -0.03 -0.07 0.01 -0.00 0.02 0.02 -0.03 -0.07 0.01 -0.02 -0.09 -0.12 -0.01 -0.09 -0.10 -0.03 -0.09 -0.03 0.00 -0.09 -0.00 -0.01 -0.10 0.09 0.01 0.34 0.21 -0.10 0.07 0.09 -0.03 0.31 -0.13 0.09 -0.02 0.03 -0.09 -0.01 0.15 -0.04 -0.02 0.06 -0.10 0.33 -0.05 0.08 0.16 -0.22 -0.12 -0.09 0.03 0.04 -0.02 0.04 -0.03 0.04 0.05 -0.06 -0.00 -0.04 -0.03 0.03 0.02 -0.05 -0.07 0.01 -0.02 -0.10 -0.15 -0.02 -0.11 -0.14 -0.02 -0.08 -0.03 -0.00 -0.07 0.03 0.00 -0.09 0.23 0.03 -0.02 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.02 0.03 -0.06 0.03 0.03 0.00 0.06 0.01 0.01 0.02 0.01 0.01 -0.01 0.01 0.01 0.02 -0.00 0.04 -0.02 0.04 -0.02 0.05 0.03 -0.05 0.04 -0.00 -0.05 -0.02 0.01 -0.04 -0.00 0.00 0.02 -0.03 0.00 0.01 -0.02 -0.01 0.07 -0.05 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.11 -0.09 0.04 -0.02 -0.01 0.01 -0.06 0.13 -0.04 -0.01 0.13 -0.04 -0.08 0.02 -0.02 -0.02 0.05 -0.01 -0.07 -0.09 -0.01 -0.23 -0.30 -0.01 0.44 -0.04 -0.05 -0.12 0.39 0.13 0.01 0.04 -0.07 -0.04 0.07 -0.01 0.02 0.02 -0.02 0.06 -0.03 0.07 0.04 -0.04 0.03 -0.00 0.02 -0.04 0.01 0.01 -0.01 0.23 -0.05 0.15 0.04 -0.01 0.04 0.15 -0.22 -0.03 -0.03 -0.02 0.03 -0.09 0.20 -0.05 0.01 0.19 -0.04 -0.10 -0.00 -0.01 0.01 0.05 0.01 -0.09 -0.24 -0.01 -0.00 -0.01 -0.01 -0.00 0.05 0.01 -0.05 -0.02 0.07 -0.06 -0.01 0.06 0.01 -0.06 -0.10 0.02 0.00 -0.05 -0.02 -0.01 0.02 0.06 0.13 -0.04 0.18 0.03 -0.10 -0.03 -0.01 -0.05 -0.01 -0.06 -0.03 -0.01 -0.08 -0.01 -0.04 -0.07 0.03 -0.05 -0.03 0.08 -0.03 -0.01 0.05 0.00 0.01 0.02 -0.02 0.01 0.01 -0.02 0.01 0.04 -0.01 -0.11 0.02 -0.00 0.04 -0.04 0.02 0.06 0.02 0.00 0.06 0.02 0.02 0.02 0.00 0.00 0.02 0.00 0.01 -0.06 -0.01 0.25 0.39 0.04 -0.23 0.23 -0.11 0.17 -0.10 -0.03 0.22 0.12 -0.01 0.32 0.10 -0.12 0.19 -0.08 -0.27 -0.03 0.06 -0.10 -0.04 -0.02 -0.02 -0.06 -0.04 0.11 -0.03 -0.02 0.06 0.03 -0.08 0.03 -0.05 -0.12 0.01 0.01 -0.14 -0.03 0.02 0.07 -0.13 0.03 0.09 0.03 0.00 0.09 0.03 0.03 0.02 -0.00 -0.01 0.03 -0.01 0.01 -0.14 -0.03 -0.03 -0.05 -0.03 -0.01 0.12 0.05 0.01 0.01 -0.01 0.00 0.00 -0.02 0.00 -0.02 -0.02 0.01 -0.06 -0.02 -0.02 -0.01 -0.02 -0.00 -0.16 -0.03 0.21 -0.15 0.12 0.03 -0.00 -0.02 0.00 0.01 -0.01 0.00 0.03 0.00 0.01 0.03 -0.00 -0.03 0.02 -0.02 -0.05 0.02 -0.00 -0.00 0.00 -0.00 -0.06 0.04 0.00 -0.03 0.06 0.01 0.02 0.03 -0.01 -0.05 0.06 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.17 -0.38 -0.10 0.24 -0.25 0.04 -0.10 0.03 -0.04 0.28 0.03 0.25 0.25 -0.35 0.09 0.29 -0.21 0.19 0.06 0.01 -0.01 0.03 -0.02 -0.05 -0.02 0.00 -0.03 -0.06 0.02 -0.00 0.03 0.03 -0.01 0.02 0.02 -0.01 0.02 0.02 -0.01 -0.05 0.06 0.02 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.01 0.02 0.01 0.01 -0.00 -0.01 -0.01 0.03 0.02 0.02 -0.06 -0.06 -0.03 0.02 -0.00 -0.03 -0.02 0.01 -0.03 -0.01 -0.01 0.03 -0.18 0.05 0.00 0.01 0.00 -0.00 0.18 -0.06 -0.08 -0.00 -0.00 0.02 0.01 0.05 0.03 0.02 0.08 0.06 -0.03 -0.06 0.14 -0.02 -0.04 0.09 0.01 0.01 -0.05 0.00 -0.01 0.03 -0.00 -0.03 0.07 0.02 0.06 -0.04 0.04 0.02 -0.07 -0.03 -0.01 -0.05 0.02 -0.01 -0.05 -0.04 0.00 -0.01 0.02 -0.01 -0.01 -0.02 0.02 0.02 -0.28 -0.04 0.13 -0.15 0.04 -0.01 -0.28 0.17 -0.10 0.02 0.03 -0.00 -0.00 -0.01 -0.00 0.03 -0.01 0.01 0.45 -0.01 0.04 0.20 -0.21 -0.31 -0.05 -0.09 0.21 -0.03 -0.05 0.12 0.05 0.09 -0.08 -0.04 -0.02 -0.06 0.05 0.09 -0.10 0.08 0.08 -0.21 -0.06 -0.00 -0.08 0.05 -0.00 -0.06 -0.07 0.01 0.00 0.05 -0.02 0.02 -0.02 0.04 0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 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 0.01 -0.00 -0.06 -0.08 -0.00 0.12 -0.02 -0.01 -0.03 0.10 0.04 -0.19 -0.26 0.46 0.55 0.08 -0.09 -0.38 0.19 -0.39 -0.02 0.01 -0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.01 -0.00 0.01 0.02 -0.00 0.00 0.01 0.00 0.01 0.01 -0.02 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 0.01 -0.00 0.02 0.00 0.00 -0.01 0.01 -0.00 0.03 -0.01 -0.02 0.23 0.05 -0.01 0.05 -0.08 -0.01 -0.01 -0.03 -0.04 -0.01 -0.01 -0.03 -0.18 0.10 -0.02 0.02 -0.03 -0.06 -0.09 0.05 0.07 0.08 -0.03 -0.04 0.02 -0.01 -0.05 0.04 -0.02 -0.07 -0.02 -0.04 0.05 -0.03 -0.03 0.04 -0.01 -0.01 0.06 -0.01 0.00 0.03 0.00 -0.01 0.03 -0.01 0.03 0.00 0.02 0.03 -0.03 -0.00 -0.02 0.06 -0.06 -0.03 0.04 0.00 -0.03 0.01 -0.06 0.01 -0.01 -0.03 0.02 -0.02 -0.34 -0.07 0.13 0.02 0.12 -0.14 -0.30 0.38 -0.02 0.07 0.05 -0.14 -0.06 -0.02 -0.04 0.11 -0.10 -0.02 -0.33 0.04 -0.07 -0.11 0.18 0.30 -0.02 -0.06 0.07 -0.05 -0.03 0.06 -0.08 -0.03 0.02 0.04 0.10 0.01 -0.04 0.06 0.05 0.04 0.06 -0.11 0.02 -0.03 0.07 -0.10 -0.07 0.05 0.04 -0.06 -0.01 -0.08 0.02 -0.02 -0.02 0.05 -0.04 -0.06 -0.01 -0.02 0.01 0.02 0.01 0.18 -0.00 0.04 -0.09 -0.06 0.07 0.06 -0.01 -0.03 0.04 0.03 -0.00 0.03 0.03 0.01 0.02 -0.03 -0.00 -0.02 0.02 0.03 0.05 0.09 0.02 0.02 -0.07 -0.01 0.08 -0.10 -0.04 0.17 -0.05 -0.03 0.02 0.02 0.02 0.03 -0.01 0.02 0.01 -0.06 0.02 0.01 -0.04 -0.00 0.01 0.00 0.00 -0.14 0.13 -0.07 0.02 -0.03 -0.01 -0.04 0.01 0.04 -0.05 0.06 -0.01 -0.05 0.06 0.02 -0.06 0.01 -0.03 -0.09 -0.05 -0.03 0.05 0.01 -0.01 -0.07 -0.05 0.06 0.03 -0.12 -0.07 -0.03 -0.02 0.03 -0.03 -0.01 0.03 -0.03 0.06 0.06 -0.09 0.07 -0.05 0.05 0.23 0.12 0.01 0.03 0.03 0.07 -0.01 0.03 -0.45 -0.09 -0.10 -0.23 0.12 -0.08 -0.14 0.49 -0.10 0.02 -0.03 -0.03 -0.06 0.04 0.02 -0.10 0.11 0.02 0.00 0.13 0.01 -0.05 0.01 -0.02 -0.09 -0.13 -0.05 0.23 0.09 0.11 0.02 -0.20 -0.07 0.06 -0.01 0.04 0.01 -0.01 0.02 -0.00 0.01 0.01 -0.02 0.01 -0.04 -0.06 0.01 -0.02 0.07 -0.06 -0.07 0.09 -0.05 0.06 0.04 0.02 0.01 -0.00 -0.02 0.00 0.03 -0.06 -0.02 0.06 -0.03 -0.00 -0.20 -0.01 -0.06 -0.11 0.13 0.02 0.00 -0.04 0.01 -0.06 0.18 0.06 -0.21 -0.02 -0.07 -0.05 0.03 -0.02 -0.25 0.16 -0.02 -0.01 0.01 0.02 -0.02 0.02 0.00 -0.01 0.02 0.01 -0.02 0.02 -0.01 -0.03 -0.03 -0.01 0.09 -0.07 -0.19 0.13 -0.09 -0.03 0.11 -0.09 -0.02 0.13 0.05 0.15 0.12 -0.20 0.04 0.14 -0.07 0.12 0.04 0.01 0.01 0.04 0.05 -0.01 -0.26 0.09 -0.04 -0.22 0.13 -0.01 -0.17 -0.05 -0.03 -0.09 0.02 -0.03 -0.05 0.17 -0.04 -0.26 0.15 -0.04 -0.02 0.04 0.02 -0.03 0.05 0.01 0.00 0.06 0.01 -0.02 0.03 -0.00 -0.03 -0.08 -0.02 0.06 -0.01 0.02 -0.04 0.08 0.02 0.07 -0.03 -0.04 -0.02 -0.04 0.02 -0.05 0.06 0.13 -0.04 -0.11 -0.07 -0.07 -0.14 -0.07 0.08 0.12 -0.07 -0.06 -0.14 -0.08 -0.00 0.01 0.10 -0.03 0.03 0.11 0.00 0.03 0.08 0.04 0.01 0.02 0.00 -0.12 -0.04 -0.09 -0.07 -0.05 0.01 0.00 -0.06 -0.02 0.05 0.01 0.07 0.01 0.03 -0.00 0.04 -0.01 0.04 0.05 0.03 -0.03 -0.06 -0.07 0.03 0.08 -0.05 -0.04 0.08 0.00 0.02 -0.07 -0.01 -0.01 -0.00 0.02 0.19 0.27 -0.02 0.05 0.25 -0.29 0.18 0.10 0.15 -0.09 -0.20 -0.08 -0.07 -0.14 -0.08 -0.10 -0.08 -0.06 -0.07 -0.09 0.12 0.01 0.07 0.11 0.07 -0.21 -0.08 -0.20 -0.05 -0.08 -0.05 0.01 -0.00 -0.03 0.05 -0.01 -0.00 0.11 -0.02 0.06 0.08 0.04 -0.06 -0.13 -0.10 0.07 0.18 -0.05 -0.06 0.17 0.03 0.05 -0.16 0.01 -0.02 -0.01 0.05 0.01 -0.00 0.00 -0.01 0.02 0.00 0.03 -0.01 -0.00 -0.03 -0.02 0.01 -0.01 0.02 0.03 -0.01 -0.02 -0.02 -0.02 -0.03 -0.02 0.03 0.02 -0.02 -0.02 -0.03 -0.01 0.01 0.01 0.02 -0.01 0.00 0.03 0.01 -0.00 0.02 0.02 -0.00 0.01 0.00 -0.03 -0.01 -0.02 -0.02 -0.01 0.01 -0.00 -0.02 -0.00 0.01 0.00 0.02 0.00 0.01 -0.03 0.03 -0.01 0.01 0.01 0.01 0.01 0.21 0.01 -0.00 -0.20 -0.04 -0.02 -0.19 -0.02 0.02 0.19 0.02 -0.01 0.00 0.00 0.06 0.07 -0.02 0.01 0.05 -0.06 0.06 0.00 0.03 -0.03 -0.05 -0.00 -0.02 -0.04 -0.01 -0.03 -0.01 -0.00 -0.00 -0.02 0.03 0.01 0.03 0.01 0.02 -0.05 -0.02 -0.04 -0.01 -0.02 -0.08 -0.00 -0.03 -0.03 0.01 -0.01 -0.03 0.09 0.00 0.02 0.02 0.01 0.01 0.46 0.04 -0.02 -0.43 -0.07 -0.04 -0.42 -0.05 0.05 0.42 0.06 -0.01 0.01 0.01 0.10 0.12 0.07 0.05 0.17 0.08 -0.01 0.00 0.02 0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 0.03 0.01 -0.03 -0.06 -0.03 -0.01 -0.03 0.00 -0.06 0.04 0.01 0.02 -0.01 -0.02 0.00 -0.00 -0.02 0.00 -0.01 -0.03 -0.00 -0.00 -0.00 -0.25 -0.03 -0.09 0.11 -0.28 -0.07 -0.00 -0.01 0.01 0.16 -0.24 -0.04 -0.23 0.04 -0.06 -0.00 -0.01 -0.00 -0.08 -0.20 -0.10 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.08 -0.03 0.03 -0.06 0.05 -0.02 -0.02 -0.02 -0.10 -0.03 0.02 -0.03 0.06 0.00 -0.11 0.08 -0.01 0.06 0.01 -0.00 0.02 -0.03 -0.05 -0.27 -0.01 -0.07 0.15 -0.27 -0.07 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.23 -0.45 -0.24 0.01 0.00 0.02 -0.01 0.01 0.02 0.02 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.02 -0.00 0.02 -0.02 -0.00 0.03 -0.00 -0.13 -0.04 -0.12 0.10 0.10 -0.08 -0.05 0.06 0.02 -0.05 0.06 0.07 -0.00 0.01 0.00 -0.06 0.02 -0.02 0.01 -0.11 0.06 0.04 0.07 -0.05 0.10 -0.00 0.10 0.20 -0.05 0.02 0.09 -0.04 0.06 0.03 0.05 0.02 0.05 0.03 0.14 -0.07 0.01 -0.04 0.02 -0.08 0.00 -0.01 -0.01 -0.03 0.01 -0.05 -0.02 -0.05 -0.03 -0.02 -0.09 0.04 -0.02 -0.10 -0.06 -0.05 -0.02 0.04 -0.06 -0.01 -0.02 0.09 0.04 0.01 0.02 -0.03 -0.06 -0.01 -0.03 -0.00 -0.04 -0.13 0.01 -0.02 0.03 0.01 -0.09 0.00 0.02 0.01 0.07 -0.45 0.03 -0.14 -0.15 0.21 0.37 -0.09 0.13 0.06 0.10 0.02 0.06 0.05 0.03 -0.01 -0.05 -0.09 0.00 0.01 -0.04 -0.03 -0.06 -0.04 -0.11 -0.09 -0.09 -0.15 0.08 -0.10 -0.12 -0.12 -0.15 -0.01 0.09 -0.16 0.02 -0.02 0.19 0.10 0.02 0.00 0.01 -0.01 0.01 0.01 0.05 -0.00 -0.02 -0.06 -0.02 0.01 0.00 -0.17 -0.09 -0.02 -0.11 0.16 -0.03 -0.08 0.08 -0.01 -0.01 0.25 0.03 0.03 -0.10 -0.01 -0.01 -0.02 -0.02 -0.04 -0.04 0.01 0.06 0.02 0.06 0.07 -0.01 -0.01 -0.02 -0.08 -0.02 0.02 -0.06 0.01 0.04 -0.00 -0.00 0.06 -0.06 -0.00 0.02 -0.06 0.06 0.11 -0.03 -0.06 0.02 0.06 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 0.03 0.01 -0.01 0.02 0.33 -0.03 0.05 0.15 -0.02 0.03 0.28 0.09 0.09 -0.29 0.01 0.38 -0.05 0.10 -0.18 -0.32 -0.08 0.03 -0.09 -0.01 0.07 0.03 -0.00 -0.00 -0.12 -0.06 0.03 -0.09 0.07 0.11 -0.02 0.06 0.11 -0.03 0.07 0.11 -0.03 -0.10 -0.04 0.20 -0.02 -0.02 -0.02 0.01 -0.04 -0.02 -0.02 -0.05 -0.01 0.01 -0.05 -0.00 -0.00 0.05 0.02 -0.00 0.00 0.00 0.00 -0.01 0.00 0.08 -0.05 -0.08 0.11 0.08 -0.05 -0.05 -0.02 -0.05 -0.04 0.01 0.02 -0.02 0.01 0.03 -0.03 -0.01 0.02 0.01 0.03 0.01 -0.06 0.01 -0.06 -0.04 0.05 -0.01 -0.02 0.02 0.14 -0.02 0.05 0.25 0.01 0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.23 -0.07 0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.04 -0.03 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.05 0.01 -0.01 -0.06 -0.01 0.10 0.02 0.02 0.10 0.02 -0.02 -0.15 0.00 -0.05 -0.05 -0.01 0.02 -0.03 0.03 -0.04 0.02 0.02 0.04 0.09 0.03 0.05 0.05 0.00 0.04 -0.04 -0.04 -0.19 -0.04 -0.10 -0.06 0.15 0.02 0.02 0.01 0.00 0.04 0.00 -0.02 0.04 0.08 -0.13 -0.20 -0.32 -0.04 0.04 0.04 -0.15 -0.00 -0.04 0.05 -0.01 0.24 -0.04 0.06 0.22 -0.04 -0.03 0.36 0.07 0.07 0.36 0.08 -0.02 -0.20 0.00 0.04 -0.01 0.00 -0.03 0.02 0.00 0.01 0.07 -0.07 0.05 -0.02 0.06 0.06 0.03 -0.07 0.01 0.12 0.04 -0.09 -0.12 -0.09 0.01 -0.06 0.04 -0.01 0.21 0.11 0.02 0.08 -0.07 0.06 -0.08 -0.03 0.01 -0.06 -0.01 -0.05 -0.03 0.10 0.00 -0.15 -0.04 -0.13 -0.08 -0.08 0.01 0.08 0.01 -0.05 0.04 0.04 0.10 0.00 -0.01 -0.07 -0.09 0.02 0.06 0.06 0.04 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.04 -0.00 -0.01 -0.04 -0.01 -0.01 0.05 0.01 -0.03 -0.14 -0.11 0.04 -0.19 0.25 -0.01 -0.11 -0.07 -0.03 0.15 0.07 -0.05 0.22 0.12 -0.03 0.24 0.14 0.00 0.11 -0.10 0.01 0.07 -0.03 0.07 -0.31 -0.02 -0.25 -0.06 -0.13 -0.06 -0.05 -0.05 -0.18 -0.24 -0.01 -0.03 -0.03 -0.08 0.10 0.12 0.08 -0.02 -0.08 -0.01 -0.01 -0.06 -0.01 -0.01 -0.13 -0.02 -0.00 -0.13 -0.02 -0.01 0.08 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.12 0.27 -0.23 0.04 -0.17 0.17 0.07 -0.05 0.05 0.01 -0.02 -0.00 0.02 0.00 -0.01 0.02 0.01 0.01 0.00 -0.04 -0.02 0.08 0.10 0.04 0.01 -0.20 0.10 -0.16 -0.04 -0.10 -0.12 0.12 -0.08 -0.01 -0.00 0.02 0.01 0.02 -0.01 -0.12 -0.18 -0.02 -0.02 -0.02 0.05 0.00 0.02 -0.05 0.01 0.12 -0.05 -0.01 0.00 -0.01 0.04 -0.02 -0.02 -0.02 -0.04 0.09 0.08 0.08 -0.02 0.01 0.08 0.08 0.13 -0.13 -0.00 0.05 0.04 0.02 0.00 0.04 -0.03 0.04 -0.01 0.04 0.01 -0.04 -0.04 -0.01 -0.03 -0.02 0.01 -0.04 -0.01 0.21 0.14 0.10 0.05 -0.14 0.02 -0.04 -0.00 0.08 0.03 0.03 -0.05 0.08 0.17 -0.05 0.08 0.14 -0.04 0.00 0.02 -0.01 -0.01 0.00 -0.02 0.15 0.13 0.08 0.07 0.11 0.08 0.04 0.29 0.03 -0.06 0.31 0.04 0.13 -0.18 -0.04 -0.01 -0.01 0.03 0.01 0.01 -0.03 -0.01 0.04 -0.04 0.01 -0.02 0.02 0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 0.03 -0.01 0.01 -0.03 0.01 -0.01 -0.01 -0.00 -0.02 0.01 0.01 0.04 0.04 -0.13 -0.05 -0.05 0.12 -0.01 -0.01 -0.00 0.11 0.14 -0.36 -0.11 -0.14 0.38 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.03 0.00 -0.00 -0.02 0.02 -0.00 -0.01 -0.01 -0.02 -0.02 0.03 0.01 0.02 0.01 -0.02 0.03 -0.00 0.00 0.03 -0.01 -0.00 0.01 0.00 0.15 0.16 -0.50 -0.18 -0.20 0.49 -0.01 0.00 -0.01 -0.02 -0.03 -0.00 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.02 0.00 -0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.08 0.07 -0.10 0.04 0.06 0.02 -0.05 0.10 0.06 -0.02 -0.09 -0.01 0.01 0.00 0.11 -0.02 0.02 0.03 -0.01 -0.15 -0.08 0.06 0.07 -0.02 -0.01 -0.07 -0.09 -0.01 -0.14 -0.14 -0.04 0.02 0.21 0.00 0.05 0.02 0.05 0.04 0.03 -0.00 0.11 0.03 0.03 0.00 -0.05 -0.02 0.02 -0.06 -0.07 -0.08 0.02 -0.04 -0.03 0.02 -0.01 0.03 0.02 0.01 0.03 0.04 -0.01 -0.05 -0.03 0.01 -0.06 -0.02 0.01 0.08 -0.00 -0.01 0.06 0.14 -0.03 0.10 -0.12 -0.02 0.08 0.09 -0.01 -0.15 -0.06 -0.00 -0.14 -0.08 -0.01 -0.15 -0.09 0.17 0.02 0.08 0.09 0.06 -0.15 -0.03 0.12 0.01 0.10 0.04 0.01 -0.01 0.03 -0.14 -0.28 -0.42 -0.04 0.02 0.04 -0.19 -0.08 -0.10 0.12 -0.00 -0.13 0.01 -0.01 -0.10 0.03 -0.00 -0.24 -0.06 -0.03 -0.23 -0.06 0.01 0.08 0.01 -0.02 -0.01 -0.01 -0.01 0.02 0.00 -0.05 0.01 -0.02 -0.09 0.03 -0.03 0.12 0.09 0.01 0.25 -0.06 0.01 0.14 -0.07 -0.08 -0.00 -0.01 0.12 -0.03 -0.07 -0.05 -0.01 -0.00 -0.01 0.10 0.08 -0.06 0.07 0.02 -0.02 -0.06 0.01 0.05 -0.03 -0.08 -0.04 0.02 0.04 0.01 0.04 -0.07 0.01 -0.03 0.05 0.08 -0.05 -0.04 0.02 -0.03 -0.06 0.02 -0.08 0.09 -0.03 -0.01 -0.03 0.05 -0.00 -0.02 -0.01 -0.00 0.03 0.03 -0.01 0.04 -0.02 -0.05 -0.05 -0.02 -0.08 -0.03 0.38 -0.14 0.02 0.11 -0.12 0.05 -0.10 -0.16 -0.40 -0.24 -0.21 0.04 -0.01 -0.19 0.17 0.04 -0.03 -0.00 -0.02 -0.03 -0.06 0.05 -0.08 -0.02 0.00 -0.12 0.05 -0.01 0.05 0.01 -0.02 -0.03 -0.14 0.01 -0.02 -0.13 0.00 -0.05 0.14 -0.13 -0.03 0.05 0.04 -0.05 0.05 0.01 0.06 0.14 0.03 0.02 0.15 0.01 -0.05 -0.05 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.12 -0.02 -0.09 0.02 0.04 -0.00 -0.05 0.05 -0.03 0.03 0.00 0.01 0.05 -0.12 0.03 -0.00 -0.04 0.01 0.05 0.03 -0.07 -0.14 0.11 0.01 -0.09 -0.13 0.02 -0.03 -0.17 -0.03 0.16 0.17 0.01 0.01 -0.02 -0.01 -0.01 -0.02 -0.00 0.01 0.04 -0.03 -0.03 0.07 -0.01 -0.03 0.09 0.10 0.17 -0.03 0.04 0.01 -0.05 -0.04 0.00 0.05 0.02 -0.01 0.06 -0.01 0.00 -0.03 0.02 -0.00 -0.03 0.00 0.01 -0.03 0.08 0.02 -0.16 0.06 -0.03 -0.01 0.08 -0.06 0.02 0.02 0.09 0.05 0.02 0.02 0.02 0.03 0.03 0.03 -0.22 -0.18 0.06 -0.07 -0.03 0.22 0.01 -0.03 0.00 -0.01 -0.02 0.01 0.36 0.41 -0.18 0.03 -0.16 -0.07 0.19 0.04 -0.18 0.09 0.08 -0.22 -0.01 -0.03 0.07 -0.03 -0.03 0.07 0.03 -0.03 -0.05 -0.01 -0.02 -0.06 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.06 0.03 -0.01 0.05 0.03 -0.03 -0.07 -0.03 -0.00 -0.06 -0.05 0.06 0.06 0.09 -0.20 0.03 -0.04 0.16 -0.00 -0.04 -0.03 0.03 0.06 -0.03 -0.09 0.01 0.02 -0.06 -0.03 0.04 0.03 -0.05 -0.01 0.02 0.05 -0.06 0.03 0.04 -0.07 -0.05 0.03 -0.04 -0.06 -0.09 0.20 -0.06 -0.07 0.19 -0.03 -0.05 0.01 0.04 0.04 -0.13 0.05 0.03 -0.08 -0.04 0.03 -0.02 0.03 -0.03 0.01 -0.05 -0.03 0.06 0.05 0.03 0.04 0.09 -0.00 0.04 0.08 -0.03 0.12 0.09 -0.07 0.26 0.03 0.03 -0.07 0.03 0.09 -0.02 0.04 -0.15 -0.14 0.09 0.05 0.02 0.06 0.09 -0.12 0.01 0.04 -0.02 0.05 0.03 -0.04 -0.14 -0.13 0.03 -0.08 -0.02 0.01 -0.04 0.06 0.00 0.17 0.19 -0.56 0.05 -0.02 -0.08 0.04 -0.01 -0.05 -0.06 -0.11 0.03 -0.06 -0.11 0.05 0.06 0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 -0.00 0.04 -0.01 -0.02 -0.02 -0.02 -0.02 -0.02 -0.01 0.02 0.01 0.02 -0.03 0.00 -0.01 0.04 -0.00 -0.01 -0.01 0.01 0.04 -0.03 -0.03 0.04 0.07 -0.02 0.03 0.08 0.01 -0.04 -0.03 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.04 -0.02 0.12 -0.01 -0.02 0.04 -0.01 -0.01 0.04 -0.03 -0.05 0.01 0.01 0.01 -0.03 -0.26 -0.02 0.13 0.19 -0.06 0.22 -0.20 0.06 -0.27 0.28 0.02 -0.17 0.04 -0.01 -0.13 0.01 -0.01 0.02 0.02 -0.01 0.04 0.01 -0.01 0.07 0.01 0.02 -0.01 0.01 0.03 -0.00 0.01 -0.05 -0.04 0.03 0.05 -0.02 0.02 0.04 -0.05 0.00 0.01 -0.01 0.02 0.01 -0.02 -0.11 -0.12 0.04 -0.02 0.03 0.02 -0.06 -0.01 0.05 0.04 0.04 -0.11 -0.13 0.00 0.24 0.07 -0.04 0.27 -0.08 0.11 -0.31 0.16 0.09 -0.27 -0.03 -0.04 0.28 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.10 -0.10 0.07 0.00 0.03 -0.04 0.02 -0.02 -0.01 0.16 0.02 -0.02 0.09 -0.05 -0.03 0.00 0.01 -0.03 0.01 0.05 0.02 0.02 -0.02 0.03 -0.05 0.03 0.00 -0.12 -0.03 0.01 0.04 -0.00 0.02 -0.02 -0.07 0.01 0.01 -0.00 0.05 -0.23 0.01 -0.04 0.03 0.06 -0.04 0.01 -0.00 -0.07 0.01 0.02 -0.00 -0.06 0.03 0.04 -0.03 0.06 -0.19 -0.08 0.01 0.17 -0.01 -0.00 -0.20 -0.06 -0.05 0.17 0.24 0.02 0.05 -0.08 -0.05 0.11 -0.08 -0.02 0.05 -0.09 0.04 -0.23 -0.07 -0.13 -0.05 -0.09 0.06 0.04 -0.08 0.22 0.11 -0.11 -0.06 -0.03 0.02 0.12 0.13 -0.07 -0.07 0.11 -0.09 -0.03 0.11 -0.03 -0.02 -0.01 -0.04 -0.02 -0.01 0.03 0.09 -0.04 -0.10 -0.02 0.18 0.13 0.03 -0.07 0.12 -0.01 0.09 -0.27 -0.06 -0.11 -0.26 -0.08 -0.00 0.24 0.01 0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.06 0.02 0.01 0.07 0.01 -0.01 -0.13 -0.01 -0.00 -0.14 -0.03 -0.01 0.06 0.00 -0.00 -0.00 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 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.02 0.01 0.01 0.00 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.02 0.49 0.09 0.03 0.50 0.06 0.03 0.19 0.03 0.02 0.20 0.02 0.03 0.59 0.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 0.01 -0.01 0.01 0.01 0.02 -0.01 0.04 0.01 -0.02 -0.06 -0.10 0.24 -0.02 0.01 -0.06 0.01 0.02 0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.02 0.02 -0.08 0.03 0.03 -0.07 -0.02 0.00 -0.00 -0.02 -0.02 0.09 -0.03 -0.04 0.08 0.01 0.02 -0.00 0.01 0.03 -0.07 -0.00 0.00 -0.02 -0.01 -0.00 0.02 -0.00 0.01 -0.02 -0.01 0.00 0.02 0.02 -0.00 0.00 -0.07 -0.01 0.05 -0.07 0.03 -0.08 -0.07 0.06 -0.14 -0.01 -0.01 0.00 -0.02 -0.03 0.01 -0.01 0.08 0.07 -0.03 -0.01 -0.03 -0.01 -0.00 0.01 0.16 0.18 -0.54 0.15 0.21 -0.53 0.01 0.02 -0.01 0.01 0.01 -0.00 0.01 0.02 -0.01 0.08 0.12 -0.30 0.01 -0.02 -0.01 0.01 -0.03 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.00 0.02 -0.03 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 0.06 0.03 -0.02 -0.10 0.06 -0.03 0.09 -0.06 0.01 -0.07 -0.01 0.01 -0.07 0.03 0.03 -0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.10 -0.00 0.15 0.08 0.03 -0.11 0.04 0.08 -0.02 -0.02 -0.00 -0.02 0.00 0.04 0.01 -0.04 -0.02 -0.02 -0.02 0.14 0.01 -0.03 -0.02 -0.01 0.01 0.02 0.02 -0.07 -0.12 0.03 0.04 -0.02 -0.00 -0.01 -0.07 -0.05 -0.03 -0.09 0.03 -0.00 0.02 -0.04 -0.04 0.01 0.05 0.04 -0.11 -0.01 0.04 0.03 -0.08 0.04 0.01 -0.05 0.04 -0.02 0.09 0.03 0.08 0.04 0.04 -0.02 -0.01 0.04 -0.10 -0.04 0.08 0.04 0.11 0.09 -0.02 0.18 0.04 0.02 -0.05 0.02 0.00 -0.07 -0.08 -0.13 0.02 -0.07 -0.13 0.03 -0.07 -0.13 0.04 0.05 -0.02 -0.02 0.02 0.10 -0.01 0.01 0.11 0.04 -0.04 0.46 0.04 -0.06 0.48 0.06 0.07 0.37 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.07 0.08 0.08 -0.03 0.10 -0.08 0.17 0.03 0.01 0.01 -0.02 0.02 0.01 -0.02 0.01 -0.01 0.06 0.00 -0.04 -0.03 -0.08 0.02 -0.18 0.01 -0.18 -0.08 0.00 0.01 0.06 0.03 -0.02 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.19 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.05 0.08 -0.02 -0.01 -0.00 -0.00 -0.01 -0.08 -0.04 -0.01 -0.08 -0.01 -0.01 0.02 -0.02 -0.01 0.01 0.02 0.01 -0.11 -0.01 0.00 -0.01 0.07 -0.00 -0.01 0.07 0.00 -0.01 0.04 -0.03 -0.10 -0.02 -0.03 -0.09 -0.03 -0.02 0.01 0.02 -0.07 -0.05 -0.13 -0.07 0.09 -0.24 -0.01 -0.01 0.06 -0.01 -0.02 0.07 0.05 0.07 -0.00 0.07 0.11 -0.02 0.05 0.09 -0.02 -0.01 -0.01 0.01 0.00 0.03 -0.02 0.01 0.02 0.00 -0.02 0.46 0.05 0.01 0.47 0.06 0.04 0.39 0.07 -0.00 -0.01 -0.01 0.01 -0.08 -0.03 -0.03 -0.04 0.04 -0.02 -0.04 0.03 0.11 0.13 -0.03 -0.01 0.06 -0.02 -0.18 0.09 -0.01 0.02 -0.02 0.14 -0.01 -0.15 -0.10 -0.03 -0.02 -0.10 0.16 0.03 0.00 0.08 0.03 0.01 -0.01 0.01 0.00 -0.12 0.14 0.02 -0.07 -0.15 -0.07 -0.03 -0.13 -0.02 0.05 -0.00 0.01 0.00 0.26 0.10 0.00 0.01 -0.00 0.17 0.02 0.06 -0.02 0.04 -0.04 -0.03 0.04 0.07 -0.02 0.00 -0.07 -0.05 -0.00 0.06 0.06 0.06 0.01 0.02 -0.03 0.09 0.02 -0.04 0.19 0.02 -0.04 0.13 -0.01 -0.14 -0.03 0.01 -0.28 -0.12 -0.00 -0.14 -0.05 -0.15 0.01 -0.20 -0.07 0.00 0.07 -0.01 -0.01 -0.06 -0.01 -0.13 -0.12 0.06 0.05 -0.01 0.04 0.01 -0.00 0.00 -0.05 0.01 0.12 -0.07 0.02 0.02 0.07 -0.01 -0.01 0.01 0.06 -0.11 -0.22 -0.08 -0.15 -0.27 -0.04 0.04 -0.27 -0.04 -0.10 -0.06 -0.05 -0.01 -0.08 -0.03 0.02 0.03 -0.03 0.02 0.03 -0.02 -0.09 -0.10 0.02 0.01 -0.01 0.02 0.09 -0.08 -0.01 -0.01 0.01 -0.09 -0.01 0.05 0.03 0.02 0.01 0.07 -0.13 -0.03 -0.01 -0.07 -0.02 0.00 0.01 -0.01 -0.00 -0.23 -0.05 -0.09 0.22 -0.18 -0.01 0.02 0.10 0.02 0.37 0.17 0.19 -0.04 0.29 0.10 -0.00 -0.01 0.00 0.06 0.26 0.12 0.01 -0.03 0.03 0.03 -0.03 -0.05 0.02 -0.00 0.06 0.04 0.00 -0.05 -0.04 -0.05 -0.01 -0.02 0.00 -0.07 -0.01 0.02 -0.11 -0.02 0.03 -0.10 0.00 0.07 0.02 0.02 0.12 0.04 0.01 0.01 -0.01 0.13 -0.01 0.15 0.05 -0.01 -0.06 -0.22 -0.10 -0.06 -0.00 -0.16 -0.04 -0.04 -0.04 0.01 -0.03 0.00 -0.00 -0.00 0.04 -0.01 -0.07 0.04 -0.02 -0.02 -0.06 0.01 0.01 -0.00 -0.04 0.09 0.17 0.06 0.12 0.21 0.03 -0.03 0.21 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 0.00 0.03 -0.12 -0.06 0.02 -0.05 -0.08 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.00 0.03 -0.00 -0.01 -0.01 -0.04 -0.00 -0.11 -0.03 0.28 0.40 0.04 -0.16 -0.28 -0.02 0.03 0.08 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.15 0.02 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.01 0.03 0.02 0.01 -0.01 0.00 0.00 -0.04 0.01 -0.02 -0.03 0.01 0.02 -0.01 0.02 -0.03 -0.01 0.01 -0.01 -0.08 -0.02 -0.01 -0.02 0.03 -0.01 -0.02 0.07 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.03 -0.03 -0.17 0.03 -0.21 -0.06 0.10 0.06 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.09 0.12 -0.08 -0.05 -0.13 -0.01 0.05 0.02 -0.07 0.01 -0.01 0.01 0.02 -0.06 0.02 -0.02 -0.06 0.01 0.06 0.33 0.06 -0.03 0.34 0.04 0.03 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 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.07 -0.01 0.00 0.07 0.01 -0.00 -0.07 -0.01 0.00 0.07 0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.00 -0.02 0.01 -0.00 0.02 0.00 0.02 0.01 0.01 0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.03 0.50 0.07 -0.04 -0.48 -0.05 0.02 0.48 0.07 -0.04 -0.49 -0.06 0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.00 -0.01 0.03 0.04 -0.03 -0.04 -0.07 -0.01 0.18 0.05 -0.04 -0.08 0.06 -0.02 0.06 0.01 0.04 0.06 -0.02 -0.03 0.03 0.00 0.09 -0.15 -0.04 -0.01 -0.13 -0.05 0.03 0.01 -0.01 -0.00 -0.02 0.08 0.05 -0.12 -0.04 0.00 -0.02 0.04 0.01 -0.09 -0.04 -0.07 0.01 0.08 0.02 0.02 0.02 -0.01 0.07 -0.06 0.02 0.01 -0.01 0.03 0.03 0.02 -0.05 0.02 -0.03 0.06 0.06 0.01 -0.06 -0.03 -0.03 -0.00 -0.10 -0.11 0.28 -0.11 -0.05 0.22 -0.11 0.05 -0.34 -0.07 -0.33 -0.15 -0.12 -0.05 -0.01 -0.11 0.27 0.14 0.07 -0.03 0.13 0.04 -0.04 0.05 0.04 0.08 -0.07 0.01 0.06 -0.28 -0.03 -0.02 0.00 -0.01 0.04 -0.01 0.02 0.07 -0.01 0.10 -0.01 -0.05 -0.00 -0.02 0.02 0.01 -0.16 -0.07 0.09 0.14 0.06 0.14 -0.02 -0.00 -0.02 0.15 0.04 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.02 -0.01 0.04 0.01 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.03 0.00 0.02 -0.06 -0.00 0.00 0.00 -0.03 -0.03 0.06 -0.02 -0.01 0.07 0.00 0.00 -0.00 0.06 0.05 -0.15 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.04 -0.02 0.00 -0.01 -0.02 0.02 -0.07 -0.01 -0.05 -0.02 -0.02 0.03 0.01 -0.02 0.02 -0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.05 -0.05 0.16 -0.08 -0.10 0.24 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.24 -0.32 0.82 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.03 0.04 -0.04 -0.01 0.06 0.01 0.01 -0.06 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 0.00 0.04 -0.02 0.02 0.05 -0.14 0.00 0.00 0.00 -0.03 -0.02 0.01 0.00 0.03 0.00 0.01 0.00 0.00 0.00 -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 -0.04 -0.01 0.07 -0.05 0.02 -0.06 -0.05 0.05 -0.14 -0.02 -0.09 -0.05 -0.03 0.12 0.04 -0.03 0.01 -0.04 0.01 -0.00 0.01 -0.01 -0.02 -0.02 -0.05 -0.03 0.16 -0.25 -0.30 0.73 -0.02 -0.02 -0.00 -0.01 0.00 -0.00 0.01 0.04 -0.01 0.14 0.13 -0.36 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.01 -0.01 0.04 -0.00 0.01 -0.04 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.04 0.06 -0.14 -0.02 -0.02 0.05 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.00 -0.01 0.01 -0.02 0.01 -0.08 0.01 -0.03 -0.06 -0.01 0.10 0.03 -0.01 -0.04 -0.05 0.01 0.00 -0.00 0.00 0.02 -0.02 -0.25 -0.28 0.81 0.09 0.12 -0.32 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.02 0.00 0.05 0.04 -0.11 0.00 0.02 0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 0.13 -0.04 -0.01 0.02 -0.02 -0.00 -0.01 0.01 0.01 -0.05 0.06 0.00 0.02 -0.04 -0.00 0.00 -0.06 0.01 -0.00 0.04 -0.11 -0.11 -0.01 0.04 0.03 -0.02 0.07 -0.07 0.06 0.08 -0.06 0.05 -0.01 0.01 0.03 -0.02 -0.02 0.03 0.04 -0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.02 0.00 0.09 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.05 -0.03 -0.01 0.05 0.02 -0.03 0.01 -0.06 -0.04 -0.01 0.04 0.01 -0.05 -0.00 -0.00 0.01 -0.04 -0.01 0.02 -0.10 -0.00 0.02 -0.05 0.00 -0.04 -0.10 -0.02 0.22 0.07 -0.02 -0.05 -0.09 0.06 -0.03 0.05 -0.12 -0.30 -0.10 0.02 0.05 -0.07 0.04 0.07 -0.20 -0.22 -0.19 -0.02 -0.17 0.01 -0.02 0.12 0.45 -0.11 -0.01 -0.03 0.05 -0.02 -0.26 -0.08 -0.04 -0.29 -0.01 -0.09 0.04 -0.03 -0.06 0.06 0.02 0.03 0.28 0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.01 0.00 -0.03 -0.01 0.01 0.03 -0.04 0.05 0.00 0.02 -0.03 0.01 0.00 -0.05 0.02 0.00 0.04 -0.03 -0.01 -0.02 -0.01 0.00 0.01 0.02 -0.01 -0.02 0.02 -0.01 0.01 -0.01 0.01 0.03 -0.02 -0.01 0.01 0.02 0.07 0.01 -0.02 -0.01 -0.01 -0.00 0.03 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 -0.09 -0.02 -0.01 -0.10 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 0.09 0.01 -0.02 -0.01 0.02 -0.03 0.02 -0.07 -0.02 0.03 -0.09 -0.00 -0.08 -0.11 -0.03 0.22 0.08 -0.04 -0.01 -0.07 0.03 -0.01 0.02 -0.02 -0.03 -0.08 0.03 0.07 -0.12 0.01 0.04 -0.10 -0.05 -0.05 -0.01 -0.05 -0.02 -0.00 0.02 0.09 -0.02 -0.00 -0.03 0.03 0.03 0.49 0.07 0.03 0.53 0.07 -0.01 -0.02 -0.01 -0.03 -0.05 -0.00 -0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 -0.06 0.02 -0.00 -0.02 0.02 -0.00 0.02 0.03 0.02 -0.07 0.12 0.01 0.02 -0.05 -0.00 0.02 -0.11 0.01 -0.04 0.09 0.04 0.08 -0.06 0.01 -0.01 -0.00 0.00 0.05 -0.02 -0.04 0.03 -0.02 -0.02 0.01 0.05 -0.02 -0.01 0.02 -0.01 -0.04 -0.01 -0.02 -0.01 -0.01 -0.00 0.03 0.00 -0.06 -0.01 -0.01 0.02 -0.01 -0.01 0.00 0.03 0.01 0.00 0.04 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.04 -0.02 -0.12 -0.01 -0.01 -0.05 -0.01 0.00 -0.16 0.02 -0.12 -0.25 -0.03 0.52 0.16 -0.05 -0.18 -0.26 -0.01 0.03 -0.06 0.05 0.19 -0.06 0.06 0.11 -0.21 0.02 0.05 -0.14 0.15 0.13 0.01 0.12 -0.01 0.01 -0.08 -0.30 0.07 -0.00 -0.04 0.04 -0.01 -0.18 -0.02 -0.01 -0.20 -0.02 0.02 -0.02 0.00 0.00 0.00 -0.00 0.01 0.18 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.02 -0.01 0.15 0.05 -0.00 -0.01 0.02 0.01 0.11 0.00 -0.03 -0.13 -0.03 -0.00 -0.03 0.04 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.01 -0.04 -0.01 0.03 0.00 -0.01 -0.00 0.01 0.00 0.02 0.01 0.01 0.01 -0.05 -0.02 0.02 0.00 0.00 -0.03 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.11 -0.14 -0.39 0.07 -0.23 0.59 -0.00 -0.14 -0.30 0.03 -0.05 -0.13 0.05 0.08 -0.02 0.01 -0.31 -0.25 0.00 -0.01 0.03 -0.01 -0.05 0.04 0.04 -0.04 -0.08 0.01 -0.02 0.07 -0.03 -0.03 -0.00 -0.03 0.01 -0.00 0.02 0.07 -0.02 -0.01 0.05 0.01 0.01 0.04 0.01 0.00 0.05 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.02 0.00 0.09 0.01 0.00 0.08 0.01 -0.00 -0.10 -0.01 -0.00 0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.02 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.04 0.46 0.07 -0.04 -0.50 -0.05 -0.03 -0.43 -0.06 0.04 0.54 0.07 -0.01 -0.10 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.04 -0.03 0.01 -0.03 0.02 0.00 0.09 0.01 -0.00 0.07 0.01 -0.03 -0.09 -0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.03 -0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.01 0.01 0.02 -0.00 0.03 -0.00 -0.00 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.01 0.00 0.00 0.00 0.03 0.30 0.03 0.03 0.19 0.05 -0.03 -0.55 -0.08 -0.04 -0.44 -0.05 0.01 0.57 0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.03 0.02 -0.02 0.02 -0.13 -0.08 -0.01 0.03 0.04 -0.04 -0.00 0.00 -0.00 0.05 0.02 0.02 0.01 0.02 -0.03 -0.06 0.06 0.07 -0.02 -0.02 0.02 0.17 0.04 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.13 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 0.00 -0.01 0.01 -0.00 0.00 0.06 0.03 -0.07 0.04 -0.00 0.10 -0.04 -0.01 -0.12 -0.09 -0.02 0.10 -0.09 0.03 -0.02 -0.07 -0.09 0.17 -0.08 -0.03 0.16 -0.06 0.03 -0.25 -0.01 0.01 0.05 0.01 -0.12 -0.04 0.01 0.07 0.07 0.27 0.01 0.29 0.01 -0.04 -0.36 -0.00 -0.01 -0.02 0.01 0.01 0.01 0.20 0.19 0.01 0.15 -0.04 0.01 -0.09 -0.34 0.06 0.01 0.00 0.01 0.05 -0.14 -0.11 0.04 -0.08 0.10 -0.03 0.17 -0.10 -0.11 0.08 0.10 -0.11 -0.10 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 0.05 -0.02 0.01 0.01 0.00 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.30 -0.20 -0.17 0.01 0.36 0.14 -0.01 0.00 -0.00 -0.06 -0.04 -0.03 -0.00 0.06 0.02 0.01 0.00 -0.00 0.30 -0.18 0.03 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.02 0.03 -0.01 0.00 0.01 -0.02 0.01 -0.05 0.03 0.13 0.07 0.05 -0.04 -0.02 0.05 -0.11 -0.04 -0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.26 -0.26 -0.22 0.13 0.37 0.18 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.03 -0.00 0.32 -0.17 0.03 -0.01 0.00 0.01 -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 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.07 -0.04 -0.00 0.01 0.02 -0.02 -0.00 0.00 -0.00 0.03 0.01 0.01 -0.00 0.01 -0.01 -0.04 0.03 0.03 -0.00 -0.01 0.01 0.09 0.02 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.00 -0.00 -0.22 -0.03 0.27 -0.11 0.04 -0.32 -0.03 0.03 -0.09 -0.07 0.01 0.09 0.33 -0.04 0.05 -0.04 -0.05 0.10 -0.05 -0.01 0.08 -0.03 0.02 -0.13 0.00 0.03 0.03 0.01 -0.06 -0.02 0.01 0.02 0.03 0.14 0.00 0.15 0.00 -0.03 -0.20 0.01 0.00 0.00 0.00 -0.01 -0.00 0.08 0.08 -0.01 0.05 -0.04 0.01 -0.03 -0.13 0.01 -0.00 0.01 0.00 -0.20 0.04 0.31 -0.08 0.08 -0.34 -0.03 -0.09 -0.10 -0.07 -0.08 0.06 0.35 0.06 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.14 -0.10 -0.05 -0.01 0.04 -0.04 0.08 -0.02 0.00 -0.01 0.00 0.01 -0.00 -0.02 0.03 -0.10 0.02 0.01 0.08 -0.01 -0.00 0.09 0.16 0.01 -0.09 0.00 -0.00 0.04 -0.08 0.04 0.01 -0.06 0.07 -0.01 0.01 -0.01 0.00 0.02 -0.00 0.07 0.02 0.03 0.00 -0.00 0.00 -0.00 0.01 0.00 0.04 0.05 -0.04 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.02 -0.02 0.02 -0.09 -0.04 -0.00 0.06 -0.02 -0.00 0.01 0.10 0.11 -0.47 0.21 -0.04 -0.01 0.13 -0.14 0.40 -0.06 -0.33 -0.16 -0.15 0.07 0.05 -0.11 0.25 0.09 0.02 0.04 0.05 0.04 -0.05 0.10 -0.02 0.01 0.01 -0.03 0.01 0.03 0.04 0.02 0.05 0.11 0.19 -0.02 0.01 0.08 0.03 0.00 -0.03 -0.02 0.05 0.06 0.04 0.04 0.03 -0.02 0.00 -0.01 -0.10 0.01 -0.02 0.11 -0.03 0.00 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.08 -0.06 -0.03 -0.00 0.03 -0.02 0.06 0.03 0.00 0.00 -0.01 0.02 0.01 0.01 -0.01 0.08 -0.03 -0.02 -0.11 -0.00 0.02 0.07 0.09 0.02 -0.03 0.00 -0.01 -0.00 -0.06 0.03 -0.01 -0.04 0.05 0.01 -0.00 0.00 -0.01 -0.03 -0.01 0.02 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.04 0.03 -0.03 -0.01 0.02 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.03 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.07 -0.07 0.43 -0.19 0.06 -0.08 -0.12 0.15 -0.31 0.08 0.44 0.19 0.21 -0.02 -0.04 0.16 -0.40 -0.16 -0.01 0.02 0.01 0.03 -0.02 0.11 0.01 -0.00 -0.00 0.02 -0.02 -0.02 -0.01 -0.03 0.04 0.06 0.16 -0.01 0.01 0.10 0.02 0.01 0.05 0.03 0.03 0.03 0.01 0.00 0.02 -0.00 -0.01 -0.00 -0.03 0.02 -0.01 0.04 -0.02 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.02 -0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.02 0.06 0.02 0.00 0.01 0.00 0.06 -0.01 0.00 0.00 -0.01 0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.00 0.00 0.00 -0.03 0.01 -0.08 -0.05 -0.01 0.07 -0.02 -0.02 0.14 0.03 0.02 -0.14 0.12 -0.01 0.02 -0.00 -0.00 -0.03 0.01 -0.01 0.02 0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 0.03 0.02 0.12 0.02 0.13 -0.00 -0.04 -0.15 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 0.09 0.11 0.19 -0.01 -0.06 -0.03 0.09 0.00 0.00 0.00 -0.27 0.05 -0.27 -0.36 0.01 0.18 -0.38 -0.02 0.28 -0.27 0.06 -0.39 0.14 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.00 0.00 -0.01 0.01 -0.02 -0.01 0.01 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 -0.03 -0.02 0.01 -0.01 -0.00 -0.00 0.03 -0.06 -0.02 0.09 0.12 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 0.03 -0.09 -0.13 -0.00 -0.00 -0.00 -0.01 -0.00 0.03 0.02 0.01 0.00 0.01 0.00 -0.02 -0.02 -0.01 0.03 -0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.03 -0.00 -0.00 -0.03 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.03 0.02 -0.05 -0.04 -0.04 0.00 0.07 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.24 -0.46 0.32 0.16 0.60 -0.03 -0.19 0.03 0.31 -0.00 -0.00 -0.00 0.02 -0.01 0.05 0.09 -0.05 -0.03 0.11 0.00 -0.05 0.02 0.01 0.06 -0.01 0.00 -0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 -0.08 -0.01 0.00 -0.03 0.02 -0.02 -0.05 0.07 0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 0.02 -0.00 0.00 0.00 -0.01 0.05 0.09 -0.05 -0.07 -0.04 0.01 0.05 0.18 -0.09 0.09 0.10 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.08 -0.11 0.11 0.00 0.00 0.00 -0.03 0.01 0.01 0.02 0.01 0.04 0.02 -0.01 0.03 -0.03 -0.00 0.01 0.01 0.00 -0.03 -0.03 -0.03 0.02 -0.02 -0.02 0.07 -0.01 0.00 -0.10 -0.00 0.01 0.03 0.00 -0.07 -0.02 0.01 0.03 0.04 -0.11 -0.11 -0.01 0.03 0.12 0.04 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.31 -0.29 -0.13 -0.41 -0.33 0.03 0.17 0.42 -0.16 0.01 0.01 0.00 -0.12 -0.05 -0.06 0.09 -0.07 0.01 0.06 0.00 0.02 -0.11 0.02 -0.06 0.03 0.02 -0.17 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.07 0.00 0.01 0.01 -0.00 -0.01 0.01 0.03 -0.03 -0.02 -0.00 -0.01 0.00 -0.01 0.03 0.01 0.00 0.02 0.00 -0.00 0.10 -0.09 -0.05 -0.11 -0.04 0.01 0.06 0.02 -0.02 0.05 0.04 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.01 0.07 -0.01 0.05 0.02 0.01 0.01 -0.00 -0.00 0.00 -0.05 -0.03 -0.00 -0.01 -0.01 -0.01 0.07 0.00 -0.03 -0.06 0.01 -0.03 -0.05 0.01 -0.06 0.01 0.00 -0.03 0.01 -0.01 0.06 -0.04 -0.05 0.07 -0.05 -0.01 0.07 -0.03 0.02 -0.13 -0.01 -0.06 -0.01 -0.04 0.00 0.01 -0.03 0.07 0.03 -0.32 -0.08 -0.29 0.02 0.06 0.47 0.03 -0.05 0.00 -0.01 0.02 0.00 0.04 0.02 0.02 0.04 -0.03 0.01 -0.06 -0.16 0.04 -0.05 -0.08 -0.04 0.16 -0.02 0.04 -0.39 0.03 0.10 -0.27 0.01 0.02 0.06 -0.01 0.01 -0.04 -0.04 0.36 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.05 -0.00 -0.01 -0.02 0.01 -0.00 -0.03 0.01 0.02 0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.06 0.07 0.01 0.07 0.02 -0.00 -0.02 0.03 -0.04 -0.01 0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.01 0.04 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.04 -0.02 0.01 0.00 0.01 0.00 0.09 0.00 -0.01 -0.08 0.01 -0.05 -0.02 0.01 -0.05 0.07 0.00 -0.04 -0.03 -0.01 0.07 0.02 0.02 -0.05 0.03 0.00 -0.02 0.02 -0.02 0.05 0.00 0.03 0.02 0.02 -0.03 -0.02 0.02 -0.02 0.00 0.19 0.02 0.18 -0.00 0.02 -0.33 -0.02 0.02 -0.01 0.01 -0.01 0.00 -0.11 -0.12 -0.01 -0.10 -0.00 -0.00 0.04 0.15 -0.02 0.03 0.05 0.03 0.38 -0.07 0.21 -0.35 0.02 0.04 -0.13 0.01 -0.01 0.28 -0.04 0.12 -0.10 -0.05 0.48 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.03 0.00 -0.00 0.01 -0.01 0.02 -0.03 0.05 0.05 0.04 0.08 0.04 0.02 0.02 -0.03 -0.01 -0.03 -0.02 -0.01 -0.04 -0.01 -0.02 -0.06 -0.05 -0.01 -0.00 0.01 0.00 0.00 0.03 0.01 0.00 -0.08 0.01 -0.02 0.03 -0.09 -0.02 0.01 0.00 0.00 -0.09 -0.03 -0.04 0.00 -0.08 -0.03 -0.03 -0.00 -0.01 0.05 0.07 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.05 0.06 -0.10 0.05 0.03 -0.13 0.02 -0.00 0.10 -0.01 0.03 0.07 0.04 -0.16 -0.06 0.05 -0.03 0.05 -0.06 -0.05 -0.05 -0.02 0.00 0.03 -0.25 0.29 0.02 0.22 -0.11 0.02 0.05 0.04 0.02 0.05 -0.01 0.00 -0.04 -0.12 0.03 0.36 0.60 0.34 -0.02 0.01 -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.01 0.02 0.01 0.01 -0.00 -0.02 -0.01 0.01 0.03 0.00 -0.01 0.01 -0.01 0.03 -0.05 0.08 0.06 -0.02 0.04 0.08 -0.06 0.01 -0.04 0.05 -0.01 -0.05 0.03 -0.04 -0.03 0.00 -0.07 -0.03 -0.00 -0.01 -0.00 -0.01 0.00 0.03 0.00 0.01 0.06 -0.05 -0.00 0.04 -0.00 0.01 -0.00 0.01 0.00 -0.16 -0.09 -0.09 0.02 0.24 0.10 -0.03 0.00 -0.01 -0.11 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 0.01 0.03 -0.25 0.10 -0.06 0.11 0.04 -0.08 0.03 0.00 0.20 0.17 0.10 -0.22 -0.09 0.10 -0.07 0.08 -0.02 -0.06 -0.01 -0.03 0.00 -0.05 0.34 -0.48 -0.07 0.32 -0.03 0.09 0.05 0.04 0.02 0.05 -0.01 0.00 -0.04 -0.11 0.02 -0.22 -0.13 -0.12 -0.01 0.01 -0.01 0.02 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.02 0.03 -0.06 -0.06 0.02 -0.00 -0.09 0.08 -0.01 0.03 -0.04 -0.00 0.05 -0.02 0.02 0.02 0.00 0.05 0.02 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.01 -0.01 -0.06 -0.03 0.09 -0.00 0.03 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 0.02 -0.01 0.00 0.02 0.00 0.00 -0.06 0.07 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.23 -0.09 0.05 -0.12 -0.04 0.09 -0.02 -0.04 -0.25 -0.16 -0.10 0.14 0.06 -0.09 0.11 -0.02 0.01 0.05 0.00 0.02 0.01 0.03 0.19 -0.41 -0.09 0.62 -0.05 0.17 -0.03 -0.03 -0.02 -0.04 0.01 -0.00 0.03 0.08 -0.02 0.04 0.24 0.10 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 0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.02 0.00 -0.03 0.02 -0.02 0.08 -0.10 0.12 0.01 0.07 0.24 -0.12 0.12 -0.02 0.02 -0.02 -0.08 0.03 -0.02 -0.11 -0.05 0.04 -0.11 0.01 0.02 -0.02 -0.02 -0.02 0.02 0.04 -0.02 0.02 0.02 -0.06 -0.01 -0.05 0.04 0.01 -0.04 0.01 -0.00 0.14 0.04 0.06 -0.00 -0.09 -0.04 -0.03 0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.03 0.13 -0.08 0.06 -0.18 -0.05 0.13 -0.11 -0.05 -0.13 0.12 -0.05 -0.44 -0.14 0.03 0.16 0.21 0.01 -0.05 -0.01 -0.04 0.01 -0.19 0.20 -0.35 -0.08 -0.06 0.07 -0.03 0.08 0.07 0.03 0.09 0.00 0.00 -0.04 -0.12 0.02 -0.14 -0.26 -0.14 0.01 0.01 0.01 0.07 0.01 -0.03 0.06 -0.00 -0.01 0.05 -0.01 0.02 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.02 0.00 -0.01 0.04 -0.00 -0.01 -0.04 0.01 -0.03 -0.01 -0.01 0.07 0.01 0.01 0.00 0.00 0.01 -0.02 0.00 0.00 0.02 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.10 0.02 -0.08 0.21 -0.01 -0.08 0.42 -0.00 -0.15 -0.42 0.07 -0.34 -0.11 -0.08 0.64 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.01 0.01 0.01 0.02 -0.04 0.12 0.18 -0.04 -0.01 0.02 0.02 -0.06 -0.11 0.01 -0.04 -0.07 0.06 -0.04 -0.02 0.02 -0.09 -0.04 0.02 0.01 0.03 -0.02 0.09 0.06 0.01 0.02 -0.03 -0.01 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.02 0.00 0.01 -0.00 0.00 0.00 -0.04 -0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.18 0.21 0.09 0.07 0.11 -0.41 0.03 0.08 0.40 0.05 0.06 -0.15 0.11 0.21 0.05 0.02 -0.32 -0.26 0.02 -0.11 0.13 -0.07 -0.21 0.02 0.09 -0.16 -0.01 -0.10 0.01 -0.00 0.01 -0.01 0.04 0.02 -0.06 0.01 -0.05 -0.15 0.04 -0.09 -0.14 -0.08 0.02 -0.01 0.01 -0.01 0.00 0.00 -0.06 0.00 0.02 0.03 -0.01 0.02 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 -0.01 -0.00 0.02 -0.04 0.00 0.04 -0.04 0.03 -0.02 0.11 -0.18 -0.07 0.07 0.26 0.12 -0.06 -0.03 -0.00 -0.04 -0.07 0.02 -0.02 -0.09 0.02 -0.02 0.11 -0.05 -0.01 0.02 0.00 0.03 -0.02 -0.04 0.02 -0.02 0.02 -0.00 0.01 -0.01 -0.01 0.00 0.05 -0.01 -0.00 -0.06 -0.01 -0.02 0.01 0.06 0.03 0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.03 0.00 0.02 0.02 0.00 -0.02 0.01 -0.00 0.02 0.01 -0.00 0.00 0.03 0.04 0.03 -0.09 0.07 -0.23 -0.06 0.12 -0.03 -0.05 -0.13 0.11 -0.07 -0.31 -0.10 0.01 0.12 0.15 0.07 0.13 0.03 0.01 -0.11 0.09 -0.05 0.15 0.01 -0.23 0.03 -0.11 -0.06 -0.06 -0.03 -0.08 -0.00 0.00 0.03 0.09 -0.01 -0.06 -0.10 -0.05 -0.25 0.04 -0.20 -0.34 0.00 0.14 0.26 -0.00 -0.11 0.15 -0.03 0.14 0.00 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.02 0.04 0.01 -0.02 -0.06 -0.03 0.01 0.01 0.00 0.01 0.02 -0.01 0.00 0.02 -0.01 0.01 -0.02 0.01 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 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.05 0.01 -0.04 -0.05 0.00 0.02 0.05 -0.00 -0.01 0.03 -0.01 0.03 0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.02 -0.02 0.05 0.01 -0.03 0.01 0.01 0.03 -0.03 0.02 0.08 0.03 -0.00 -0.03 -0.04 -0.01 -0.03 0.00 -0.01 -0.00 -0.02 0.01 -0.03 -0.00 0.05 -0.01 0.03 0.02 0.02 0.01 0.02 -0.01 0.00 -0.01 -0.03 0.00 0.01 0.02 0.01 -0.39 0.07 -0.31 -0.43 0.02 0.17 0.52 -0.01 -0.18 0.33 -0.06 0.26 0.00 -0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 -0.02 0.02 -0.01 0.01 0.11 0.07 -0.07 -0.10 -0.11 -0.01 -0.01 -0.02 -0.01 0.04 0.04 0.01 0.02 0.02 -0.00 -0.08 0.03 0.03 -0.07 -0.02 0.01 0.06 0.02 -0.02 0.22 0.05 0.05 -0.01 0.01 0.00 0.02 -0.00 0.01 -0.15 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.08 -0.02 -0.01 -0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.01 -0.00 -0.01 0.03 -0.01 0.03 0.04 0.00 -0.03 -0.01 0.00 0.00 -0.09 -0.11 0.00 -0.06 -0.05 0.18 -0.01 -0.03 -0.16 -0.02 -0.03 0.03 -0.06 0.00 0.01 -0.02 0.11 0.06 0.10 0.01 0.15 -0.18 -0.64 -0.02 -0.05 0.08 0.02 0.09 -0.00 0.02 0.06 0.02 0.10 0.12 -0.10 0.01 -0.09 -0.30 0.06 0.03 0.05 0.03 0.13 -0.03 0.12 0.20 0.01 -0.09 0.11 -0.01 0.01 0.12 -0.01 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.03 -0.01 -0.03 0.02 -0.02 -0.01 -0.09 0.09 -0.19 0.21 -0.05 0.11 -0.12 -0.00 0.07 -0.07 0.01 0.07 -0.06 0.02 0.02 0.01 -0.05 0.08 0.02 -0.01 0.06 -0.02 0.02 0.04 -0.04 0.03 0.00 0.00 0.00 0.05 -0.01 0.01 -0.10 0.01 -0.01 -0.09 0.01 -0.03 0.06 0.06 0.04 -0.02 0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 -0.01 -0.02 -0.00 0.00 0.02 -0.00 0.02 0.03 0.00 -0.02 -0.00 0.00 0.00 0.02 -0.04 0.29 -0.22 0.10 -0.16 -0.11 0.22 -0.09 0.01 -0.22 -0.18 -0.19 0.11 0.08 -0.17 0.12 -0.13 -0.12 -0.18 -0.00 0.06 0.24 -0.09 -0.18 0.30 0.07 -0.16 0.01 -0.05 0.06 0.05 0.03 0.08 0.01 0.00 -0.01 -0.04 -0.01 -0.08 -0.10 -0.06 0.07 -0.02 0.07 0.12 0.00 -0.05 0.10 -0.01 -0.00 0.10 -0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.05 0.01 0.03 -0.10 -0.08 -0.06 -0.01 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.05 0.04 0.00 0.05 -0.01 0.01 0.02 -0.00 0.00 -0.06 0.13 0.03 0.14 -0.04 0.03 0.00 -0.00 0.00 -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 0.02 -0.03 0.04 -0.00 -0.03 0.00 -0.01 0.02 -0.03 -0.00 0.00 0.07 -0.05 -0.03 0.06 -0.07 0.02 0.02 0.03 -0.01 -0.01 -0.04 0.01 -0.26 0.40 0.06 0.59 -0.06 0.16 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.24 -0.42 -0.23 -0.02 0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.12 -0.03 0.04 -0.01 0.02 -0.01 0.19 -0.02 0.09 -0.14 0.04 -0.06 0.03 -0.03 0.01 0.05 -0.01 0.01 0.04 -0.02 0.02 -0.13 0.04 -0.07 -0.08 -0.01 -0.00 -0.20 0.02 -0.03 -0.05 0.05 -0.04 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.19 -0.02 0.06 -0.01 -0.01 -0.01 0.01 0.02 0.01 0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.04 -0.01 0.02 0.06 0.00 -0.02 -0.02 0.01 -0.06 -0.06 0.00 0.03 0.00 -0.00 0.01 -0.03 -0.06 0.12 -0.14 0.02 0.03 -0.05 0.10 -0.09 0.02 -0.06 -0.08 -0.11 0.09 0.06 -0.10 0.07 -0.08 0.20 0.22 -0.00 -0.20 -0.49 -0.10 -0.03 0.05 0.01 -0.10 0.01 -0.02 -0.08 -0.07 -0.03 -0.11 -0.04 -0.01 -0.00 0.01 0.03 0.01 0.04 0.02 -0.22 0.06 -0.20 -0.19 -0.00 0.08 -0.26 0.01 0.02 -0.17 0.02 -0.05 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.01 0.00 0.01 -0.01 0.01 0.01 0.02 -0.04 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.03 0.02 -0.00 -0.03 -0.03 -0.01 0.03 0.05 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.05 0.29 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.09 0.02 -0.11 0.12 0.00 -0.08 0.15 0.00 -0.07 -0.12 0.02 -0.11 -0.02 -0.02 0.13 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.07 -0.32 0.18 0.10 0.34 -0.14 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.04 -0.04 0.01 -0.03 -0.04 -0.01 -0.02 -0.06 0.04 0.00 0.00 0.00 -0.25 0.05 -0.24 0.25 0.00 -0.13 -0.35 0.00 0.11 0.28 -0.04 0.21 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.03 -0.01 -0.01 0.01 -0.00 -0.08 -0.03 0.05 0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.01 0.01 -0.01 0.00 0.06 0.03 -0.01 -0.04 -0.03 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.05 -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.04 0.01 -0.04 0.02 0.00 -0.01 0.05 -0.00 -0.00 -0.02 0.01 -0.04 -0.01 -0.00 0.04 0.02 0.02 0.00 0.01 0.01 -0.03 -0.00 0.01 0.02 0.00 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.00 0.01 0.11 0.68 -0.41 -0.11 -0.45 0.25 0.02 -0.04 -0.00 -0.05 0.00 -0.01 0.01 0.01 -0.02 -0.01 0.04 0.00 0.01 0.07 -0.01 0.01 0.02 0.01 0.03 -0.02 0.02 0.07 -0.00 -0.03 -0.02 -0.00 0.02 0.11 -0.01 0.06 0.01 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.01 -0.06 -0.07 -0.05 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.09 0.15 0.03 0.16 -0.00 0.05 0.01 0.00 -0.01 -0.03 0.09 0.03 0.08 -0.01 0.02 -0.00 0.00 -0.00 -0.08 -0.16 -0.08 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.04 0.04 0.03 -0.02 0.00 0.01 0.01 0.03 0.02 0.06 0.04 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.06 0.03 0.01 0.03 -0.01 0.29 -0.49 -0.09 -0.49 0.06 -0.13 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.25 0.39 0.23 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.03 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.04 0.02 -0.01 -0.02 -0.02 -0.00 0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.10 -0.02 0.05 -0.11 0.00 0.02 -0.04 0.00 -0.00 0.03 -0.00 0.01 0.02 0.01 -0.11 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 0.01 0.00 0.12 -0.08 0.00 -0.03 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.05 -0.05 0.03 -0.01 -0.06 -0.01 -0.01 -0.08 0.02 -0.00 -0.01 -0.00 -0.45 0.10 -0.39 0.51 -0.01 -0.21 -0.24 0.00 0.07 0.21 -0.03 0.15 -0.05 -0.04 0.32 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.04 -0.03 -0.02 -0.01 0.01 -0.11 -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 0.04 0.01 0.03 0.17 0.05 -0.02 -0.17 -0.10 0.04 0.18 0.12 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.07 0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.04 -0.02 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.05 -0.00 -0.02 -0.02 0.00 -0.01 0.00 -0.00 0.03 -0.01 -0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.03 0.04 -0.06 0.30 -0.25 0.03 -0.03 -0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.22 -0.21 0.19 -0.03 -0.36 -0.05 -0.06 -0.42 0.11 -0.01 -0.01 -0.01 0.09 -0.00 0.08 -0.30 0.02 0.12 0.09 0.00 -0.06 -0.22 0.03 -0.14 0.02 0.02 -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 0.01 0.00 0.01 0.02 0.01 -0.01 0.01 -0.08 0.00 -0.09 -0.05 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.02 0.34 -0.02 -0.19 0.29 0.17 -0.01 0.37 0.16 0.34 0.25 -0.05 0.42 0.03 -0.14 0.28 0.27 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.05 0.02 -0.01 -0.07 -0.02 0.00 0.08 0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 -0.13 0.04 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.02 -0.01 0.03 -0.00 -0.01 0.02 0.02 -0.01 0.03 -0.01 -0.03 -0.02 0.01 -0.04 -0.00 0.01 -0.02 -0.02 -0.05 0.03 -0.05 0.00 -0.06 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 0.33 0.34 -0.35 0.18 0.57 0.12 0.05 0.37 -0.26 0.00 0.01 0.01 -0.03 0.01 -0.03 -0.04 0.00 0.01 -0.01 0.00 -0.01 -0.05 0.01 -0.03 0.00 0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.01 -0.00 0.02 -0.10 -0.00 0.07 0.04 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.02 0.02 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.15 -0.02 0.41 -0.07 -0.21 0.34 0.22 -0.02 0.44 -0.14 -0.29 -0.19 0.03 -0.33 -0.03 0.13 -0.24 -0.21 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.06 0.01 0.01 0.02 0.00 -0.02 -0.02 0.03 -0.01 -0.04 -0.01 -0.00 -0.02 0.02 0.04 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 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.05 -0.03 0.09 0.18 0.10 -0.01 0.02 0.00 0.02 0.04 0.03 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.12 -0.00 -0.04 0.08 -0.11 -0.02 -0.00 0.00 0.00 -0.15 0.05 -0.03 0.10 -0.10 -0.01 -0.00 -0.00 0.00 0.05 0.07 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 -0.04 0.06 0.08 0.00 -0.00 0.06 -0.14 -0.02 -0.05 -0.13 -0.07 -0.10 -0.20 0.02 0.00 -0.09 -0.21 -0.02 0.04 -0.03 0.02 0.03 -0.05 0.05 -0.32 -0.10 -0.40 -0.08 -0.16 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.28 -0.48 -0.27 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.02 0.01 0.01 -0.01 0.08 0.02 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.05 -0.10 0.05 -0.07 -0.03 0.01 0.03 -0.01 0.01 0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.01 -0.04 -0.03 0.01 0.00 -0.02 0.05 -0.00 -0.00 -0.00 -0.03 0.05 0.02 -0.00 0.02 -0.02 0.02 0.26 0.57 -0.22 0.13 0.62 -0.30 -0.00 0.01 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.03 0.03 0.03 0.01 0.02 -0.02 -0.05 0.01 0.02 0.01 0.02 -0.00 0.00 0.02 0.00 -0.02 0.06 -0.00 -0.02 -0.02 0.00 -0.03 0.01 0.01 -0.05 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.02 0.01 -0.13 0.07 -0.01 -0.02 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.09 -0.04 0.06 0.06 0.04 0.00 0.00 -0.00 0.07 -0.18 -0.05 0.19 0.05 0.08 0.00 0.00 -0.00 -0.13 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 -0.09 -0.05 0.11 0.21 0.04 -0.12 0.08 -0.28 -0.08 0.03 0.06 0.02 -0.06 -0.06 0.01 -0.04 -0.00 -0.08 -0.02 -0.00 -0.01 0.01 -0.00 -0.02 -0.36 0.47 0.05 -0.50 0.12 -0.11 0.01 -0.00 0.02 0.00 -0.02 -0.00 -0.00 0.01 0.01 -0.09 0.16 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.04 0.02 -0.00 0.03 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.01 -0.11 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.01 -0.02 0.00 -0.00 0.00 -0.07 -0.00 0.04 0.07 -0.01 0.05 0.12 -0.01 0.01 -0.11 0.01 -0.02 0.01 0.01 -0.08 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 -0.00 0.01 0.00 0.02 -0.00 0.09 -0.06 0.03 0.08 -0.08 0.01 -0.01 0.00 0.01 -0.00 0.00 0.21 0.01 0.37 0.25 -0.24 -0.00 -0.03 0.30 -0.05 0.00 -0.00 0.00 0.03 -0.02 0.14 -0.13 -0.01 0.14 -0.32 -0.00 0.18 0.20 -0.04 0.25 -0.08 -0.06 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.03 -0.00 -0.01 -0.03 0.00 -0.02 -0.04 0.00 -0.01 0.04 -0.00 0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.02 0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.45 0.13 0.43 -0.09 -0.30 -0.06 -0.22 0.49 0.34 -0.00 -0.00 -0.00 -0.03 0.01 -0.07 0.04 -0.00 -0.05 0.11 0.00 -0.07 -0.08 0.02 -0.10 0.03 0.02 -0.18 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.03 -0.02 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.02 0.01 0.00 -0.00 0.00 0.03 -0.00 -0.00 -0.01 0.00 -0.02 -0.03 0.00 -0.01 0.03 -0.00 0.01 -0.01 -0.00 0.03 -0.00 0.00 0.01 0.02 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.14 -0.20 0.31 0.64 -0.17 0.07 0.22 0.11 -0.53 0.00 -0.00 0.00 -0.04 0.01 -0.06 0.02 0.01 -0.03 0.06 0.00 -0.05 -0.07 0.01 -0.08 0.02 0.02 -0.14 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 -0.03 -0.01 -0.01 0.03 0.01 0.03 -0.04 -0.01 -0.02 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.03 -0.01 0.04 -0.01 0.01 -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 0.00 -0.00 -0.00 0.00 0.21 0.11 -0.31 -0.41 -0.09 0.26 -0.18 0.57 0.17 -0.04 -0.09 -0.15 0.28 0.06 -0.04 0.12 -0.01 0.21 -0.03 -0.04 0.01 -0.00 -0.04 0.01 -0.06 0.04 0.00 -0.14 0.02 -0.03 -0.01 -0.01 0.00 0.02 -0.00 0.00 0.01 0.00 -0.02 -0.04 -0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.01 0.01 0.00 0.00 0.02 0.03 0.01 -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.31 -0.39 -0.06 -0.23 0.19 -0.21 0.18 -0.25 0.13 0.07 0.06 -0.41 0.47 -0.01 -0.08 -0.04 0.15 0.24 -0.03 -0.02 -0.01 0.00 -0.02 -0.02 0.01 -0.03 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 0.02 -0.02 0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 0.01 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.09 0.18 0.25 -0.02 -0.04 0.00 -0.15 -0.14 -0.23 -0.40 0.12 0.25 0.36 -0.02 0.43 -0.21 0.43 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.05 0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.01 -0.04 -0.01 -0.07 0.02 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.10 -0.15 -0.08 -0.16 0.07 -0.05 0.05 -0.01 0.08 -0.05 -0.07 0.13 -0.10 0.05 0.02 0.07 -0.07 -0.01 0.58 0.01 0.31 -0.13 0.23 0.60 -0.00 -0.01 0.00 -0.02 0.00 -0.01 0.02 0.01 0.02 0.01 -0.01 0.00 -0.01 0.03 -0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.02 0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.03 0.01 -0.01 -0.01 0.00 0.00 0.03 0.01 0.01 0.02 0.01 -0.03 0.01 0.00 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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.21 -0.33 -0.22 -0.39 0.15 -0.12 0.10 -0.01 0.21 -0.12 -0.14 0.44 -0.34 0.16 0.06 0.17 -0.20 -0.06 -0.20 0.01 -0.11 0.05 -0.08 -0.21 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.01 -0.02 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 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 -0.00 0.00 -0.00 0.00 -0.00 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 -0.05 -0.02 0.00 -0.01 0.03 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.14 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.05 0.02 -0.10 -0.07 -0.01 0.08 -0.13 -0.00 0.09 -0.10 0.02 -0.12 0.10 -0.01 0.01 -0.02 -0.02 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.02 -0.03 0.01 0.01 0.02 -0.00 0.03 -0.02 0.03 -0.08 -0.02 -0.03 0.00 -0.06 -0.07 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.03 0.06 -0.02 0.01 0.02 0.04 -0.05 0.00 0.00 0.00 0.40 -0.06 0.25 0.41 -0.02 -0.08 0.46 -0.01 -0.12 0.39 -0.06 0.26 0.12 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.02 0.03 0.02 -0.15 -0.25 -0.14 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.22 0.08 0.17 0.11 0.10 -0.00 -0.00 0.00 -0.03 -0.24 -0.10 -0.12 -0.14 -0.09 0.00 0.00 -0.00 0.16 0.31 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 -0.01 -0.02 0.02 0.01 0.02 -0.05 0.01 -0.03 -0.01 -0.00 0.02 0.04 0.01 0.01 -0.01 0.02 -0.02 0.02 -0.03 0.01 -0.02 0.01 -0.01 -0.06 0.25 -0.20 0.01 -0.32 0.17 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.27 -0.39 -0.23 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 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 0.01 0.00 0.00 -0.04 0.04 -0.01 0.04 -0.06 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.06 0.03 -0.25 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.07 -0.03 0.18 -0.14 -0.01 0.16 0.09 0.02 -0.19 -0.03 0.03 -0.21 -0.06 -0.04 0.36 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 0.03 0.03 -0.01 0.01 0.04 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.04 -0.06 -0.04 0.05 -0.00 -0.01 -0.08 0.03 0.00 -0.00 0.00 -0.29 0.04 -0.10 0.32 -0.03 -0.01 -0.21 0.03 -0.10 0.25 -0.01 -0.02 0.09 0.06 -0.52 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 0.03 -0.01 0.00 -0.22 0.10 -0.03 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.24 -0.25 -0.02 0.33 -0.07 0.07 -0.00 -0.00 0.01 -0.19 0.17 0.01 -0.27 0.10 -0.05 0.00 0.00 -0.00 0.12 -0.06 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.06 -0.03 0.02 -0.01 -0.01 0.01 0.02 0.00 0.02 0.03 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 -0.17 0.45 0.11 -0.47 0.00 -0.14 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.13 -0.08 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 0.01 0.04 -0.02 0.02 -0.06 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.27 -0.03 0.12 0.29 -0.01 -0.04 -0.28 0.01 0.03 -0.25 0.03 -0.11 0.13 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 0.01 0.01 0.00 0.03 0.02 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.03 -0.03 -0.02 0.03 -0.00 -0.01 -0.03 0.02 -0.00 0.00 0.00 -0.27 0.06 -0.33 -0.33 -0.00 0.20 0.28 0.01 -0.19 0.20 -0.04 0.26 0.15 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.04 0.03 -0.01 0.06 -0.04 0.02 -0.02 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.05 -0.03 -0.04 -0.05 0.03 0.23 -0.35 0.22 -0.18 0.44 -0.23 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.09 0.04 -0.10 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.09 0.02 0.00 -0.00 0.00 0.03 -0.01 0.06 0.02 -0.01 0.02 0.01 0.00 -0.03 -0.03 0.00 -0.04 -0.01 -0.01 0.06 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 0.02 -0.14 -0.14 0.03 -0.05 -0.21 -0.05 -0.01 0.02 -0.00 -0.01 0.00 -0.00 -0.05 -0.20 0.26 0.15 -0.22 0.02 0.05 0.33 -0.17 0.00 -0.00 0.00 -0.10 0.02 -0.03 -0.03 0.03 0.05 -0.05 0.00 -0.01 0.05 -0.00 0.02 0.02 0.01 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.14 -0.34 0.29 0.02 -0.05 0.07 -0.00 0.04 -0.03 -0.00 -0.02 0.00 0.01 0.01 -0.01 -0.01 0.00 0.01 0.03 -0.01 0.01 -0.24 0.55 -0.49 0.05 -0.07 0.06 -0.03 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.04 0.02 -0.03 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.02 -0.01 0.02 0.04 -0.01 0.00 -0.01 -0.00 0.00 -0.03 0.00 -0.01 0.01 -0.00 0.01 -0.12 -0.11 0.11 -0.02 0.02 -0.03 0.08 -0.11 0.08 -0.04 -0.09 -0.04 0.04 0.03 -0.00 0.06 -0.08 -0.01 -0.07 0.11 -0.12 0.05 -0.04 -0.05 0.02 -0.02 -0.01 0.00 0.01 0.01 -0.01 -0.02 0.02 0.01 0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.00 -0.00 0.02 0.04 0.02 -0.05 0.01 0.04 0.02 0.00 -0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.04 -0.06 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.03 -0.01 -0.01 0.01 -0.44 0.50 0.73 0.14 -0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.04 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.01 0.06 0.03 -0.08 -0.04 0.03 -0.38 0.17 -0.06 0.12 -0.09 0.67 0.39 0.34 -0.22 -0.01 0.02 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.05 0.07 0.03 0.01 0.01 -0.11 0.05 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 -0.01 -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 0.04 -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 0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.06 0.03 -0.01 0.02 -0.01 0.10 0.06 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.34 -0.45 -0.20 -0.08 -0.06 0.70 -0.30 -0.01 -0.15 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.05 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.26 0.21 -0.05 -0.11 -0.50 -0.27 0.62 0.29 -0.24 -0.05 0.02 -0.01 0.02 -0.01 0.10 0.03 0.03 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.04 -0.07 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 0.00 0.00 0.00 -0.00 -0.00 -0.42 0.57 0.22 -0.06 -0.07 0.65 0.07 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.02 0.05 -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 0.01 -0.01 0.00 0.02 0.09 0.05 0.04 0.02 -0.02 0.11 -0.04 -0.00 0.12 -0.08 0.64 -0.52 -0.45 0.27 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 -0.07 -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 0.05 -0.07 0.01 0.12 0.65 0.36 0.54 0.23 -0.22 -0.08 0.04 -0.01 -0.01 0.01 -0.09 0.04 0.03 -0.02 -0.00 0.00 0.00 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.09 0.02 -0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.00 0.01 0.06 0.03 0.04 0.02 -0.02 0.80 -0.38 0.11 0.03 -0.03 0.23 0.24 0.23 -0.14 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.01 -0.04 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.14 -0.20 -0.09 -0.04 -0.01 0.20 0.84 0.04 0.41 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.06 0.00 -0.00 0.01 0.02 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.04 -0.01 0.00 -0.02 -0.03 -0.00 0.04 0.04 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.05 -0.00 -0.03 -0.00 0.00 -0.00 0.04 0.01 -0.05 0.19 -0.07 0.50 0.11 -0.05 0.30 0.38 0.03 -0.47 -0.46 0.04 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.05 -0.06 -0.09 0.96 -0.15 0.19 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.05 -0.02 0.01 -0.05 0.01 0.00 -0.01 0.04 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.00 0.01 0.00 -0.00 -0.00 0.09 0.01 -0.11 -0.20 0.07 -0.54 0.22 -0.09 0.59 -0.11 -0.01 0.14 -0.44 0.04 -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 -0.07 0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.71 -0.59 0.17 -0.06 -0.22 -0.13 0.17 0.09 -0.07 0.03 -0.02 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.01 0.01 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 -0.00 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 -0.01 -0.00 0.01 -0.02 0.01 -0.04 -0.02 0.01 -0.05 0.03 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.09 0.01 -0.11 0.18 -0.07 0.49 0.19 -0.08 0.52 -0.33 -0.03 0.39 0.35 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.02 -0.01 0.00 -0.03 -0.03 -0.00 0.04 -0.06 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.11 0.01 -0.14 -0.10 0.04 -0.26 0.11 -0.05 0.31 0.36 0.03 -0.45 0.65 -0.05 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.01 -0.06 0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 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 -0.61 -0.08 0.73 -0.01 0.00 -0.02 0.09 -0.04 0.23 0.03 0.00 -0.04 0.08 -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 -0.07 -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 -0.01 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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.81 0.42 0.39 -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 -0.01 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.05 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.53 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.93 0.36 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 17 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 34.96885 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 375.07928 0.99997 0.00702 -0.00275 -0.00715 0.99872 -0.05015 0.0024 0.05017 0.99874 asymmetric 1 0.01960 0.00431 0.00398 0.40835 0.08972 0.08283 908976.9 23.15 34.88 44.47 76.81 91.83 114.38 133.10 195.06 216.32 228.74 236.89 256.88 265.10 299.93 305.68 311.29 384.38 396.79 402.91 451.31 464.94 481.51 493.20 535.39 574.61 589.12 598.19 600.62 635.73 650.20 670.28 750.59 758.98 776.55 778.81 832.17 843.87 866.79 903.67 914.91 977.98 1021.77 1028.46 1082.12 1109.92 1149.38 1150.23 1159.91 1229.85 1249.73 1263.77 1287.48 1313.46 1325.14 1342.16 1361.68 1370.77 1417.85 1443.15 1450.86 1457.15 1464.61 1486.95 1494.67 1520.88 1523.97 1540.20 1596.13 1597.08 1621.29 1645.96 1654.55 1669.63 1712.48 1715.05 1746.19 1747.60 1757.81 1833.85 1848.33 1881.06 1893.93 1907.00 1917.65 1949.88 1973.78 2020.40 2045.89 2049.99 2078.22 2089.66 2104.88 2116.25 2125.18 2128.92 2135.51 2158.25 2177.88 2182.07 2187.57 2196.77 2300.45 2321.08 2336.74 2362.19 2373.69 2469.56 4276.00 4360.35 4360.82 4382.16 4432.69 4456.51 4474.29 4489.90 4532.67 4540.72 4549.31 4552.52 4554.04 4566.94 4583.19 4612.24 4614.21 4630.76 4635.77 0.346211 0.369004 0.369948 0.292511 -1899.182344 -1899.159551 -1899.158607 -1899.236044 231.554 88.312 162.980 0.000 0.000 0.000 0.889 2.981 43.659 0.889 2.981 35.914 229.776 82.351 83.407 1 0.593 1.986 7.066 2 0.593 1.985 6.252 3 0.594 1.984 5.770 4 0.596 1.976 4.688 5 0.597 1.972 4.335 6 0.600 1.963 3.903 7 0.602 1.955 3.606 8 0.613 1.918 2.865 9 0.618 1.902 2.668 10 0.621 1.893 2.562 11 0.623 1.886 2.496 12 0.629 1.869 2.344 13 0.631 1.861 2.285 14 0.642 1.828 2.057 15 0.643 1.822 2.022 16 0.645 1.816 1.989 17 0.672 1.733 1.615 18 0.677 1.718 1.560 19 0.680 1.711 1.533 20 0.702 1.648 1.343 21 0.708 1.629 1.294 22 0.716 1.606 1.237 23 0.722 1.590 1.199 24 0.744 1.529 1.071 25 0.765 1.471 0.965 26 0.774 1.450 0.929 27 0.779 1.436 0.906 28 0.780 1.432 0.901 29 0.802 1.379 0.821 30 0.811 1.357 0.790 31 0.823 1.326 0.749 32 0.877 1.202 0.606 33 0.882 1.189 0.593 34 0.895 1.162 0.566 35 0.896 1.159 0.563 36 0.935 1.078 0.488 37 0.944 1.061 0.473 38 0.961 1.027 0.445 0.501409e+25 24.700193 56.874295 0.111466e+10 9.047142 20.831813 0.100000e+01 0.000000 0.000000 0.285521e+09 8.455638 19.469827 0.157548e+08 7.197412 16.572654 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2516 0.5744 -1.7509 1.8598 -164.7807 -165.1515 -158.1423 8.6734 -3.9497 0.3225 -2.0892 -2.4600 4.5492 8.6734 -3.9497 0.3225 65.7536 8.2224 -5.3942 -27.1478 27.2374 -6.0591 17.2948 1.2530 -8.9065 -0.3288 -13230.8558 -2308.4833 -1187.8400 -132.9267 -3.0670 67.5631 13.6664 17.0809 -2.2396 -2795.0844 -2415.8045 -601.4279 -48.2733 -12.7539 10.3321 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1899.528555 1.173E-9 3.14E-6 0.346211 0.369004 -1899.159551 -1899.1586068 -1899.2360439 -1.2672219,1.6132689,-0.346047,-3.8361986,6.3260854,1.4005669 C01 [X(C20H19Cl2N1O2)] -0.2471732 0.6314028 -0.2749803 -0.4457997 -0.3196899 -0.2236489 -0.3717362 -0.3823521 -0.241014 -0.2592432 -0.2444243 -0.257574 -0.1552601 0.0426191 0.1617646 0.0818943 -0.1546561 -0.2469622 0.2493443 -0.2372176 -0.6928394 -1.2999426 -0.6166483 0.0159972 -0.5939757 -0.6526858 0.0438908 -0.4365033 -0.1029336 -0.6692244 -0.8092488 -0.1628964 -0.0812734 -0.3711702 -0.7243223 0.3785281 0.0088917 0.4146684 -0.9353967 -1.6176836 -0.4552522 -0.2567453 -0.1671073 -0.5871751 0.0777125 -0.1390591 0.0829071 -0.5598691 0.9842059 0.050245 0.1401556 -0.2214336 0.155385 0.0007261 0.2618287 0.0233478 0.5019807 0.1326961 0.1231408 -0.0603966 0.1673895 0.0675842 0.0308248 -0.1136434 0.025731 0.0489856 -0.1449155 -0.0582056 0.0294143 0.0185325 -0.0469312 0.0278802 0.0322851 0.0295661 -0.0261646 -0.1568366 -0.0188127 0.0791558 -0.0013856 0.0291437 -0.0416033 -0.0264961 -0.0420426 -0.0909049 0.5453176 -0.0018922 0.019037 -0.0748909 0.6206613 -0.0130203 0.395404 0.1127505 0.6453564 1.6609521 0.444435 0.5001946 0.6616384 0.7529364 -0.376603 0.1865974 -0.4921001 1.2205629 -0.2184701 0.0637986 -0.2557468 0.0720999 -0.174731 0.1139425 -0.0863658 0.3035471 -0.7420713 0.896339 0.6116898 -0.0977324 0.6130184 0.517185 -0.3080838 0.0456295 -0.2571967 0.759724 -0.2615819 0.0036096 0.1530126 0.0207483 -0.10904 -0.052095 0.205765 -0.0396909 -0.3413115 -0.3875756 -0.1707054 -0.0490145 -0.1261949 -0.1983631 -0.0422795 -0.0132927 -0.0339399 -0.1065094 0.3572875 0.1323417 0.0167872 0.2030066 0.0789664 0.0439875 -0.0968606 -0.0190433 -0.0598224 0.6680366 0.5211914 0.291659 0.5985247 0.5146975 0.3910836 0.3586323 0.4161118 0.3988167 0.2894619 0.0064125 -0.2676559 -0.0356809 0.1934919 0.4164602 -0.4277578 0.3932528 1.0436507 0.0022176 -0.0458273 -0.0558921 -0.0276373 0.0460375 0.1022714 -0.1202171 0.0114095 -0.1439909 -0.1871128 -0.0766551 -0.0678531 -0.103363 -0.2373728 -0.1986009 -0.0560521 -0.2011288 -0.3761527 -0.0486455 -0.093317 0.0475627 -0.1083254 -0.0705962 -0.0264607 0.0983065 -0.0301898 -0.0387723 -0.1303309 -0.0017439 0.007388 -0.043819 0.0080754 -0.0018038 0.0172754 -0.012087 -0.1219712 -0.0470805 0.051761 -0.0040274 0.0246345 0.1289717 -0.0501932 0.0302465 -0.0388961 -0.1237959 0.0445326 -0.0870797 0.030611 -0.0813664 -0.010123 -0.0311764 0.0064674 -0.0372578 -0.1288999 -0.0017552 0.0088027 0.0134236 0.028146 -0.0135473 -0.0137021 0.0074451 -0.0201534 -0.135443 0.0668581 -0.0660595 0.099215 -0.0698845 0.0231584 0.0279061 0.0910377 0.0263109 0.0555144 0.0940422 0.0107338 0.0170165 0.027364 0.0021258 -0.0485103 0.0170564 -0.0861897 -0.0713195 -0.1058912 0.0384044 -0.1130533 0.0303601 0.0664647 -0.0181768 -0.1169096 0.0042698 0.0269284 -0.0417374 -0.023193 0.0777864 -0.0348278 0.0532355 0.0393004 0.0715383 0.0066423 0.0778581 0.0828603 0.013547 -0.016011 0.0215551 -0.1292598 0.0074681 0.0130313 0.0472096 0.0354186 -0.0337925 0.0187484 -0.132596 0.0225837 0.0501678 -0.0014393 -0.146207 -0.0101728 -0.0351716 -0.0431989 0.1610515 0.0452672 0.0358609 -0.0751127 -0.00167 -0.030964 -0.0581395 -0.0376147 -0.0013221 -0.0761155 -0.0099289 -0.1118594 0.0372977 -0.0087989 0.0276279 -0.0143162 0.0420009 0.1177525 -0.0398946 -0.027154 -0.0746177 0.060886 -0.029998 -0.0511319 -0.0359207 0.0732594 0.1326788 0.0105814 0.0151571 0.0121892 0.0920878 -0.0403231 0.0196023 -0.0409597 0.0167112 -0.0309952 0.0080932 0.0916641 0.0090546 0.0856368 -0.0346668 0.0554957 0.0121403 -0.0137905 0.0668212 0.0703133 -0.064702 0.0524536 -0.0544454 0.0374024 -0.0041748 0.0090686 0.0045653 -0.0002498 -0.0413574 -0.0561778 -0.0644412 0.0030444 -0.0200285 -0.047666 -0.0038724 0.0702263 0.051175 -0.0316831 0.0330693 -0.0362753 0.1164716 -0.0055897 0.0356492 -0.0053907 0.0893313 0.0102055 0.0706424 -0.0069957 0.0847188 0.061624 0.0142134 -0.0131014 0.0344107 0.1062709 0.0800181 -0.0413794 0.0010081 -0.0327996 -0.0874883 0.0250872 0.0004722 0.0343361 0.1112602 0.0516308 -0.0207914 -0.0027266 -0.0440572 -0.1067519 0.0369403 -0.0031602 0.0414999 0.1217054 -0.0715649 0.063214 -0.0274736 0.0864443 0.0090519 0.0287264 -0.0363782 0.0233044 0.1253895 -0.0940981 -0.0761771 -0.0095417 -0.0753686 0.0405658 0.0084478 -0.0104455 0.0107789 0.1330934 339.93515|55.8608866|238.8204685|5.9968054|4.3046649|248.4458898 -0.000000042 -0.000000522 0.000000608 -0.000000174 0.000000763 -0.000000286 0.000007658 0.000005354 0.000003544 -0.000000811 -0.000002775 0.000001241 -0.000004053 -0.000004305 -0.000000818 -0.000002487 0.000006641 0.000004523 -0.000008587 -0.000007443 -0.000004495 0.000000220 0.000001952 -0.000003834 -0.000000017 -0.000001712 -0.000006111 -0.000000776 -0.000007341 -0.000003709 0.000015281 0.000003013 0.000001676 -0.000008282 -0.000000723 0.000000281 -0.000010095 -0.000001339 -0.000006082 -0.000000493 0.000002690 0.000003486 0.000008058 0.000003196 0.000000171 0.000005948 0.000000388 -0.000000151 -0.000003582 0.000000777 0.000006446 0.000002678 0.000000925 -0.000001121 0.000005511 0.000002966 0.000005766 -0.000000082 -0.000001482 -0.000002479 -0.000000444 0.000000488 -0.000000108 -0.000001233 0.000000075 -0.000001021 0.000000299 -0.000001136 -0.000001371 -0.000000638 0.000000651 -0.000000173 -0.000002091 -0.000000232 -0.000000375 0.000000032 -0.000001640 0.000000487 0.000001107 -0.000000465 -0.000002117 0.000001079 -0.000002132 0.000000929 -0.000000119 -0.000000945 0.000001993 0.000000571 0.000000278 0.000001962 -0.000000829 -0.000000844 0.000002987 0.000000066 0.000003022 0.000001799 -0.000000128 0.000001607 0.000001041 -0.000001216 -0.000000784 -0.000000364 -0.000001089 -0.000000232 -0.000000030 0.000000340 -0.000000148 -0.000001172 -0.000000742 0.000000731 -0.000000280 -0.000000545 0.000000360 -0.000001029 0.000000179 0.000000315 0.000000353 -0.000000648 -0.000000661 -0.000001127 -0.000000763 0.000000604 0.000000892 0.000000280 -0.000000180 -0.000000589 0.000000438 0.000000790 -0.000000417 0.000000223 -0.000000545 -0.000000927 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3718,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; Gaussian 16 11-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C20H19Cl2NO2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3719,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction oxaziclomefone CONF11 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 705 A 680 A 680 1086 705 98 98 2423.7716076830 44 44 44 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 -0.0537868560 0.000000 5.424327 0.000000 7.079899 5.166331 0.000000 8.166929 7.198644 4.036370 0.000000 6.270092 5.369507 2.354459 2.306369 0.000000 5.286461 5.242409 3.658444 2.891619 1.495310 0.000000 4.022627 4.027325 3.840209 4.324347 2.446901 1.539290 0.000000 6.061768 5.511377 4.691658 2.840143 2.515715 1.547512 2.465809 0.000000 5.358967 6.568650 4.554217 3.300018 2.467540 1.538175 2.574437 2.518451 0.000000 6.131784 5.315364 1.425971 3.496330 1.447590 2.542804 2.877264 3.847274 3.204142 0.000000 7.626491 6.424928 2.817638 1.221622 1.393709 2.538058 3.758988 2.998995 3.199378 2.369076 0.000000 8.574524 6.799800 2.369440 2.384941 2.417501 3.839737 4.800064 4.388455 4.520754 2.642282 1.493352 0.000000 8.297253 6.143308 1.360922 3.576077 2.729137 4.209582 4.766688 4.980950 5.046231 2.316662 2.464421 1.359486 0.000000 4.523000 2.719580 3.647120 4.813514 2.908905 2.531152 1.401208 3.049626 3.863465 3.193283 4.120050 4.886821 4.606681 0.000000 2.722381 4.526421 4.863891 5.453280 3.617177 2.568564 1.394243 3.482841 2.914402 3.781730 4.942607 5.994887 5.913883 2.409394 0.000000 10.012523 8.112189 3.735933 2.875185 3.779711 5.089884 6.190381 5.395860 5.621528 4.092644 2.559231 1.484731 2.484742 6.281031 7.394264 0.000000 1.757871 3.995412 5.566435 6.706669 4.743727 3.840595 2.410881 4.609449 4.307217 4.704160 6.111174 7.030069 6.746619 2.765155 1.394147 8.475011 0.000000 3.999006 1.756927 4.550991 6.199115 4.230101 3.811864 2.412950 4.293541 4.985200 4.245543 5.470370 6.119235 5.645855 1.386505 2.769520 7.530280 2.376193 0.000000 9.406692 6.686114 2.355999 4.897771 4.192344 5.649422 6.051192 6.356001 6.528909 3.630297 3.881210 2.560886 1.493412 5.671369 7.178885 3.059825 7.859571 6.525400 0.000000 2.715558 2.717371 5.461821 7.055040 5.023877 4.359404 2.821377 4.971932 5.198103 4.928335 6.364256 7.114510 6.660525 2.430160 2.433758 8.565312 1.387595 1.393353 7.596789 0.000000 10.687204 8.540355 4.788721 2.953835 4.442049 5.543017 6.724106 5.453795 6.145839 5.091635 3.115368 2.519390 3.588811 6.759185 7.997253 1.401853 9.098605 8.041333 4.090672 9.149291 0.000000 10.872230 9.148713 4.365735 4.053665 4.804772 6.164450 7.232462 6.647815 6.506554 4.800763 3.696356 2.499495 3.109692 7.374135 8.343104 1.401276 9.413715 8.571351 3.269686 9.544847 2.408690 0.000000 12.058162 9.861759 6.054684 4.158184 5.806126 6.880048 8.102398 6.723250 7.377270 6.407936 4.453037 3.794759 4.779491 8.145210 9.362218 2.426144 10.482768 9.420792 5.018184 10.539786 1.391876 2.777691 0.000000 12.225384 10.395174 5.729196 5.004458 6.092030 7.393654 8.532305 7.727113 7.684386 6.182963 4.881715 3.786330 4.434707 8.665242 9.662576 2.432311 10.760360 9.879664 4.377602 10.887586 2.787513 1.393400 2.409386 0.000000 12.774420 10.720102 6.456493 5.051239 6.518293 7.707448 8.919301 7.763585 8.072950 6.878033 5.192546 4.295796 5.128493 9.008245 10.123548 2.811294 11.248553 10.263469 5.142991 11.341777 2.418954 2.413129 1.395137 1.393314 0.000000 6.960152 6.540399 5.137697 2.292002 2.875267 2.189831 3.432101 1.085842 2.687437 4.295956 2.883375 4.321205 5.178045 4.083140 4.379848 5.082990 5.592558 5.363276 6.565663 6.036672 4.982536 6.321741 6.147725 7.279439 7.208184 0.000000 6.489925 4.943971 4.519547 3.050486 2.702113 2.187937 2.763289 1.091363 3.470668 3.988506 3.084353 4.259032 4.740268 2.810887 3.969538 5.240305 4.896633 4.026573 5.979312 4.953290 5.189480 6.571626 6.469664 7.626525 7.586369 1.767196 0.000000 5.564510 5.566814 5.557142 3.868701 3.432267 2.155956 2.589173 1.092480 2.827408 4.634178 4.063224 5.459713 5.983716 3.251529 3.252144 6.485789 4.266244 4.265173 7.351360 4.721139 6.517429 7.726871 7.761053 8.804748 8.823615 1.780674 1.768931 0.000000 6.441268 7.375827 4.795500 2.687877 2.659608 2.146737 3.494143 2.767004 1.090566 3.539812 2.885241 4.219106 5.000789 4.659197 3.992416 5.090901 5.385905 5.885326 6.485024 6.221248 5.529999 5.934406 6.662953 7.006551 7.331410 2.498942 3.705767 3.262071 0.000000 5.087050 6.727062 4.393843 3.955262 2.754612 2.191857 2.830127 3.486133 1.093477 2.969494 3.607022 4.698304 5.031244 4.123091 2.891325 5.862941 4.198324 5.108524 6.459717 5.172660 6.599360 6.569469 7.824384 7.803136 8.367026 3.735975 4.338187 3.789820 1.774536 0.000000 5.016562 6.860430 5.545102 4.096095 3.430457 2.188447 2.881800 2.724854 1.092318 4.201445 4.167730 5.551582 6.088552 4.230855 2.856953 6.615901 4.187317 5.206369 7.569002 5.221755 7.025087 7.539586 8.230435 8.677627 8.990696 2.907054 3.773931 2.605133 1.766543 1.774616 0.000000 6.603683 6.361879 2.043210 3.677876 2.115154 3.139411 3.678646 4.500651 3.309075 1.100063 2.650299 2.772709 2.603280 4.214511 4.369567 4.039601 5.362732 5.231859 3.846801 5.763225 5.186452 4.481697 6.400035 5.847418 6.685984 4.764926 4.805566 5.288418 3.459819 2.840991 4.355955 0.000000 5.165685 4.715067 2.026512 4.352866 2.095856 2.631740 2.381351 4.042322 3.288631 1.084897 3.306277 3.698447 3.220594 2.697491 3.035874 5.163597 3.783161 3.515347 4.373165 4.014978 6.125756 5.863166 7.461343 7.250598 7.956188 4.693019 4.215759 4.621032 3.916277 2.907982 4.124644 1.791080 0.000000 5.604192 2.848954 3.234016 4.350636 2.677020 2.718191 2.158067 2.989280 4.217256 3.107078 3.637350 4.249291 3.976692 1.081456 3.393137 5.565603 3.846364 2.141612 4.961581 3.403104 5.951392 6.718451 7.319463 7.958556 8.223380 3.912525 2.429181 3.453028 4.812357 4.581402 4.728583 4.193171 2.937529 0.000000 2.830303 5.605841 5.403614 5.561577 3.952685 2.804041 2.163967 3.753431 2.542579 4.148438 5.177865 6.317896 6.378172 3.401149 1.079964 7.652607 2.136045 3.848969 7.717302 3.396256 8.272546 8.533169 9.596012 9.825016 10.308653 4.464895 4.473849 3.459882 3.616263 2.397302 2.255850 4.498993 3.502497 4.305206 0.000000 9.227996 5.980954 2.511447 5.464705 4.498901 5.851865 6.009117 6.504075 6.906913 3.920372 4.416576 3.292843 2.112586 5.391153 7.136929 3.939200 7.649578 6.072524 1.093919 7.201843 4.793701 4.308867 5.758279 5.363477 6.008849 6.857454 5.996657 7.432907 7.002434 6.862004 7.892487 4.366584 4.461078 4.642409 7.804068 0.000000 9.642623 7.268161 2.724498 5.586061 4.755751 6.210680 6.561649 7.096400 6.926437 3.920264 4.533088 3.217052 2.139367 6.276055 7.558808 3.658431 8.205830 7.052326 1.094245 8.002570 4.845232 3.488903 5.664772 4.561643 5.551033 7.311739 6.827076 8.070668 6.895308 6.691880 7.990838 3.900963 4.588946 5.696553 8.032797 1.760423 0.000000 10.331207 7.447026 3.291600 4.990973 4.771757 6.233830 6.796373 6.754088 7.100742 4.453356 4.165273 2.733522 2.148443 6.422439 7.996435 2.684128 8.744347 7.347320 1.087576 8.482827 3.520148 2.785628 4.238561 3.654328 4.299515 6.826088 6.325604 7.795573 6.918295 7.134116 8.138508 4.620537 5.293787 5.614816 8.511112 1.783581 1.777427 0.000000 2.866696 2.866451 6.309734 8.117409 6.068435 5.440002 3.902087 6.006974 6.248842 5.884473 7.403930 8.086146 7.540245 3.410669 3.415339 9.539079 2.157243 2.161432 8.366002 1.080711 10.132438 10.495950 11.519650 11.843115 12.314265 7.079031 5.935685 5.699672 7.284856 6.176521 6.224974 6.704994 4.932431 4.295344 4.286756 7.880468 8.733476 9.275118 0.000000 10.231952 7.975584 4.829845 2.554624 4.142107 5.057468 6.219320 4.717481 5.797359 5.033913 2.895960 2.728090 3.804964 6.204484 7.529637 2.149833 8.611440 7.491464 4.479401 8.626580 1.081725 3.389505 2.148829 3.869139 3.398449 4.243978 4.356883 5.744779 5.241799 6.396934 6.584503 5.313937 5.990165 5.368300 7.851657 5.003815 5.365327 4.036625 9.608470 0.000000 10.569203 9.093971 4.051454 4.496959 4.805748 6.203457 7.159158 6.922802 6.456643 4.493381 3.925506 2.693586 2.958882 7.342385 8.166408 2.149801 9.190572 8.469372 3.050972 9.354475 3.391121 1.084633 3.862206 2.149786 3.394888 6.701813 6.918741 7.975437 5.974266 6.338568 7.525948 4.010982 5.499260 6.787440 8.329471 4.144465 2.944570 2.838423 10.275658 4.284882 0.000000 12.652011 10.327841 6.905368 4.664646 6.479728 7.421965 8.657763 7.049659 7.952297 7.227024 5.135793 4.663004 5.670388 8.667563 9.938767 3.404705 11.057600 9.940951 5.918359 11.089491 2.145533 3.862059 1.084385 3.393326 2.152738 6.407127 6.741567 8.032891 7.216602 8.507059 8.721992 7.297088 8.252950 7.809713 10.182391 6.560633 6.637603 5.113416 12.065856 2.469649 4.946544 0.000000 12.930065 11.219246 6.388677 5.960669 6.927733 8.250841 9.360714 8.687814 8.449397 6.865025 5.784764 4.647988 5.144994 9.520608 10.433874 3.410658 11.518647 10.702241 4.929465 11.669272 3.871851 2.149329 3.395126 1.084388 2.153532 8.249951 8.628559 9.759898 7.769442 8.466695 9.457506 6.413210 7.907184 8.851152 10.559286 5.934593 4.894084 4.235459 12.608073 4.953434 2.471978 4.293580 0.000000 13.844770 11.750544 7.523852 6.031827 7.588482 8.748721 9.983628 8.746368 9.074064 7.957330 6.249384 5.380019 6.187979 10.071985 11.186754 3.895531 12.322562 11.327419 6.104972 12.416474 3.401168 3.397241 2.155178 2.153572 1.084239 8.138814 8.565394 9.791107 8.288686 9.379420 9.967060 7.738200 9.036487 9.272115 11.352804 6.948047 6.463088 5.202435 13.388327 4.293547 4.292069 2.482772 2.484766 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.902,-1.1895,-1.1002;-3.4336,3.019,1.2701;.7073,1.3389,-1.3224;1.9766,-1.7209,.9837;.2626,-.6256,-.1033;-.851,-1.466,.4351;-2.1556,-.6664,.2682;-.6924,-1.713,1.9545;-.8579,-2.8149,-.3041;.0968,.0512,-1.3721;1.5993,-.8368,.2299;2.5291,.179,-.3478;2.0184,1.2786,-.9629;-2.2085,.6461,.756;-3.2993,-1.2233,-.3026;3.9845,.0326,-.0935;-4.4708,-.471,-.3753;-3.3871,1.3705,.6642;2.7261,2.5529,-1.2881;-4.5413,.8305,.1007;4.4858,-.1771,1.1988;4.8924,.1073,-1.1583;5.856,-.2878,1.4168;6.2644,-.0011,-.9403;6.751,-.1978,.3504;.1282,-2.3937,2.1602;-.5066,-.7763,2.4827;-1.6256,-2.1379,2.3315;.12,-3.2804,-.1762;-1.0485,-2.6886,-1.3734;-1.6111,-3.4916,.1058;.5748,-.5054,-2.1918;-.9538,.2097,-1.5917;-1.326,1.1042,1.1815;-3.3013,-2.2298,-.6941;2.1084,3.3892,-.9481;2.8469,2.6605,-2.3703;3.7037,2.6029,-.8141;-5.4545,1.4047,.0345;3.7959,-.2626,2.0276;4.5153,.2428,-2.1661;6.2267,-.4468,2.4234;6.9497,.0589,-1.7785;7.8175,-.2871,.5239; 0.4083532 0.0897167 0.0828327 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= 680 RedAO= T EigKep= 1.14D-06 NBF= 680 NBsUse= 677 1.00D-06 EigRej= 4.48D-07 NBFU= 677 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= 684 684 684 684 684 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1899.52855502667 -1899.52855502656 0.000000000106 -1899.52855503 2 1.893128993349e+03 -9.312345164092e+03 3.095969794889e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323613418 LenY= 11323115688 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. PT596.500S 2024-09-11T21:23:07.000 -101.56841 -101.56685 -19.18134 -19.09718 -14.35188 -10.28452 -10.27838 -10.26380 -10.26120 -10.26046 -10.25138 -10.21752 -10.20982 -10.20537 -10.20259 -10.18988 -10.18941 -10.18537 -10.17779 -10.17709 -10.17700 -10.17627 -10.17499 -10.17338 -10.16809 -9.48297 -9.48144 -7.24761 -7.24609 -7.23779 -7.23743 -7.23626 -7.23588 -1.10915 -1.04927 -0.95406 -0.92375 -0.88757 -0.86684 -0.85378 -0.82349 -0.81242 -0.76866 -0.75853 -0.75460 -0.74968 -0.72683 -0.70932 -0.69852 -0.66242 -0.62690 -0.61865 -0.61415 -0.60868 -0.58081 -0.55518 -0.54414 -0.54197 -0.52694 -0.51665 -0.50865 -0.48801 -0.47281 -0.46895 -0.46790 -0.45749 -0.45453 -0.44819 -0.44378 -0.43881 -0.43637 -0.42553 -0.42417 -0.41632 -0.41382 -0.41310 -0.41036 -0.40252 -0.39285 -0.39053 -0.38333 -0.37699 -0.37153 -0.36576 -0.36398 -0.35536 -0.35147 -0.34667 -0.33455 -0.33112 -0.32743 -0.27887 -0.27606 -0.27056 -0.26682 -0.26254 -0.25438 -0.23436 -0.04912 -0.04701 -0.04374 -0.01848 -0.01436 -0.01320 -0.00894 0.00054 0.00818 0.01108 0.01620 0.01740 0.02241 0.02620 0.02911 0.03554 0.03999 0.04175 0.04363 0.04998 0.05027 0.05472 0.05889 0.06108 0.06455 0.06781 0.06935 0.07297 0.07899 0.07954 0.08500 0.08668 0.08914 0.09384 0.09568 0.09946 0.10315 0.10437 0.10666 0.10705 0.11235 0.11366 0.11555 0.12162 0.12309 0.12541 0.12723 0.12814 0.13192 0.13410 0.13789 0.13875 0.14537 0.14734 0.15029 0.15082 0.15380 0.15489 0.15814 0.16166 0.16559 0.16785 0.16994 0.17095 0.17324 0.17604 0.17909 0.18236 0.18414 0.18667 0.18971 0.19297 0.19479 0.19515 0.19608 0.20058 0.20302 0.20471 0.20911 0.21078 0.21167 0.21294 0.21793 0.22034 0.22245 0.22478 0.22694 0.23014 0.23491 0.23700 0.23727 0.24129 0.24214 0.24796 0.24849 0.25002 0.25181 0.25521 0.25808 0.26290 0.26574 0.26866 0.27134 0.27264 0.27783 0.28056 0.28303 0.28481 0.28767 0.29052 0.29464 0.29562 0.29748 0.30331 0.30396 0.30609 0.31024 0.31370 0.31637 0.32071 0.32341 0.32836 0.33011 0.33762 0.34113 0.34433 0.35144 0.35598 0.35954 0.36411 0.36752 0.37241 0.37762 0.38067 0.38995 0.40008 0.40296 0.40629 0.41123 0.41558 0.42142 0.42408 0.43058 0.43608 0.44473 0.44694 0.45581 0.46447 0.46597 0.47031 0.47270 0.47931 0.48722 0.49350 0.49838 0.50888 0.51595 0.52137 0.52955 0.53369 0.53771 0.54145 0.54445 0.55162 0.55351 0.56238 0.56475 0.56569 0.57375 0.57463 0.57861 0.58361 0.58739 0.59207 0.59548 0.60410 0.60693 0.61156 0.61872 0.62057 0.62357 0.62761 0.63930 0.64197 0.64823 0.65411 0.65475 0.66122 0.66629 0.67539 0.67996 0.68098 0.68150 0.68827 0.68988 0.69233 0.69863 0.70522 0.70688 0.71297 0.71905 0.72212 0.72690 0.73217 0.73284 0.73826 0.74343 0.74448 0.74656 0.75198 0.75705 0.76156 0.76410 0.76663 0.77251 0.78355 0.79661 0.80618 0.81020 0.81526 0.82416 0.83110 0.83457 0.83842 0.84084 0.84603 0.85125 0.85476 0.85882 0.86082 0.86591 0.87090 0.87246 0.87439 0.88158 0.88391 0.89603 0.90317 0.91592 0.91691 0.92577 0.92996 0.93849 0.94536 0.95338 0.95695 0.95971 0.96518 0.96882 0.97682 0.98679 0.99787 1.00111 1.01267 1.01659 1.02909 1.04922 1.05060 1.05722 1.06368 1.07178 1.08012 1.08392 1.08996 1.09237 1.09797 1.11002 1.12424 1.13299 1.14039 1.15476 1.16154 1.16450 1.17377 1.18969 1.20315 1.21283 1.22004 1.23086 1.23817 1.24158 1.26032 1.27388 1.28423 1.29177 1.29446 1.31299 1.31454 1.32729 1.33494 1.33594 1.35367 1.36032 1.38425 1.39679 1.40621 1.42586 1.42927 1.43701 1.45578 1.46392 1.48178 1.48622 1.49152 1.50441 1.50552 1.51284 1.51780 1.52754 1.52881 1.54077 1.54512 1.54899 1.55337 1.56824 1.57224 1.57353 1.57940 1.59127 1.59491 1.59787 1.60612 1.61498 1.61906 1.63070 1.63237 1.64452 1.65061 1.65951 1.66253 1.66569 1.66922 1.67913 1.69251 1.69624 1.70454 1.71034 1.71913 1.72830 1.73543 1.74157 1.75263 1.76357 1.76952 1.77287 1.78692 1.79751 1.80501 1.80972 1.81629 1.82472 1.82528 1.83164 1.84366 1.85659 1.85689 1.86675 1.88032 1.90114 1.90454 1.91701 1.92214 1.92633 1.93302 1.93921 1.94957 1.95352 1.96146 1.96349 1.97764 1.97828 1.98115 1.99031 1.99926 2.00528 2.01408 2.01913 2.02456 2.03593 2.04511 2.04916 2.05488 2.06727 2.09356 2.09630 2.10280 2.14916 2.15078 2.16216 2.16656 2.18979 2.20835 2.21598 2.22857 2.23547 2.25127 2.26261 2.26612 2.27220 2.29046 2.30029 2.31526 2.32590 2.33646 2.35303 2.35593 2.37254 2.40094 2.40574 2.41203 2.41660 2.42794 2.43664 2.44062 2.45699 2.46400 2.46474 2.49221 2.50048 2.51062 2.51634 2.52706 2.53642 2.54266 2.54726 2.55362 2.56235 2.58322 2.59456 2.59722 2.60761 2.61752 2.62790 2.63514 2.64515 2.64795 2.65432 2.66386 2.67514 2.68811 2.69770 2.70603 2.71071 2.71763 2.72719 2.73777 2.74024 2.74528 2.75700 2.76228 2.76785 2.77543 2.78245 2.79580 2.80275 2.80870 2.81708 2.82275 2.82833 2.83924 2.85087 2.86239 2.86673 2.87346 2.89051 2.91272 2.92326 2.93406 2.93932 2.94850 2.95497 2.96264 2.96722 2.97844 2.98325 3.00700 3.01859 3.02416 3.06026 3.07867 3.09662 3.10342 3.13014 3.13258 3.16549 3.17540 3.19257 3.21341 3.22066 3.23118 3.24906 3.26186 3.27243 3.31026 3.34982 3.36877 3.37921 3.39061 3.39756 3.41778 3.42976 3.45415 3.51170 3.53445 3.54643 3.58327 3.60194 3.63322 3.63789 3.69684 3.70595 3.73403 3.77992 3.79185 3.81451 3.81881 3.83016 3.83937 3.84879 3.86915 3.88313 3.93019 3.99566 4.00459 4.02599 4.04793 4.10487 4.11782 4.15621 4.16536 4.17559 4.21928 4.25637 4.32030 4.41187 4.43655 4.83229 4.85236 4.87572 4.97563 5.10853 5.14788 5.34217 5.43930 5.74854 5.83580 9.76665 9.79115 23.51018 23.62374 23.74473 23.77864 23.84815 23.86515 23.90755 23.94446 23.95713 23.96457 23.97079 23.98583 24.00393 24.05513 24.05587 24.05933 24.10289 24.14141 24.15682 24.20065 25.82676 25.84372 26.10527 26.20874 26.61362 26.64325 35.57810 49.94590 50.06976 215.75687 215.78630 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.427822 0.440206 0.072582 -0.229077 0.289490 0.144675 -0.450897 -0.588164 -0.243124 -0.363810 -1.140593 2.280121 -0.749717 -0.842688 -0.949797 0.681625 0.682670 0.499006 -0.695939 -0.574957 -0.220251 -0.927465 -0.108573 -0.187993 -0.252947 0.203432 0.148931 0.144017 0.192785 0.144668 0.152998 0.168582 0.233330 0.160708 0.151889 0.164587 0.174790 0.179710 0.167248 0.135176 0.112688 0.124281 0.123219 0.124757 -0.00000 0.2516 0.5744 -1.7509 1.8598 -164.7807 -165.1515 -158.1423 8.6734 -3.9497 0.3225 -2.0892 -2.4600 4.5492 8.6734 -3.9497 0.3225 65.7536 8.2224 -5.3942 -27.1478 27.2374 -6.0591 17.2948 1.2530 -8.9065 -0.3288 -13230.8558 -2308.4833 -1187.8400 -132.9267 -3.0670 67.5631 13.6664 17.0809 -2.2396 -2795.0844 -2415.8045 -601.4279 -48.2733 -12.7539 10.3321 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES ALCAMI 2024-09-11T00:00:00.000 0 Wavefunction oxaziclomefone CONF11 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1899.528555 RMSD=3.565e-10 Dipole=-0.2471732,0.6314028,-0.2749803 Quadrupole=-1.267222,1.613269,-0.346047,-3.8361986,6.3260853,1.400567 PG=C01 [X(C20H19Cl2N1O2)] 0 5.1381657182 2.6831048032 1.8251713859 0 3.9221435586 -0.3660980639 -2.4930425089 0 -0.9295765829 1.0670863837 -1.4452968664 0 -1.9209894176 -1.4164158979 1.5782115318 0 -0.4292283046 0.0611067486 0.6237935542 0 0.6727561485 -0.1386741689 1.6145863747 0 1.9771335295 0.350579814 0.9598773982 0 0.8886492097 -1.6384533347 1.928982469 0 0.3174801525 0.6092714194 2.9108653877 0 -0.5189055278 1.3106013105 -0.1016290959 0 -1.6473378125 -0.6117325745 0.7007382883 0 -2.5619489256 -0.3293342231 -0.4454899942 0 -2.0975196938 0.3718499583 -1.5135951745 0 2.3192022445 -0.1384175485 -0.3078975818 0 2.8524978032 1.2200812802 1.6091984116 0 -3.9062878346 -0.9595342889 -0.4507134662 0 4.0482380437 1.584215386 0.9917382744 0 3.5132817273 0.2467105844 -0.8980219171 0 -2.7011741819 0.4638247788 -2.8764672481 0 4.4027395669 1.1116244793 -0.2638118065 0 -4.0732458873 -2.3330391332 -0.2253226365 0 -5.0449697191 -0.1783815404 -0.6889935304 0 -5.3410756739 -2.90647594 -0.258421595 0 -6.314221604 -0.7522240011 -0.7246049283 0 -6.4659183647 -2.1206073484 -0.5105073213 0 0.0724349797 -2.0386904607 2.5228322309 0 0.9660254078 -2.2206076439 1.0091008968 0 1.8275688251 -1.7415603281 2.4779005564 0 -0.6427773721 0.2364805472 3.2690073199 0 0.2352496767 1.6870734449 2.745723365 0 1.061337798 0.4328049966 3.6910540356 0 -1.2606258413 1.986511636 0.3490751724 0 0.4485874158 1.7988581406 -0.1522678564 0 1.6434093508 -0.7956265085 -0.8379242394 0 2.6263216281 1.623146479 2.5852646605 0 -1.9166965854 0.2802403232 -3.6164338764 0 -3.0871050426 1.4713228432 -3.0591598249 0 -3.5061113148 -0.2553021213 -3.0097089549 0 5.3307782679 1.4049182866 -0.7335561791 0 -3.2064643468 -2.9449526555 -0.0146573416 0 -4.9314254459 0.8898663242 -0.8386006779 0 -5.451703549 -3.9711691992 -0.0849828262 0 -7.1823407991 -0.1294240444 -0.9100416422 0 -7.4521269689 -2.5705610794 -0.5330436573 Gaussian 16 11-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C20H19Cl2NO2)] 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 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3719,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum oxaziclomefone CONF11 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 705 A 680 A 680 1086 705 98 98 2423.7716076830 44 44 44 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 -0.0537868560 0.000000 5.424327 0.000000 7.079899 5.166331 0.000000 8.166929 7.198644 4.036370 0.000000 6.270092 5.369507 2.354459 2.306369 0.000000 5.286461 5.242409 3.658444 2.891619 1.495310 0.000000 4.022627 4.027325 3.840209 4.324347 2.446901 1.539290 0.000000 6.061768 5.511377 4.691658 2.840143 2.515715 1.547512 2.465809 0.000000 5.358967 6.568650 4.554217 3.300018 2.467540 1.538175 2.574437 2.518451 0.000000 6.131784 5.315364 1.425971 3.496330 1.447590 2.542804 2.877264 3.847274 3.204142 0.000000 7.626491 6.424928 2.817638 1.221622 1.393709 2.538058 3.758988 2.998995 3.199378 2.369076 0.000000 8.574524 6.799800 2.369440 2.384941 2.417501 3.839737 4.800064 4.388455 4.520754 2.642282 1.493352 0.000000 8.297253 6.143308 1.360922 3.576077 2.729137 4.209582 4.766688 4.980950 5.046231 2.316662 2.464421 1.359486 0.000000 4.523000 2.719580 3.647120 4.813514 2.908905 2.531152 1.401208 3.049626 3.863465 3.193283 4.120050 4.886821 4.606681 0.000000 2.722381 4.526421 4.863891 5.453280 3.617177 2.568564 1.394243 3.482841 2.914402 3.781730 4.942607 5.994887 5.913883 2.409394 0.000000 10.012523 8.112189 3.735933 2.875185 3.779711 5.089884 6.190381 5.395860 5.621528 4.092644 2.559231 1.484731 2.484742 6.281031 7.394264 0.000000 1.757871 3.995412 5.566435 6.706669 4.743727 3.840595 2.410881 4.609449 4.307217 4.704160 6.111174 7.030069 6.746619 2.765155 1.394147 8.475011 0.000000 3.999006 1.756927 4.550991 6.199115 4.230101 3.811864 2.412950 4.293541 4.985200 4.245543 5.470370 6.119235 5.645855 1.386505 2.769520 7.530280 2.376193 0.000000 9.406692 6.686114 2.355999 4.897771 4.192344 5.649422 6.051192 6.356001 6.528909 3.630297 3.881210 2.560886 1.493412 5.671369 7.178885 3.059825 7.859571 6.525400 0.000000 2.715558 2.717371 5.461821 7.055040 5.023877 4.359404 2.821377 4.971932 5.198103 4.928335 6.364256 7.114510 6.660525 2.430160 2.433758 8.565312 1.387595 1.393353 7.596789 0.000000 10.687204 8.540355 4.788721 2.953835 4.442049 5.543017 6.724106 5.453795 6.145839 5.091635 3.115368 2.519390 3.588811 6.759185 7.997253 1.401853 9.098605 8.041333 4.090672 9.149291 0.000000 10.872230 9.148713 4.365735 4.053665 4.804772 6.164450 7.232462 6.647815 6.506554 4.800763 3.696356 2.499495 3.109692 7.374135 8.343104 1.401276 9.413715 8.571351 3.269686 9.544847 2.408690 0.000000 12.058162 9.861759 6.054684 4.158184 5.806126 6.880048 8.102398 6.723250 7.377270 6.407936 4.453037 3.794759 4.779491 8.145210 9.362218 2.426144 10.482768 9.420792 5.018184 10.539786 1.391876 2.777691 0.000000 12.225384 10.395174 5.729196 5.004458 6.092030 7.393654 8.532305 7.727113 7.684386 6.182963 4.881715 3.786330 4.434707 8.665242 9.662576 2.432311 10.760360 9.879664 4.377602 10.887586 2.787513 1.393400 2.409386 0.000000 12.774420 10.720102 6.456493 5.051239 6.518293 7.707448 8.919301 7.763585 8.072950 6.878033 5.192546 4.295796 5.128493 9.008245 10.123548 2.811294 11.248553 10.263469 5.142991 11.341777 2.418954 2.413129 1.395137 1.393314 0.000000 6.960152 6.540399 5.137697 2.292002 2.875267 2.189831 3.432101 1.085842 2.687437 4.295956 2.883375 4.321205 5.178045 4.083140 4.379848 5.082990 5.592558 5.363276 6.565663 6.036672 4.982536 6.321741 6.147725 7.279439 7.208184 0.000000 6.489925 4.943971 4.519547 3.050486 2.702113 2.187937 2.763289 1.091363 3.470668 3.988506 3.084353 4.259032 4.740268 2.810887 3.969538 5.240305 4.896633 4.026573 5.979312 4.953290 5.189480 6.571626 6.469664 7.626525 7.586369 1.767196 0.000000 5.564510 5.566814 5.557142 3.868701 3.432267 2.155956 2.589173 1.092480 2.827408 4.634178 4.063224 5.459713 5.983716 3.251529 3.252144 6.485789 4.266244 4.265173 7.351360 4.721139 6.517429 7.726871 7.761053 8.804748 8.823615 1.780674 1.768931 0.000000 6.441268 7.375827 4.795500 2.687877 2.659608 2.146737 3.494143 2.767004 1.090566 3.539812 2.885241 4.219106 5.000789 4.659197 3.992416 5.090901 5.385905 5.885326 6.485024 6.221248 5.529999 5.934406 6.662953 7.006551 7.331410 2.498942 3.705767 3.262071 0.000000 5.087050 6.727062 4.393843 3.955262 2.754612 2.191857 2.830127 3.486133 1.093477 2.969494 3.607022 4.698304 5.031244 4.123091 2.891325 5.862941 4.198324 5.108524 6.459717 5.172660 6.599360 6.569469 7.824384 7.803136 8.367026 3.735975 4.338187 3.789820 1.774536 0.000000 5.016562 6.860430 5.545102 4.096095 3.430457 2.188447 2.881800 2.724854 1.092318 4.201445 4.167730 5.551582 6.088552 4.230855 2.856953 6.615901 4.187317 5.206369 7.569002 5.221755 7.025087 7.539586 8.230435 8.677627 8.990696 2.907054 3.773931 2.605133 1.766543 1.774616 0.000000 6.603683 6.361879 2.043210 3.677876 2.115154 3.139411 3.678646 4.500651 3.309075 1.100063 2.650299 2.772709 2.603280 4.214511 4.369567 4.039601 5.362732 5.231859 3.846801 5.763225 5.186452 4.481697 6.400035 5.847418 6.685984 4.764926 4.805566 5.288418 3.459819 2.840991 4.355955 0.000000 5.165685 4.715067 2.026512 4.352866 2.095856 2.631740 2.381351 4.042322 3.288631 1.084897 3.306277 3.698447 3.220594 2.697491 3.035874 5.163597 3.783161 3.515347 4.373165 4.014978 6.125756 5.863166 7.461343 7.250598 7.956188 4.693019 4.215759 4.621032 3.916277 2.907982 4.124644 1.791080 0.000000 5.604192 2.848954 3.234016 4.350636 2.677020 2.718191 2.158067 2.989280 4.217256 3.107078 3.637350 4.249291 3.976692 1.081456 3.393137 5.565603 3.846364 2.141612 4.961581 3.403104 5.951392 6.718451 7.319463 7.958556 8.223380 3.912525 2.429181 3.453028 4.812357 4.581402 4.728583 4.193171 2.937529 0.000000 2.830303 5.605841 5.403614 5.561577 3.952685 2.804041 2.163967 3.753431 2.542579 4.148438 5.177865 6.317896 6.378172 3.401149 1.079964 7.652607 2.136045 3.848969 7.717302 3.396256 8.272546 8.533169 9.596012 9.825016 10.308653 4.464895 4.473849 3.459882 3.616263 2.397302 2.255850 4.498993 3.502497 4.305206 0.000000 9.227996 5.980954 2.511447 5.464705 4.498901 5.851865 6.009117 6.504075 6.906913 3.920372 4.416576 3.292843 2.112586 5.391153 7.136929 3.939200 7.649578 6.072524 1.093919 7.201843 4.793701 4.308867 5.758279 5.363477 6.008849 6.857454 5.996657 7.432907 7.002434 6.862004 7.892487 4.366584 4.461078 4.642409 7.804068 0.000000 9.642623 7.268161 2.724498 5.586061 4.755751 6.210680 6.561649 7.096400 6.926437 3.920264 4.533088 3.217052 2.139367 6.276055 7.558808 3.658431 8.205830 7.052326 1.094245 8.002570 4.845232 3.488903 5.664772 4.561643 5.551033 7.311739 6.827076 8.070668 6.895308 6.691880 7.990838 3.900963 4.588946 5.696553 8.032797 1.760423 0.000000 10.331207 7.447026 3.291600 4.990973 4.771757 6.233830 6.796373 6.754088 7.100742 4.453356 4.165273 2.733522 2.148443 6.422439 7.996435 2.684128 8.744347 7.347320 1.087576 8.482827 3.520148 2.785628 4.238561 3.654328 4.299515 6.826088 6.325604 7.795573 6.918295 7.134116 8.138508 4.620537 5.293787 5.614816 8.511112 1.783581 1.777427 0.000000 2.866696 2.866451 6.309734 8.117409 6.068435 5.440002 3.902087 6.006974 6.248842 5.884473 7.403930 8.086146 7.540245 3.410669 3.415339 9.539079 2.157243 2.161432 8.366002 1.080711 10.132438 10.495950 11.519650 11.843115 12.314265 7.079031 5.935685 5.699672 7.284856 6.176521 6.224974 6.704994 4.932431 4.295344 4.286756 7.880468 8.733476 9.275118 0.000000 10.231952 7.975584 4.829845 2.554624 4.142107 5.057468 6.219320 4.717481 5.797359 5.033913 2.895960 2.728090 3.804964 6.204484 7.529637 2.149833 8.611440 7.491464 4.479401 8.626580 1.081725 3.389505 2.148829 3.869139 3.398449 4.243978 4.356883 5.744779 5.241799 6.396934 6.584503 5.313937 5.990165 5.368300 7.851657 5.003815 5.365327 4.036625 9.608470 0.000000 10.569203 9.093971 4.051454 4.496959 4.805748 6.203457 7.159158 6.922802 6.456643 4.493381 3.925506 2.693586 2.958882 7.342385 8.166408 2.149801 9.190572 8.469372 3.050972 9.354475 3.391121 1.084633 3.862206 2.149786 3.394888 6.701813 6.918741 7.975437 5.974266 6.338568 7.525948 4.010982 5.499260 6.787440 8.329471 4.144465 2.944570 2.838423 10.275658 4.284882 0.000000 12.652011 10.327841 6.905368 4.664646 6.479728 7.421965 8.657763 7.049659 7.952297 7.227024 5.135793 4.663004 5.670388 8.667563 9.938767 3.404705 11.057600 9.940951 5.918359 11.089491 2.145533 3.862059 1.084385 3.393326 2.152738 6.407127 6.741567 8.032891 7.216602 8.507059 8.721992 7.297088 8.252950 7.809713 10.182391 6.560633 6.637603 5.113416 12.065856 2.469649 4.946544 0.000000 12.930065 11.219246 6.388677 5.960669 6.927733 8.250841 9.360714 8.687814 8.449397 6.865025 5.784764 4.647988 5.144994 9.520608 10.433874 3.410658 11.518647 10.702241 4.929465 11.669272 3.871851 2.149329 3.395126 1.084388 2.153532 8.249951 8.628559 9.759898 7.769442 8.466695 9.457506 6.413210 7.907184 8.851152 10.559286 5.934593 4.894084 4.235459 12.608073 4.953434 2.471978 4.293580 0.000000 13.844770 11.750544 7.523852 6.031827 7.588482 8.748721 9.983628 8.746368 9.074064 7.957330 6.249384 5.380019 6.187979 10.071985 11.186754 3.895531 12.322562 11.327419 6.104972 12.416474 3.401168 3.397241 2.155178 2.153572 1.084239 8.138814 8.565394 9.791107 8.288686 9.379420 9.967060 7.738200 9.036487 9.272115 11.352804 6.948047 6.463088 5.202435 13.388327 4.293547 4.292069 2.482772 2.484766 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.902,-1.1895,-1.1002;-3.4336,3.019,1.2701;.7073,1.3389,-1.3224;1.9766,-1.7209,.9837;.2626,-.6256,-.1033;-.851,-1.466,.4351;-2.1556,-.6664,.2682;-.6924,-1.713,1.9545;-.8579,-2.8149,-.3041;.0968,.0512,-1.3721;1.5993,-.8368,.2299;2.5291,.179,-.3478;2.0184,1.2786,-.9629;-2.2085,.6461,.756;-3.2993,-1.2233,-.3026;3.9845,.0326,-.0935;-4.4708,-.471,-.3753;-3.3871,1.3705,.6642;2.7261,2.5529,-1.2881;-4.5413,.8305,.1007;4.4858,-.1771,1.1988;4.8924,.1073,-1.1583;5.856,-.2878,1.4168;6.2644,-.0011,-.9403;6.751,-.1978,.3504;.1282,-2.3937,2.1602;-.5066,-.7763,2.4827;-1.6256,-2.1379,2.3315;.12,-3.2804,-.1762;-1.0485,-2.6886,-1.3734;-1.6111,-3.4916,.1058;.5748,-.5054,-2.1918;-.9538,.2097,-1.5917;-1.326,1.1042,1.1815;-3.3013,-2.2298,-.6941;2.1084,3.3892,-.9481;2.8469,2.6605,-2.3703;3.7037,2.6029,-.8141;-5.4545,1.4047,.0345;3.7959,-.2626,2.0276;4.5153,.2428,-2.1661;6.2267,-.4468,2.4234;6.9497,.0589,-1.7785;7.8175,-.2871,.5239; 0.4083532 0.0897167 0.0828327 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= 680 RedAO= T EigKep= 1.14D-06 NBF= 680 NBsUse= 677 1.00D-06 EigRej= 4.48D-07 NBFU= 677 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= 684 684 684 684 684 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1899.52855502667 -1899.52855503 1 1.893128993421e+03 -9.312345164161e+03 3.095969794886e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323613418 LenY= 11323115688 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 4.5135 274.70 0.0559 0.000 96 100 -0.10601 97 99 -0.15769 97 100 0.17843 98 99 0.51257 98 100 -0.33578 -1899.36268794 2 Singlet-A 4.5716 271.21 0.0097 0.000 94 99 -0.17360 94 100 0.17113 95 99 -0.10639 95 100 0.13706 96 100 0.10812 97 99 0.24710 97 100 -0.31205 98 99 0.40941 98 100 0.12351 3 Singlet-A 4.6043 269.28 0.0169 0.000 94 100 -0.12092 97 99 -0.15624 97 100 0.14008 98 99 0.22767 98 100 0.58690 4 Singlet-A 4.7208 262.63 0.0376 0.000 98 101 0.68757 5 Singlet-A 4.9381 251.07 0.0013 0.000 94 100 0.14756 95 99 -0.18265 96 99 -0.16397 96 100 0.25520 97 99 -0.20908 97 100 0.19209 97 101 0.13625 97 102 -0.15586 98 102 -0.27885 98 103 0.29509 6 Singlet-A 4.9582 250.06 0.0038 0.000 92 99 0.10449 92 101 0.16887 93 99 -0.12760 93 101 -0.22666 94 99 -0.22067 95 99 0.26751 95 100 0.29286 96 99 -0.16236 96 100 -0.16493 96 101 0.26024 97 100 0.10212 98 101 -0.13217 7 Singlet-A 5.0701 244.54 0.0049 0.000 94 99 -0.13989 95 99 0.14168 95 100 0.14347 96 99 0.41392 97 99 -0.39250 97 100 -0.27668 8 Singlet-A 5.1281 241.78 0.0546 0.000 93 99 -0.13368 93 100 0.15055 94 99 0.23637 94 100 -0.32115 95 99 0.12379 96 99 -0.19260 96 100 0.38494 97 100 -0.22984 9 Singlet-A 5.1956 238.63 0.1476 0.000 96 99 -0.15545 96 100 0.18171 97 99 -0.18223 97 100 0.17390 97 103 0.13560 98 102 0.53128 10 Singlet-A 5.2333 236.91 0.0756 0.000 95 101 -0.12422 96 101 -0.20568 97 99 0.11926 97 100 -0.17432 97 101 0.37750 97 102 -0.14166 98 102 0.22388 98 103 0.36539 PT22765.300S 2024-09-11T22:12:03.000 -101.56841 -101.56685 -19.18134 -19.09718 -14.35188 -10.28452 -10.27838 -10.26380 -10.26120 -10.26046 -10.25138 -10.21752 -10.20982 -10.20537 -10.20259 -10.18988 -10.18941 -10.18537 -10.17779 -10.17709 -10.17700 -10.17627 -10.17499 -10.17338 -10.16809 -9.48297 -9.48144 -7.24761 -7.24609 -7.23779 -7.23743 -7.23626 -7.23588 -1.10915 -1.04927 -0.95406 -0.92375 -0.88757 -0.86684 -0.85378 -0.82349 -0.81242 -0.76866 -0.75853 -0.75460 -0.74968 -0.72683 -0.70932 -0.69852 -0.66242 -0.62690 -0.61865 -0.61415 -0.60868 -0.58081 -0.55518 -0.54414 -0.54197 -0.52694 -0.51665 -0.50865 -0.48801 -0.47281 -0.46895 -0.46790 -0.45749 -0.45453 -0.44819 -0.44378 -0.43881 -0.43637 -0.42553 -0.42417 -0.41632 -0.41382 -0.41310 -0.41036 -0.40252 -0.39285 -0.39053 -0.38333 -0.37699 -0.37153 -0.36576 -0.36398 -0.35536 -0.35147 -0.34667 -0.33455 -0.33112 -0.32743 -0.27887 -0.27606 -0.27056 -0.26682 -0.26254 -0.25438 -0.23436 -0.04912 -0.04701 -0.04374 -0.01848 -0.01436 -0.01320 -0.00894 0.00054 0.00818 0.01108 0.01620 0.01740 0.02241 0.02620 0.02911 0.03554 0.03999 0.04175 0.04363 0.04998 0.05027 0.05472 0.05889 0.06108 0.06455 0.06781 0.06935 0.07297 0.07899 0.07954 0.08500 0.08668 0.08914 0.09384 0.09568 0.09946 0.10315 0.10437 0.10666 0.10705 0.11235 0.11366 0.11555 0.12162 0.12309 0.12541 0.12723 0.12814 0.13192 0.13410 0.13789 0.13875 0.14537 0.14734 0.15029 0.15082 0.15380 0.15489 0.15814 0.16166 0.16559 0.16785 0.16994 0.17095 0.17324 0.17604 0.17909 0.18236 0.18414 0.18667 0.18971 0.19297 0.19479 0.19515 0.19608 0.20058 0.20302 0.20471 0.20911 0.21078 0.21167 0.21294 0.21793 0.22034 0.22245 0.22478 0.22694 0.23014 0.23491 0.23700 0.23727 0.24129 0.24214 0.24796 0.24849 0.25002 0.25181 0.25521 0.25808 0.26290 0.26574 0.26866 0.27134 0.27264 0.27783 0.28056 0.28303 0.28481 0.28767 0.29052 0.29464 0.29562 0.29748 0.30331 0.30396 0.30609 0.31024 0.31370 0.31637 0.32071 0.32341 0.32836 0.33011 0.33762 0.34113 0.34433 0.35144 0.35598 0.35954 0.36411 0.36752 0.37241 0.37762 0.38067 0.38995 0.40008 0.40296 0.40629 0.41123 0.41558 0.42142 0.42408 0.43058 0.43608 0.44473 0.44694 0.45581 0.46447 0.46597 0.47031 0.47270 0.47931 0.48722 0.49350 0.49838 0.50888 0.51595 0.52137 0.52955 0.53369 0.53771 0.54145 0.54445 0.55162 0.55351 0.56238 0.56475 0.56569 0.57375 0.57463 0.57861 0.58361 0.58739 0.59207 0.59548 0.60410 0.60693 0.61156 0.61872 0.62057 0.62357 0.62761 0.63930 0.64197 0.64823 0.65411 0.65475 0.66122 0.66629 0.67539 0.67996 0.68098 0.68150 0.68827 0.68988 0.69233 0.69863 0.70522 0.70688 0.71297 0.71905 0.72212 0.72690 0.73217 0.73284 0.73826 0.74343 0.74448 0.74656 0.75198 0.75705 0.76156 0.76410 0.76663 0.77251 0.78355 0.79661 0.80618 0.81020 0.81526 0.82416 0.83110 0.83457 0.83842 0.84084 0.84603 0.85125 0.85476 0.85882 0.86082 0.86591 0.87090 0.87246 0.87439 0.88158 0.88391 0.89603 0.90317 0.91592 0.91691 0.92577 0.92996 0.93849 0.94536 0.95338 0.95695 0.95971 0.96518 0.96882 0.97682 0.98679 0.99787 1.00111 1.01267 1.01659 1.02909 1.04922 1.05060 1.05722 1.06368 1.07178 1.08012 1.08392 1.08996 1.09237 1.09797 1.11002 1.12424 1.13299 1.14039 1.15476 1.16154 1.16450 1.17377 1.18969 1.20315 1.21283 1.22004 1.23086 1.23817 1.24158 1.26032 1.27388 1.28423 1.29177 1.29446 1.31299 1.31454 1.32729 1.33494 1.33594 1.35367 1.36032 1.38425 1.39679 1.40621 1.42586 1.42927 1.43701 1.45578 1.46392 1.48178 1.48622 1.49152 1.50441 1.50552 1.51284 1.51780 1.52754 1.52881 1.54077 1.54512 1.54899 1.55337 1.56824 1.57224 1.57353 1.57940 1.59127 1.59491 1.59787 1.60612 1.61498 1.61906 1.63070 1.63237 1.64452 1.65061 1.65951 1.66253 1.66569 1.66922 1.67913 1.69251 1.69624 1.70454 1.71034 1.71913 1.72830 1.73543 1.74157 1.75263 1.76357 1.76952 1.77287 1.78692 1.79751 1.80501 1.80972 1.81629 1.82472 1.82528 1.83164 1.84366 1.85659 1.85689 1.86675 1.88032 1.90114 1.90454 1.91701 1.92214 1.92633 1.93302 1.93921 1.94957 1.95352 1.96146 1.96349 1.97764 1.97828 1.98115 1.99031 1.99926 2.00528 2.01408 2.01913 2.02456 2.03593 2.04511 2.04916 2.05488 2.06727 2.09356 2.09630 2.10280 2.14916 2.15078 2.16216 2.16656 2.18979 2.20835 2.21598 2.22857 2.23547 2.25127 2.26261 2.26612 2.27220 2.29046 2.30029 2.31526 2.32590 2.33646 2.35303 2.35593 2.37254 2.40094 2.40574 2.41203 2.41660 2.42794 2.43664 2.44062 2.45699 2.46400 2.46474 2.49221 2.50048 2.51062 2.51634 2.52706 2.53642 2.54266 2.54726 2.55362 2.56235 2.58322 2.59456 2.59722 2.60761 2.61752 2.62790 2.63514 2.64515 2.64795 2.65432 2.66386 2.67514 2.68811 2.69770 2.70603 2.71071 2.71763 2.72719 2.73777 2.74024 2.74528 2.75700 2.76228 2.76785 2.77543 2.78245 2.79580 2.80275 2.80870 2.81708 2.82275 2.82833 2.83924 2.85087 2.86239 2.86673 2.87346 2.89051 2.91272 2.92326 2.93406 2.93932 2.94850 2.95497 2.96264 2.96722 2.97844 2.98325 3.00700 3.01859 3.02416 3.06026 3.07867 3.09662 3.10342 3.13014 3.13258 3.16549 3.17540 3.19257 3.21341 3.22066 3.23118 3.24906 3.26186 3.27243 3.31026 3.34982 3.36877 3.37921 3.39061 3.39756 3.41778 3.42976 3.45415 3.51170 3.53445 3.54643 3.58327 3.60194 3.63322 3.63789 3.69684 3.70595 3.73403 3.77992 3.79185 3.81451 3.81881 3.83016 3.83937 3.84879 3.86915 3.88313 3.93019 3.99566 4.00459 4.02599 4.04793 4.10487 4.11782 4.15621 4.16536 4.17559 4.21928 4.25637 4.32030 4.41187 4.43655 4.83229 4.85236 4.87572 4.97563 5.10853 5.14788 5.34217 5.43930 5.74854 5.83580 9.76665 9.79115 23.51018 23.62374 23.74473 23.77864 23.84815 23.86515 23.90755 23.94446 23.95713 23.96457 23.97079 23.98583 24.00393 24.05513 24.05587 24.05933 24.10289 24.14141 24.15682 24.20065 25.82676 25.84372 26.10527 26.20874 26.61362 26.64325 35.57810 49.94590 50.06976 215.75687 215.78630 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.427822 0.440206 0.072582 -0.229077 0.289490 0.144675 -0.450897 -0.588164 -0.243124 -0.363810 -1.140593 2.280121 -0.749718 -0.842688 -0.949797 0.681625 0.682670 0.499006 -0.695939 -0.574957 -0.220251 -0.927465 -0.108573 -0.187993 -0.252947 0.203432 0.148931 0.144017 0.192785 0.144668 0.152998 0.168582 0.233330 0.160708 0.151889 0.164587 0.174790 0.179710 0.167248 0.135176 0.112688 0.124281 0.123219 0.124757 -0.00000 0.2516 0.5744 -1.7509 1.8598 -164.7807 -165.1515 -158.1423 8.6734 -3.9497 0.3225 -2.0892 -2.4600 4.5492 8.6734 -3.9497 0.3225 65.7536 8.2224 -5.3942 -27.1478 27.2374 -6.0591 17.2948 1.2530 -8.9065 -0.3288 -13230.8559 -2308.4833 -1187.8400 -132.9267 -3.0670 67.5631 13.6664 17.0809 -2.2396 -2795.0844 -2415.8045 -601.4279 -48.2733 -12.7539 10.3321 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES ALCAMI 2024-09-11T00:00:00.000 0 Electronic spectrum oxaziclomefone CONF11 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1899.528555 RMSD=6.056e-09 PG=C01 [X(C20H19Cl2N1O2)] 0 5.1381657182 2.6831048032 1.8251713859 0 3.9221435586 -0.3660980639 -2.4930425089 0 -0.9295765829 1.0670863837 -1.4452968664 0 -1.9209894176 -1.4164158979 1.5782115318 0 -0.4292283046 0.0611067486 0.6237935542 0 0.6727561485 -0.1386741689 1.6145863747 0 1.9771335295 0.350579814 0.9598773982 0 0.8886492097 -1.6384533347 1.928982469 0 0.3174801525 0.6092714194 2.9108653877 0 -0.5189055278 1.3106013105 -0.1016290959 0 -1.6473378125 -0.6117325745 0.7007382883 0 -2.5619489256 -0.3293342231 -0.4454899942 0 -2.0975196938 0.3718499583 -1.5135951745 0 2.3192022445 -0.1384175485 -0.3078975818 0 2.8524978032 1.2200812802 1.6091984116 0 -3.9062878346 -0.9595342889 -0.4507134662 0 4.0482380437 1.584215386 0.9917382744 0 3.5132817273 0.2467105844 -0.8980219171 0 -2.7011741819 0.4638247788 -2.8764672481 0 4.4027395669 1.1116244793 -0.2638118065 0 -4.0732458873 -2.3330391332 -0.2253226365 0 -5.0449697191 -0.1783815404 -0.6889935304 0 -5.3410756739 -2.90647594 -0.258421595 0 -6.314221604 -0.7522240011 -0.7246049283 0 -6.4659183647 -2.1206073484 -0.5105073213 0 0.0724349797 -2.0386904607 2.5228322309 0 0.9660254078 -2.2206076439 1.0091008968 0 1.8275688251 -1.7415603281 2.4779005564 0 -0.6427773721 0.2364805472 3.2690073199 0 0.2352496767 1.6870734449 2.745723365 0 1.061337798 0.4328049966 3.6910540356 0 -1.2606258413 1.986511636 0.3490751724 0 0.4485874158 1.7988581406 -0.1522678564 0 1.6434093508 -0.7956265085 -0.8379242394 0 2.6263216281 1.623146479 2.5852646605 0 -1.9166965854 0.2802403232 -3.6164338764 0 -3.0871050426 1.4713228432 -3.0591598249 0 -3.5061113148 -0.2553021213 -3.0097089549 0 5.3307782679 1.4049182866 -0.7335561791 0 -3.2064643468 -2.9449526555 -0.0146573416 0 -4.9314254459 0.8898663242 -0.8386006779 0 -5.451703549 -3.9711691992 -0.0849828262 0 -7.1823407991 -0.1294240444 -0.9100416422 0 -7.4521269689 -2.5705610794 -0.5330436573 Gaussian 16 11-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C20H19Cl2NO2)] 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 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:5.1382,2.6831,1.8252;3.9221,-.3661,-2.493;-.9296,1.0671,-1.4453;-1.921,-1.4164,1.5782;-.4292,.0611,.6238;.6728,-.1387,1.6146;1.9771,.3506,.9599;.8886,-1.6385,1.929;.3175,.6093,2.9109;-.5189,1.3106,-.1016;-1.6473,-.6117,.7007;-2.5619,-.3293,-.4455;-2.0975,.3719,-1.5136;2.3192,-.1384,-.3079;2.8525,1.2201,1.6092;-3.9063,-.9595,-.4507;4.0482,1.5842,.9917;3.5133,.2467,-.898;-2.7012,.4638,-2.8765;4.4027,1.1116,-.2638;-4.0732,-2.333,-.2253;-5.045,-.1784,-.689;-5.3411,-2.9065,-.2584;-6.3142,-.7522,-.7246;-6.4659,-2.1206,-.5105;.0724,-2.0387,2.5228;.966,-2.2206,1.0091;1.8276,-1.7416,2.4779;-.6428,.2365,3.269;.2352,1.6871,2.7457;1.0613,.4328,3.6911;-1.2606,1.9865,.3491;.4486,1.7989,-.1523;1.6434,-.7956,-.8379;2.6263,1.6231,2.5853;-1.9167,.2802,-3.6164;-3.0871,1.4713,-3.0592;-3.5061,-.2553,-3.0097;5.3308,1.4049,-.7336;-3.2065,-2.945,-.0147;-4.9314,.8899,-.8386;-5.4517,-3.9712,-.085;-7.1823,-.1294,-.91;-7.4521,-2.5706,-.533; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point oxaziclomefone CONF11 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1312 A 1162 A 1162 1693 1312 98 98 2423.7716076830 44 44 44 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 -0.0537868560 0.000000 5.424327 0.000000 7.079899 5.166331 0.000000 8.166929 7.198644 4.036370 0.000000 6.270092 5.369507 2.354459 2.306369 0.000000 5.286461 5.242409 3.658444 2.891619 1.495310 0.000000 4.022627 4.027325 3.840209 4.324347 2.446901 1.539290 0.000000 6.061768 5.511377 4.691658 2.840143 2.515715 1.547512 2.465809 0.000000 5.358967 6.568650 4.554217 3.300018 2.467540 1.538175 2.574437 2.518451 0.000000 6.131784 5.315364 1.425971 3.496330 1.447590 2.542804 2.877264 3.847274 3.204142 0.000000 7.626491 6.424928 2.817638 1.221622 1.393709 2.538058 3.758988 2.998995 3.199378 2.369076 0.000000 8.574524 6.799800 2.369440 2.384941 2.417501 3.839737 4.800064 4.388455 4.520754 2.642282 1.493352 0.000000 8.297253 6.143308 1.360922 3.576077 2.729137 4.209582 4.766688 4.980950 5.046231 2.316662 2.464421 1.359486 0.000000 4.523000 2.719580 3.647120 4.813514 2.908905 2.531152 1.401208 3.049626 3.863465 3.193283 4.120050 4.886821 4.606681 0.000000 2.722381 4.526421 4.863891 5.453280 3.617177 2.568564 1.394243 3.482841 2.914402 3.781730 4.942607 5.994887 5.913883 2.409394 0.000000 10.012523 8.112189 3.735933 2.875185 3.779711 5.089884 6.190381 5.395860 5.621528 4.092644 2.559231 1.484731 2.484742 6.281031 7.394264 0.000000 1.757871 3.995412 5.566435 6.706669 4.743727 3.840595 2.410881 4.609449 4.307217 4.704160 6.111174 7.030069 6.746619 2.765155 1.394147 8.475011 0.000000 3.999006 1.756927 4.550991 6.199115 4.230101 3.811864 2.412950 4.293541 4.985200 4.245543 5.470370 6.119235 5.645855 1.386505 2.769520 7.530280 2.376193 0.000000 9.406692 6.686114 2.355999 4.897771 4.192344 5.649422 6.051192 6.356001 6.528909 3.630297 3.881210 2.560886 1.493412 5.671369 7.178885 3.059825 7.859571 6.525400 0.000000 2.715558 2.717371 5.461821 7.055040 5.023877 4.359404 2.821377 4.971932 5.198103 4.928335 6.364256 7.114510 6.660525 2.430160 2.433758 8.565312 1.387595 1.393353 7.596789 0.000000 10.687204 8.540355 4.788721 2.953835 4.442049 5.543017 6.724106 5.453795 6.145839 5.091635 3.115368 2.519390 3.588811 6.759185 7.997253 1.401853 9.098605 8.041333 4.090672 9.149291 0.000000 10.872230 9.148713 4.365735 4.053665 4.804772 6.164450 7.232462 6.647815 6.506554 4.800763 3.696356 2.499495 3.109692 7.374135 8.343104 1.401276 9.413715 8.571351 3.269686 9.544847 2.408690 0.000000 12.058162 9.861759 6.054684 4.158184 5.806126 6.880048 8.102398 6.723250 7.377270 6.407936 4.453037 3.794759 4.779491 8.145210 9.362218 2.426144 10.482768 9.420792 5.018184 10.539786 1.391876 2.777691 0.000000 12.225384 10.395174 5.729196 5.004458 6.092030 7.393654 8.532305 7.727113 7.684386 6.182963 4.881715 3.786330 4.434707 8.665242 9.662576 2.432311 10.760360 9.879664 4.377602 10.887586 2.787513 1.393400 2.409386 0.000000 12.774420 10.720102 6.456493 5.051239 6.518293 7.707448 8.919301 7.763585 8.072950 6.878033 5.192546 4.295796 5.128493 9.008245 10.123548 2.811294 11.248553 10.263469 5.142991 11.341777 2.418954 2.413129 1.395137 1.393314 0.000000 6.960152 6.540399 5.137697 2.292002 2.875267 2.189831 3.432101 1.085842 2.687437 4.295956 2.883375 4.321205 5.178045 4.083140 4.379848 5.082990 5.592558 5.363276 6.565663 6.036672 4.982536 6.321741 6.147725 7.279439 7.208184 0.000000 6.489925 4.943971 4.519547 3.050486 2.702113 2.187937 2.763289 1.091363 3.470668 3.988506 3.084353 4.259032 4.740268 2.810887 3.969538 5.240305 4.896633 4.026573 5.979312 4.953290 5.189480 6.571626 6.469664 7.626525 7.586369 1.767196 0.000000 5.564510 5.566814 5.557142 3.868701 3.432267 2.155956 2.589173 1.092480 2.827408 4.634178 4.063224 5.459713 5.983716 3.251529 3.252144 6.485789 4.266244 4.265173 7.351360 4.721139 6.517429 7.726871 7.761053 8.804748 8.823615 1.780674 1.768931 0.000000 6.441268 7.375827 4.795500 2.687877 2.659608 2.146737 3.494143 2.767004 1.090566 3.539812 2.885241 4.219106 5.000789 4.659197 3.992416 5.090901 5.385905 5.885326 6.485024 6.221248 5.529999 5.934406 6.662953 7.006551 7.331410 2.498942 3.705767 3.262071 0.000000 5.087050 6.727062 4.393843 3.955262 2.754612 2.191857 2.830127 3.486133 1.093477 2.969494 3.607022 4.698304 5.031244 4.123091 2.891325 5.862941 4.198324 5.108524 6.459717 5.172660 6.599360 6.569469 7.824384 7.803136 8.367026 3.735975 4.338187 3.789820 1.774536 0.000000 5.016562 6.860430 5.545102 4.096095 3.430457 2.188447 2.881800 2.724854 1.092318 4.201445 4.167730 5.551582 6.088552 4.230855 2.856953 6.615901 4.187317 5.206369 7.569002 5.221755 7.025087 7.539586 8.230435 8.677627 8.990696 2.907054 3.773931 2.605133 1.766543 1.774616 0.000000 6.603683 6.361879 2.043210 3.677876 2.115154 3.139411 3.678646 4.500651 3.309075 1.100063 2.650299 2.772709 2.603280 4.214511 4.369567 4.039601 5.362732 5.231859 3.846801 5.763225 5.186452 4.481697 6.400035 5.847418 6.685984 4.764926 4.805566 5.288418 3.459819 2.840991 4.355955 0.000000 5.165685 4.715067 2.026512 4.352866 2.095856 2.631740 2.381351 4.042322 3.288631 1.084897 3.306277 3.698447 3.220594 2.697491 3.035874 5.163597 3.783161 3.515347 4.373165 4.014978 6.125756 5.863166 7.461343 7.250598 7.956188 4.693019 4.215759 4.621032 3.916277 2.907982 4.124644 1.791080 0.000000 5.604192 2.848954 3.234016 4.350636 2.677020 2.718191 2.158067 2.989280 4.217256 3.107078 3.637350 4.249291 3.976692 1.081456 3.393137 5.565603 3.846364 2.141612 4.961581 3.403104 5.951392 6.718451 7.319463 7.958556 8.223380 3.912525 2.429181 3.453028 4.812357 4.581402 4.728583 4.193171 2.937529 0.000000 2.830303 5.605841 5.403614 5.561577 3.952685 2.804041 2.163967 3.753431 2.542579 4.148438 5.177865 6.317896 6.378172 3.401149 1.079964 7.652607 2.136045 3.848969 7.717302 3.396256 8.272546 8.533169 9.596012 9.825016 10.308653 4.464895 4.473849 3.459882 3.616263 2.397302 2.255850 4.498993 3.502497 4.305206 0.000000 9.227996 5.980954 2.511447 5.464705 4.498901 5.851865 6.009117 6.504075 6.906913 3.920372 4.416576 3.292843 2.112586 5.391153 7.136929 3.939200 7.649578 6.072524 1.093919 7.201843 4.793701 4.308867 5.758279 5.363477 6.008849 6.857454 5.996657 7.432907 7.002434 6.862004 7.892487 4.366584 4.461078 4.642409 7.804068 0.000000 9.642623 7.268161 2.724498 5.586061 4.755751 6.210680 6.561649 7.096400 6.926437 3.920264 4.533088 3.217052 2.139367 6.276055 7.558808 3.658431 8.205830 7.052326 1.094245 8.002570 4.845232 3.488903 5.664772 4.561643 5.551033 7.311739 6.827076 8.070668 6.895308 6.691880 7.990838 3.900963 4.588946 5.696553 8.032797 1.760423 0.000000 10.331207 7.447026 3.291600 4.990973 4.771757 6.233830 6.796373 6.754088 7.100742 4.453356 4.165273 2.733522 2.148443 6.422439 7.996435 2.684128 8.744347 7.347320 1.087576 8.482827 3.520148 2.785628 4.238561 3.654328 4.299515 6.826088 6.325604 7.795573 6.918295 7.134116 8.138508 4.620537 5.293787 5.614816 8.511112 1.783581 1.777427 0.000000 2.866696 2.866451 6.309734 8.117409 6.068435 5.440002 3.902087 6.006974 6.248842 5.884473 7.403930 8.086146 7.540245 3.410669 3.415339 9.539079 2.157243 2.161432 8.366002 1.080711 10.132438 10.495950 11.519650 11.843115 12.314265 7.079031 5.935685 5.699672 7.284856 6.176521 6.224974 6.704994 4.932431 4.295344 4.286756 7.880468 8.733476 9.275118 0.000000 10.231952 7.975584 4.829845 2.554624 4.142107 5.057468 6.219320 4.717481 5.797359 5.033913 2.895960 2.728090 3.804964 6.204484 7.529637 2.149833 8.611440 7.491464 4.479401 8.626580 1.081725 3.389505 2.148829 3.869139 3.398449 4.243978 4.356883 5.744779 5.241799 6.396934 6.584503 5.313937 5.990165 5.368300 7.851657 5.003815 5.365327 4.036625 9.608470 0.000000 10.569203 9.093971 4.051454 4.496959 4.805748 6.203457 7.159158 6.922802 6.456643 4.493381 3.925506 2.693586 2.958882 7.342385 8.166408 2.149801 9.190572 8.469372 3.050972 9.354475 3.391121 1.084633 3.862206 2.149786 3.394888 6.701813 6.918741 7.975437 5.974266 6.338568 7.525948 4.010982 5.499260 6.787440 8.329471 4.144465 2.944570 2.838423 10.275658 4.284882 0.000000 12.652011 10.327841 6.905368 4.664646 6.479728 7.421965 8.657763 7.049659 7.952297 7.227024 5.135793 4.663004 5.670388 8.667563 9.938767 3.404705 11.057600 9.940951 5.918359 11.089491 2.145533 3.862059 1.084385 3.393326 2.152738 6.407127 6.741567 8.032891 7.216602 8.507059 8.721992 7.297088 8.252950 7.809713 10.182391 6.560633 6.637603 5.113416 12.065856 2.469649 4.946544 0.000000 12.930065 11.219246 6.388677 5.960669 6.927733 8.250841 9.360714 8.687814 8.449397 6.865025 5.784764 4.647988 5.144994 9.520608 10.433874 3.410658 11.518647 10.702241 4.929465 11.669272 3.871851 2.149329 3.395126 1.084388 2.153532 8.249951 8.628559 9.759898 7.769442 8.466695 9.457506 6.413210 7.907184 8.851152 10.559286 5.934593 4.894084 4.235459 12.608073 4.953434 2.471978 4.293580 0.000000 13.844770 11.750544 7.523852 6.031827 7.588482 8.748721 9.983628 8.746368 9.074064 7.957330 6.249384 5.380019 6.187979 10.071985 11.186754 3.895531 12.322562 11.327419 6.104972 12.416474 3.401168 3.397241 2.155178 2.153572 1.084239 8.138814 8.565394 9.791107 8.288686 9.379420 9.967060 7.738200 9.036487 9.272115 11.352804 6.948047 6.463088 5.202435 13.388327 4.293547 4.292069 2.482772 2.484766 0.000000 C20H19Cl2NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 357.1254999999997 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;2;5;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44/rA:44nCl0Cl0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.902,-1.1895,-1.1002;-3.4336,3.019,1.2701;.7073,1.3389,-1.3224;1.9766,-1.7209,.9837;.2626,-.6256,-.1033;-.851,-1.466,.4351;-2.1556,-.6664,.2682;-.6924,-1.713,1.9545;-.8579,-2.8149,-.3041;.0968,.0512,-1.3721;1.5993,-.8368,.2299;2.5291,.179,-.3478;2.0184,1.2786,-.9629;-2.2085,.6461,.756;-3.2993,-1.2233,-.3026;3.9845,.0326,-.0935;-4.4708,-.471,-.3753;-3.3871,1.3705,.6642;2.7261,2.5529,-1.2881;-4.5413,.8305,.1007;4.4858,-.1771,1.1988;4.8924,.1073,-1.1583;5.856,-.2878,1.4168;6.2644,-.0011,-.9403;6.751,-.1978,.3504;.1282,-2.3937,2.1602;-.5066,-.7763,2.4827;-1.6256,-2.1379,2.3315;.12,-3.2804,-.1762;-1.0485,-2.6886,-1.3734;-1.6111,-3.4916,.1058;.5748,-.5054,-2.1918;-.9538,.2097,-1.5917;-1.326,1.1042,1.1815;-3.3013,-2.2298,-.6941;2.1084,3.3892,-.9481;2.8469,2.6605,-2.3703;3.7037,2.6029,-.8141;-5.4545,1.4047,.0345;3.7959,-.2626,2.0276;4.5153,.2428,-2.1661;6.2267,-.4468,2.4234;6.9497,.0589,-1.7785;7.8175,-.2871,.5239; 0.4083532 0.0897167 0.0828327 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= 1162 RedAO= T EigKep= 1.13D-06 NBF= 1162 NBsUse= 1156 1.00D-06 EigRej= 9.86D-07 NBFU= 1156 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= 1261 1261 1261 1261 1261 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -1899.53380542931 -1899.60564966394 -0.071844234626 -1899.60546623773 0.000183426206 -1899.60606710077 -0.000600863037 -1899.60610044537 -0.000033344602 -1899.60610724816 -0.000006802789 -1899.60610829560 -0.000001047441 -1899.60610834920 -0.000000053602 -1899.60610836759 -0.000000018385 -1899.60610836872 -0.000000001134 -1899.60610836873 -0.000000000002 -1899.60610836892 -0.000000000191 -1899.60610836890 0.000000000020 -1899.60610837 13 1.892806765016e+03 -9.312473501013e+03 3.096342806801e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321155706 LenY= 11319433050 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. PT22718.800S 2024-09-11T22:59:32.000 -101.56638 -101.56495 -19.18124 -19.09601 -14.35051 -10.28159 -10.27595 -10.26206 -10.25906 -10.25835 -10.24950 -10.21574 -10.20765 -10.20334 -10.20070 -10.18857 -10.18769 -10.18401 -10.17640 -10.17562 -10.17522 -10.17488 -10.17369 -10.17206 -10.16656 -9.48108 -9.47969 -7.24499 -7.24360 -7.23631 -7.23591 -7.23491 -7.23450 -1.10602 -1.04556 -0.95147 -0.92065 -0.88430 -0.86509 -0.85134 -0.82156 -0.81035 -0.76674 -0.75678 -0.75257 -0.74820 -0.72527 -0.70793 -0.69688 -0.66050 -0.62482 -0.61687 -0.61246 -0.60723 -0.57907 -0.55313 -0.54257 -0.54036 -0.52534 -0.51480 -0.50686 -0.48648 -0.47121 -0.46736 -0.46658 -0.45607 -0.45238 -0.44729 -0.44285 -0.43781 -0.43533 -0.42457 -0.42289 -0.41518 -0.41270 -0.41187 -0.40931 -0.40152 -0.39101 -0.38981 -0.38284 -0.37668 -0.37067 -0.36521 -0.36310 -0.35448 -0.35019 -0.34562 -0.33377 -0.33052 -0.32662 -0.27838 -0.27559 -0.26997 -0.26622 -0.26211 -0.25416 -0.23404 -0.04945 -0.04699 -0.04457 -0.01884 -0.01521 -0.01476 -0.00922 -0.00017 0.00716 0.01020 0.01475 0.01546 0.02144 0.02494 0.02787 0.03383 0.03812 0.04093 0.04228 0.04811 0.04860 0.05348 0.05775 0.06035 0.06304 0.06612 0.06794 0.07120 0.07740 0.07770 0.08347 0.08503 0.08731 0.09236 0.09411 0.09762 0.10075 0.10240 0.10419 0.10527 0.10989 0.11162 0.11419 0.11874 0.11979 0.12371 0.12531 0.12646 0.12937 0.13131 0.13493 0.13620 0.14098 0.14472 0.14560 0.14751 0.14962 0.15163 0.15368 0.15917 0.16255 0.16615 0.16718 0.16798 0.17066 0.17399 0.17693 0.17920 0.18125 0.18209 0.18421 0.18746 0.18879 0.19003 0.19318 0.19587 0.19671 0.19806 0.20313 0.20373 0.20596 0.20687 0.21082 0.21358 0.21453 0.21988 0.22016 0.22437 0.22752 0.22934 0.23258 0.23436 0.23491 0.23819 0.24215 0.24301 0.24432 0.24885 0.24992 0.25301 0.25854 0.25963 0.26261 0.26280 0.26477 0.26726 0.27251 0.27381 0.27547 0.27845 0.28251 0.28397 0.28590 0.28738 0.29120 0.29324 0.29612 0.29997 0.30505 0.30616 0.31029 0.31355 0.31650 0.31884 0.32070 0.32539 0.33095 0.33385 0.33578 0.34179 0.34284 0.34529 0.34533 0.35062 0.35190 0.35826 0.35914 0.36013 0.36760 0.37054 0.37537 0.37774 0.37914 0.38595 0.38765 0.38989 0.39259 0.39592 0.40149 0.40563 0.40682 0.41208 0.41300 0.41766 0.41898 0.42046 0.42661 0.43006 0.43391 0.43756 0.43990 0.44309 0.44589 0.44910 0.45337 0.45768 0.45933 0.46145 0.46444 0.46886 0.47317 0.47598 0.48121 0.48238 0.48556 0.48579 0.49182 0.49543 0.49787 0.50194 0.50623 0.51484 0.51758 0.51956 0.52363 0.52703 0.53175 0.53531 0.53713 0.53993 0.54245 0.54524 0.54723 0.54909 0.55258 0.55803 0.56254 0.56547 0.56716 0.57148 0.57259 0.57429 0.57906 0.58186 0.58359 0.58714 0.58924 0.59324 0.59499 0.60039 0.60131 0.60414 0.61048 0.61223 0.61447 0.61509 0.61814 0.62247 0.62844 0.62940 0.63250 0.63636 0.63981 0.64160 0.64792 0.64932 0.65123 0.65435 0.65790 0.65808 0.66194 0.66952 0.67346 0.67680 0.67750 0.68582 0.69079 0.69469 0.69645 0.70191 0.70419 0.71134 0.71437 0.71774 0.72277 0.72313 0.72695 0.73317 0.73421 0.73723 0.73939 0.74638 0.75111 0.75533 0.75965 0.76197 0.76717 0.77063 0.77904 0.78113 0.78580 0.78826 0.79568 0.80477 0.80951 0.81597 0.82167 0.82866 0.83172 0.83728 0.83938 0.84522 0.84732 0.85152 0.85442 0.86508 0.86624 0.87349 0.88157 0.88561 0.88999 0.89352 0.89890 0.90722 0.91398 0.91905 0.92066 0.92928 0.93146 0.93521 0.93990 0.94655 0.95377 0.96544 0.96937 0.97455 0.98274 0.98731 0.98919 0.99389 0.99917 1.00550 1.01056 1.01580 1.02281 1.02572 1.03234 1.03719 1.04088 1.05274 1.05475 1.06003 1.06097 1.06582 1.07419 1.07832 1.08510 1.08889 1.09434 1.09980 1.10341 1.10797 1.10886 1.11288 1.11504 1.12239 1.12460 1.12985 1.13556 1.13906 1.14339 1.14810 1.14873 1.15261 1.15731 1.16039 1.16509 1.16757 1.17100 1.17567 1.17841 1.18059 1.18550 1.19055 1.19219 1.19358 1.19991 1.20310 1.20531 1.20869 1.21528 1.21610 1.21896 1.22472 1.22825 1.23704 1.23955 1.24647 1.24790 1.24838 1.25612 1.25760 1.26596 1.26813 1.27524 1.28038 1.28322 1.28564 1.28746 1.29103 1.29383 1.29547 1.30122 1.30508 1.31063 1.31272 1.31542 1.32026 1.32270 1.32952 1.33394 1.33996 1.34044 1.34169 1.34512 1.35167 1.35895 1.36148 1.36672 1.37017 1.37480 1.38099 1.38457 1.38565 1.39109 1.39340 1.39986 1.40259 1.40726 1.41154 1.41688 1.42263 1.42628 1.42997 1.43311 1.43649 1.44341 1.44492 1.44998 1.45717 1.46118 1.46661 1.47373 1.48177 1.48264 1.48630 1.48887 1.49456 1.50207 1.50908 1.51173 1.51861 1.52024 1.52529 1.52731 1.54129 1.54860 1.55090 1.55290 1.55840 1.56859 1.57044 1.57491 1.58788 1.59711 1.60020 1.60665 1.60801 1.61284 1.61978 1.62993 1.63393 1.63946 1.64225 1.65242 1.65576 1.66011 1.66247 1.66889 1.67324 1.68131 1.68733 1.70231 1.70881 1.71758 1.72329 1.72461 1.74281 1.74605 1.75819 1.76237 1.76608 1.77508 1.78559 1.79429 1.79718 1.80878 1.82200 1.83388 1.84216 1.85099 1.85616 1.86375 1.87311 1.87922 1.88330 1.89073 1.89537 1.90558 1.91013 1.91866 1.92563 1.93122 1.94197 1.95099 1.95682 1.96364 1.96875 1.97389 1.98309 1.99383 2.00284 2.00802 2.01251 2.01848 2.03025 2.03665 2.03974 2.04642 2.04944 2.05572 2.07465 2.07644 2.08665 2.08740 2.09993 2.10236 2.11299 2.11573 2.11917 2.12779 2.13372 2.13788 2.14225 2.14917 2.15433 2.15997 2.16973 2.17465 2.17614 2.18216 2.18868 2.19426 2.19834 2.21152 2.21547 2.21883 2.22244 2.23816 2.25114 2.25513 2.26145 2.27540 2.28133 2.28399 2.28822 2.29989 2.31399 2.32322 2.32957 2.34339 2.35518 2.36131 2.36872 2.38601 2.39440 2.39555 2.40821 2.41657 2.42523 2.43545 2.43735 2.44802 2.47010 2.47121 2.47849 2.49302 2.50677 2.51902 2.52771 2.54297 2.55157 2.55759 2.57394 2.59027 2.60934 2.61265 2.62935 2.64108 2.64686 2.66106 2.66566 2.67129 2.67409 2.69738 2.70313 2.73219 2.75161 2.75419 2.76380 2.78292 2.78736 2.79489 2.79918 2.80576 2.81226 2.81459 2.82095 2.82289 2.82661 2.83414 2.83482 2.84544 2.85178 2.85427 2.86261 2.87701 2.88263 2.88910 2.89027 2.89964 2.90427 2.90694 2.91058 2.91689 2.92224 2.92883 2.93415 2.94033 2.94639 2.95026 2.95294 2.95743 2.96359 2.97985 2.98295 2.99510 3.00409 3.00698 3.01308 3.02132 3.02613 3.03409 3.03741 3.04711 3.05116 3.05340 3.05787 3.06924 3.08178 3.09007 3.09918 3.10317 3.11673 3.11981 3.12276 3.14161 3.14411 3.14974 3.16101 3.16509 3.16779 3.18054 3.19258 3.19464 3.19881 3.20133 3.20854 3.21670 3.22921 3.23166 3.24238 3.24681 3.25047 3.25585 3.25843 3.26566 3.27856 3.28023 3.28590 3.28757 3.29361 3.30382 3.30931 3.31396 3.31997 3.32736 3.33036 3.34151 3.34513 3.35171 3.35887 3.36063 3.36990 3.38233 3.38759 3.39070 3.40163 3.40729 3.40992 3.41859 3.42318 3.43489 3.43869 3.45060 3.46520 3.46599 3.47469 3.48334 3.49420 3.49893 3.50828 3.51000 3.52365 3.53217 3.54598 3.54812 3.55475 3.55811 3.58131 3.59129 3.59565 3.60553 3.61722 3.63297 3.63298 3.64425 3.65535 3.66246 3.67079 3.68157 3.68627 3.69494 3.69837 3.70824 3.71618 3.72468 3.73250 3.74804 3.75470 3.76415 3.77326 3.78003 3.78481 3.78806 3.79398 3.80412 3.80529 3.81636 3.82990 3.84015 3.85153 3.85796 3.87133 3.88146 3.89491 3.89570 3.90701 3.91865 3.93288 3.94375 3.95489 3.96265 3.97226 3.99002 4.00611 4.01343 4.01775 4.03031 4.04217 4.05515 4.09183 4.10877 4.11559 4.13955 4.14686 4.16186 4.16574 4.17515 4.18885 4.20463 4.20674 4.21454 4.23157 4.23730 4.24296 4.24620 4.26524 4.26831 4.28185 4.29934 4.30313 4.30823 4.31541 4.32543 4.33398 4.34371 4.34483 4.35170 4.35818 4.36012 4.36461 4.36991 4.37097 4.38532 4.39225 4.40567 4.41247 4.41741 4.42071 4.42839 4.43459 4.44029 4.45486 4.46243 4.46513 4.47550 4.47895 4.48536 4.49016 4.50164 4.51376 4.52036 4.53438 4.54928 4.55392 4.56808 4.56966 4.57586 4.58414 4.59919 4.60471 4.61033 4.61692 4.62131 4.63164 4.63999 4.65360 4.66425 4.68468 4.69319 4.69888 4.71352 4.72599 4.72777 4.73434 4.74434 4.75796 4.77388 4.77890 4.80263 4.81685 4.84346 4.84815 4.86672 4.88639 4.90413 4.92137 4.93701 4.95218 4.99501 5.01875 5.03268 5.03747 5.03920 5.10769 5.15235 5.15425 5.16979 5.17391 5.19531 5.20117 5.20698 5.22910 5.23760 5.25438 5.25835 5.27392 5.27782 5.33581 5.35062 5.36017 5.40365 5.44056 5.45261 5.46370 5.48070 5.49338 5.50769 5.54285 5.55732 5.59613 5.62582 5.64468 5.70394 5.74227 5.76530 5.77579 5.79134 5.81072 5.81440 5.81510 5.83253 5.85252 5.87855 5.88113 5.89134 5.89458 5.91002 5.93353 5.93697 5.95222 5.95754 5.97005 5.98498 5.99253 5.99568 6.02647 6.06139 6.07696 6.15512 6.25551 6.34167 6.40564 6.52268 6.56900 6.63818 6.79464 6.83801 6.94814 7.09739 7.10307 7.10521 7.12263 7.14245 7.16632 7.16905 7.18222 7.19462 7.21925 7.22818 7.23728 7.25546 7.27292 7.28043 7.29567 7.30076 7.30429 7.31417 7.31826 7.32964 7.33851 7.35119 7.36845 7.37790 7.38467 7.39544 7.40627 7.41362 7.42406 7.44467 7.45323 7.45637 7.45806 7.45964 7.46331 7.48784 7.49492 7.50636 7.54050 7.56187 7.57672 7.60062 7.62359 7.62939 7.64648 7.65172 7.65971 7.68354 7.69315 7.71957 7.73057 7.74409 7.75568 7.77609 7.83398 7.84348 7.84842 7.85335 7.87161 7.89403 7.90374 7.91170 7.92559 7.94949 7.96582 7.97964 7.99122 7.99693 8.00905 8.04039 8.07302 8.08373 8.09070 8.09629 8.10439 8.15775 8.20798 8.22123 8.24386 8.26362 8.27878 8.28634 8.29182 8.32478 8.35351 8.40423 8.41605 8.42064 8.44850 8.48921 8.50210 8.54277 8.59948 8.70184 8.70542 8.89510 8.92809 9.35452 9.39142 10.02841 10.04864 10.63186 10.65796 10.93541 11.35602 11.41695 14.45880 14.50389 14.50903 14.54557 14.59719 14.71197 14.88700 14.97306 15.12775 15.16157 24.00373 24.01074 24.33746 24.38749 24.41844 24.44556 24.48880 24.59835 24.90773 24.95092 24.95551 25.00203 25.18381 25.34990 25.36916 25.38035 25.41530 25.58704 25.77153 25.80216 26.03356 26.09368 26.91690 27.20958 28.17751 28.25482 36.13859 50.28917 50.50298 216.04018 216.05537 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 Cl Cl O O N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.331471 -0.388109 -0.664571 -0.764933 -0.388110 0.159911 0.762888 -0.431976 -0.303433 0.051421 0.422676 0.705566 0.116738 -0.488062 -0.387539 0.961801 0.730898 0.612882 -0.398329 -1.224274 -0.317689 -0.370139 -0.354128 -0.322019 -0.407082 0.197528 0.158940 0.145478 0.174318 0.158668 0.161904 0.146035 0.226318 0.169868 0.160998 0.150327 0.162504 0.177544 0.165584 0.140815 0.128602 0.129873 0.131266 0.130512 -0.00000 0.2007 0.6079 -1.7403 1.8543 -164.9915 -164.6534 -157.9021 8.5049 -3.9835 0.2403 -2.4758 -2.1378 4.6135 8.5049 -3.9835 0.2403 59.4174 8.3180 -5.4509 -26.3843 26.7373 -5.2816 15.3641 1.5073 -9.0045 0.1012 -13256.4237 -2306.4018 -1187.4750 -131.9054 -6.9552 65.8282 12.9825 16.4227 -1.7865 -2786.3956 -2416.1415 -600.2047 -47.6002 -12.1228 9.5590 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GASCONES ALCAMI 2024-09-11T00:00:00.000 0 Single Point oxaziclomefone CONF11 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1899.6061084 RMSD=4.045e-09 Dipole=-0.2252966,0.6324308,-0.2855162 Quadrupole=-1.4849034,1.6196636,-0.1347602,-3.9350511,6.1664579,1.300914 PG=C01 [X(C20H19Cl2N1O2)] 0 5.1381657182 2.6831048032 1.8251713859 0 3.9221435586 -0.3660980639 -2.4930425089 0 -0.9295765829 1.0670863837 -1.4452968664 0 -1.9209894176 -1.4164158979 1.5782115318 0 -0.4292283046 0.0611067486 0.6237935542 0 0.6727561485 -0.1386741689 1.6145863747 0 1.9771335295 0.350579814 0.9598773982 0 0.8886492097 -1.6384533347 1.928982469 0 0.3174801525 0.6092714194 2.9108653877 0 -0.5189055278 1.3106013105 -0.1016290959 0 -1.6473378125 -0.6117325745 0.7007382883 0 -2.5619489256 -0.3293342231 -0.4454899942 0 -2.0975196938 0.3718499583 -1.5135951745 0 2.3192022445 -0.1384175485 -0.3078975818 0 2.8524978032 1.2200812802 1.6091984116 0 -3.9062878346 -0.9595342889 -0.4507134662 0 4.0482380437 1.584215386 0.9917382744 0 3.5132817273 0.2467105844 -0.8980219171 0 -2.7011741819 0.4638247788 -2.8764672481 0 4.4027395669 1.1116244793 -0.2638118065 0 -4.0732458873 -2.3330391332 -0.2253226365 0 -5.0449697191 -0.1783815404 -0.6889935304 0 -5.3410756739 -2.90647594 -0.258421595 0 -6.314221604 -0.7522240011 -0.7246049283 0 -6.4659183647 -2.1206073484 -0.5105073213 0 0.0724349797 -2.0386904607 2.5228322309 0 0.9660254078 -2.2206076439 1.0091008968 0 1.8275688251 -1.7415603281 2.4779005564 0 -0.6427773721 0.2364805472 3.2690073199 0 0.2352496767 1.6870734449 2.745723365 0 1.061337798 0.4328049966 3.6910540356 0 -1.2606258413 1.986511636 0.3490751724 0 0.4485874158 1.7988581406 -0.1522678564 0 1.6434093508 -0.7956265085 -0.8379242394 0 2.6263216281 1.623146479 2.5852646605 0 -1.9166965854 0.2802403232 -3.6164338764 0 -3.0871050426 1.4713228432 -3.0591598249 0 -3.5061113148 -0.2553021213 -3.0097089549 0 5.3307782679 1.4049182866 -0.7335561791 0 -3.2064643468 -2.9449526555 -0.0146573416 0 -4.9314254459 0.8898663242 -0.8386006779 0 -5.451703549 -3.9711691992 -0.0849828262 0 -7.1823407991 -0.1294240444 -0.9100416422 0 -7.4521269689 -2.5705610794 -0.5330436573