Gaussian 16 GINC-ESTREMERA APULGAR Optimization pyribencarb CONF72 gas EM64L-G16RevC.01 13-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 95 95 678 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(C18H20ClN3O3)] C1[X(C18H20ClN3O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 341.6638999999997 0 1 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.3951,.6603,.1451;1.7232,-2.8763,.6616;.7277,3.0137,.2566;-.7932,2.7765,-1.3897;-1.3014,2.3146,.781;.5958,-2.1129,.6667;4.0091,-.0936,.7383;-2.7155,.3212,.3497;-1.6625,-1.8644,.1695;-1.5905,-.4825,.352;-2.6244,1.8201,.5359;-3.9511,-.2966,.1608;-2.9116,-2.4434,-.0223;-.4322,-2.6843,.1798;-4.0558,-1.662,-.0239;-.4766,-4.0792,-.3659;3.2715,-1.0455,.1869;2.8021,-2.111,1.1434;4.5124,.8694,-.0256;2.9865,-1.0842,-1.1728;4.2834,.9098,-1.3968;3.5052,-.081,-1.9719;-.482,2.7056,-.2286;5.3175,1.9252,.6691;1.6902,3.4341,-.695;-.6176,-.0327,.4917;-3.0215,2.3203,-.3483;-3.2666,2.1208,1.3668;-3.0143,-3.5108,-.1643;-5.0269,-2.1145,-.1691;-.9107,2.2231,1.7031;.5157,-4.4881,-.5297;-.9965,-4.7458,.3254;-1.0198,-4.1027,-1.3103;2.5611,-1.6477,2.1039;3.6094,-2.8276,1.3146;2.3801,-1.8719,-1.596;4.7057,1.7039,-1.9986;3.3052,-.0715,-3.0355;6.0494,1.4732,1.3372;5.8424,2.5684,-.0355;4.6717,2.5543,1.2844;1.895,2.6573,-1.4315;1.3787,4.3411,-1.214;2.5979,3.6349,-.1309; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3658799/Gau-7478.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3658799/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/gas/CONF72 #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 pyribencarb CONF72 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 2 3 3 4 5 5 5 6 7 7 8 8 8 9 9 9 10 11 11 12 13 13 14 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 24 24 24 25 25 25 12 6 18 23 25 23 11 23 31 14 17 19 10 11 12 10 13 14 26 27 28 15 15 29 16 30 32 33 34 18 20 35 36 21 24 22 37 22 38 39 40 41 42 43 44 45 1.7323 1.3616 1.4078 1.3393 1.4173 1.2042 1.4335 1.3579 1.0056 1.273 1.3245 1.3283 1.3826 1.5132 1.3943 1.3957 1.3901 1.4785 1.0809 1.0907 1.0923 1.3818 1.3856 1.0817 1.4985 1.0811 1.0857 1.092 1.0898 1.5068 1.3898 1.0932 1.093 1.3908 1.4984 1.3835 1.0803 1.3849 1.0822 1.0824 1.0892 1.0889 1.0915 1.0898 1.0905 1.0874 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 23 11 11 23 2 17 10 10 11 10 10 13 8 8 9 5 5 5 8 8 27 1 1 8 9 9 15 6 6 9 12 12 13 14 14 14 32 32 33 7 7 18 2 2 2 17 17 35 7 7 21 17 17 22 19 19 22 20 20 21 3 3 4 19 19 19 40 40 41 3 3 3 43 43 44 2 3 5 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 18 25 23 31 31 14 19 11 12 12 13 14 14 9 26 26 8 27 28 27 28 28 8 15 15 15 29 29 9 16 16 13 30 30 32 33 34 33 34 34 18 20 20 17 35 36 35 36 36 21 24 24 22 37 37 22 38 38 21 39 39 4 5 5 40 41 42 41 42 42 43 44 45 44 45 45 109.1768 115.9987 121.9468 118.9457 118.263 114.5553 119.5128 121.781 117.6267 120.5913 118.4744 120.3479 121.1776 122.2335 119.3814 118.3834 114.7284 108.4459 108.5135 109.426 109.3263 106.041 119.681 118.7765 121.5414 120.4833 120.9628 118.5517 115.1935 125.5279 119.2785 119.6395 119.974 120.3865 112.2366 110.6017 110.5107 107.5006 108.4632 107.3496 114.6665 122.7906 122.5135 113.9467 111.231 105.2611 109.0722 109.4412 107.6457 121.7167 116.6027 121.6704 117.9018 121.2387 120.8595 118.758 120.3586 120.8832 119.3184 120.3059 120.3756 124.6967 109.9916 125.3096 110.6736 112.0394 110.4623 108.548 106.91 108.0285 111.7151 111.859 105.8677 108.9524 108.9859 109.3727 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 6 6 6 25 25 23 23 23 23 23 23 31 31 31 11 11 31 31 2 2 19 19 17 17 11 11 12 12 10 10 10 12 12 12 10 10 11 11 13 13 14 14 10 10 14 14 10 10 13 13 1 1 8 8 9 9 29 29 6 6 6 9 9 9 7 7 7 20 20 20 7 7 18 18 7 7 24 24 7 7 7 21 21 21 17 17 37 37 19 19 38 38 2 2 2 2 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 6 18 18 18 23 23 25 25 25 11 11 11 11 11 11 23 23 23 23 14 14 17 17 19 19 10 10 10 10 11 11 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 20 20 20 20 21 21 21 21 24 24 24 24 24 24 22 22 22 22 22 22 22 22 14 17 35 36 4 5 43 44 45 8 27 28 8 27 28 3 4 3 4 9 16 18 20 21 24 9 26 9 26 5 27 28 5 27 28 1 15 1 15 8 26 8 26 15 29 15 29 6 16 6 16 13 30 13 30 12 30 12 30 32 33 34 32 33 34 2 35 36 2 35 36 22 37 22 37 22 38 22 38 40 41 42 40 41 42 21 39 21 39 20 39 20 39 176.3455 -71.8143 51.9726 168.2736 -0.7968 179.7048 -61.2748 61.1669 -179.7815 90.6436 -32.0136 -146.7774 -78.648 158.6948 43.931 -174.6968 5.8087 -5.335 175.1704 -179.5835 0.2926 177.7026 -0.3704 0.1533 179.0046 -179.4297 0.0928 0.2053 179.7279 -3.1006 119.0266 -125.24 177.275 -60.5978 55.1356 -179.8686 -0.2646 -0.229 179.375 0.0947 -179.4324 -179.9899 0.483 -0.3466 -179.7932 179.7388 0.2922 15.8539 -164.0306 -164.2331 15.8825 179.6288 -0.3302 0.0214 -179.9376 0.2919 -179.7493 179.7516 -0.2896 -13.9046 106.1456 -135.1191 165.9669 -73.9829 44.7524 162.1646 37.2192 -80.3076 -19.7564 -144.7018 97.7715 0.177 -179.8831 -177.7463 2.1936 0.2447 -179.8955 -178.5484 1.3113 48.2398 169.5422 -69.965 -132.9083 -11.606 108.8868 0.2285 -179.8212 -179.7117 0.2386 -0.4287 179.621 179.7124 -0.2379 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 703 A 678 A 1077 703 2319.5222760699 45 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= 678 RedAO= T EigKep= 1.56D-06 NBF= 678 NBsUse= 674 1.00D-06 EigRej= 9.65D-07 NBFU= 674 Berny optimization. local minimum Step number 25 out of a maximum of 225 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00040 0.00210 0.00258 0.00327 0.00915 0.01055 0.01072 0.01412 0.01534 0.01573 0.01645 0.01745 0.01836 0.01978 0.02145 0.02195 0.02231 0.02244 0.02250 0.02258 0.02266 0.02274 0.02297 0.02302 0.02307 0.02310 0.02393 0.02558 0.02703 0.04245 0.04826 0.06147 0.06711 0.07101 0.07139 0.07226 0.07435 0.07444 0.08118 0.10266 0.10441 0.10680 0.11058 0.12063 0.13837 0.14992 0.15167 0.15513 0.15853 0.15968 0.15992 0.15999 0.16001 0.16005 0.16012 0.16014 0.16020 0.16034 0.16052 0.16109 0.16146 0.16172 0.22033 0.22260 0.22532 0.23469 0.23519 0.23654 0.24032 0.24157 0.24461 0.24913 0.24939 0.24944 0.24997 0.25084 0.25101 0.26019 0.27050 0.28757 0.30718 0.31585 0.32472 0.32623 0.32802 0.33001 0.34287 0.34500 0.34555 0.34577 0.34653 0.34691 0.34741 0.34807 0.34838 0.34913 0.34968 0.35034 0.35212 0.35659 0.35729 0.35758 0.35840 0.35864 0.35956 0.36181 0.36694 0.39344 0.41719 0.42257 0.42840 0.43698 0.44046 0.46006 0.46696 0.47015 0.47363 0.47747 0.47849 0.48289 0.49270 0.51271 0.53381 0.57747 0.58613 0.59455 0.76771 1.02202 2.72098 -1.04503840e-08 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 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 3.33383 2.63901 2.69647 2.56214 2.71984 2.29062 2.73918 2.58542 1.90672 2.42717 2.52556 2.53307 2.62388 2.87915 2.64859 2.65025 2.64354 2.80872 2.04098 2.06411 2.06331 2.62404 2.63203 2.04539 2.84519 2.04558 2.05355 2.06809 2.06564 2.86445 2.63675 2.06632 2.06489 2.64272 2.84633 2.62806 2.04221 2.62947 2.04758 2.04884 2.06623 2.06266 2.06638 2.05890 2.06241 2.05535 1.90201 2.01107 2.11114 2.06626 2.02586 1.98963 2.07858 2.11817 2.04804 2.11661 2.06445 2.09606 2.12239 2.14002 2.08636 2.05673 2.00174 1.88386 1.89072 1.90254 1.91583 1.86411 2.09394 2.06614 2.12307 2.10127 2.11230 2.06962 2.01415 2.17667 2.09228 2.08945 2.08909 2.10464 1.93840 1.92257 1.92565 1.89292 1.90676 1.87615 1.99552 2.14602 2.14151 1.99422 1.92263 1.83083 1.91149 1.90837 1.89256 2.12483 2.03146 2.12687 2.06001 2.10179 2.12136 2.07577 2.09816 2.10922 2.08113 2.10055 2.10148 2.17507 1.91988 2.18823 1.92277 1.95238 1.92315 1.89698 1.86770 1.89862 1.92705 1.93071 1.83915 1.90971 1.92379 1.93273 3.06897 -1.32073 0.83948 2.87287 -0.06892 3.07472 -1.00690 1.10964 -3.08395 1.40673 -0.71749 -2.72989 -1.29968 2.85928 0.84688 -2.90045 0.24321 -0.18450 2.95916 -3.11237 0.01453 3.11602 -0.00822 0.00571 3.14037 -3.11024 0.01766 0.00279 3.13069 -0.19088 1.92313 -2.32389 2.98040 -1.18878 0.84739 -3.12412 0.00830 -0.01106 3.12136 -0.00966 -3.13777 3.10649 -0.02162 0.00565 -3.13604 -3.11010 0.03140 0.16494 -2.96271 -3.00295 0.15258 3.12036 -0.01518 -0.01221 3.13544 0.00494 3.14042 -3.13656 -0.00109 -0.11139 1.98617 -2.22839 3.01489 -1.17074 0.89789 3.07722 0.91104 -1.16045 -0.08168 -2.24786 1.96383 0.00385 -3.13146 -3.11895 0.02893 0.00098 3.13373 -3.13331 -0.00056 1.05745 -3.11373 -0.99937 -2.09108 0.02093 2.13529 0.00301 -3.13061 3.13824 0.00462 -0.00529 3.12833 -3.13798 -0.00436 -0.00001 0.00001 -0.00003 -0.00003 -0.00001 0.00002 -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 0.00001 -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 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00003 -0.00003 -0.00002 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 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 -0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00002 -0.00000 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00006 0.00005 0.00008 0.00006 0.00002 0.00004 -0.00041 -0.00041 -0.00040 -0.00018 -0.00020 -0.00018 -0.00000 -0.00003 -0.00001 0.00009 0.00010 -0.00008 -0.00007 -0.00005 -0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 0.00001 0.00027 0.00030 0.00027 0.00025 0.00027 0.00025 -0.00003 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00023 -0.00027 -0.00021 -0.00026 0.00002 0.00002 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00006 0.00006 0.00007 0.00011 0.00011 0.00012 -0.00010 -0.00014 -0.00010 -0.00011 -0.00015 -0.00011 0.00000 0.00001 0.00002 0.00002 -0.00000 0.00000 -0.00001 -0.00001 0.00011 0.00010 0.00011 0.00012 0.00011 0.00012 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00004 -0.00008 -0.00005 -0.00003 0.00002 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00003 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00002 0.00002 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00002 0.00002 -0.00003 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00001 0.00003 0.00001 -0.00004 -0.00001 0.00006 0.00003 -0.00004 -0.00001 -0.00004 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00011 0.00010 0.00011 -0.00016 -0.00017 0.00001 0.00001 0.00001 0.00017 0.00018 0.00019 0.00010 0.00011 0.00012 -0.00016 -0.00017 -0.00009 -0.00010 0.00010 -0.00005 -0.00002 -0.00000 -0.00000 0.00001 -0.00002 -0.00001 -0.00003 -0.00002 -0.00004 -0.00005 -0.00005 -0.00003 -0.00004 -0.00005 0.00001 -0.00000 0.00001 -0.00001 0.00004 0.00004 0.00002 0.00001 -0.00003 -0.00003 -0.00001 -0.00000 -0.00008 0.00006 -0.00011 0.00003 -0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00000 -0.00000 0.00010 0.00011 0.00008 -0.00006 -0.00005 -0.00007 -0.00009 -0.00014 -0.00007 -0.00010 -0.00015 -0.00008 -0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00012 0.00011 0.00012 0.00013 0.00013 0.00014 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00004 0.00008 -0.00011 -0.00007 -0.00003 0.00001 -0.00001 0.00003 0.00000 -0.00000 -0.00002 0.00002 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00003 -0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00003 0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00003 -0.00000 -0.00002 0.00002 0.00003 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00002 0.00002 -0.00004 0.00001 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00001 -0.00001 0.00004 0.00001 -0.00005 0.00001 0.00008 0.00003 -0.00004 -0.00003 -0.00006 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00008 0.00016 0.00018 0.00017 -0.00013 -0.00013 -0.00039 -0.00040 -0.00039 -0.00000 -0.00002 0.00001 0.00010 0.00009 0.00011 -0.00007 -0.00006 -0.00017 -0.00016 0.00005 -0.00006 -0.00003 -0.00000 -0.00000 0.00003 -0.00002 -0.00002 0.00000 -0.00000 0.00023 0.00025 0.00022 0.00021 0.00023 0.00020 -0.00002 -0.00002 -0.00000 -0.00000 0.00002 0.00003 0.00001 0.00001 -0.00002 -0.00003 -0.00001 -0.00002 -0.00031 -0.00021 -0.00032 -0.00022 0.00002 0.00002 0.00002 0.00002 0.00001 0.00000 0.00001 0.00000 0.00016 0.00017 0.00016 0.00005 0.00006 0.00005 -0.00019 -0.00027 -0.00016 -0.00021 -0.00030 -0.00019 0.00000 0.00001 0.00003 0.00004 0.00001 0.00001 -0.00002 -0.00002 0.00022 0.00021 0.00022 0.00025 0.00024 0.00025 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00000 -0.00001 0.00000 3.33379 2.63909 2.69636 2.56207 2.71981 2.29064 2.73917 2.58545 1.90672 2.42717 2.52553 2.53309 2.62389 2.87915 2.64859 2.65025 2.64354 2.80875 2.04098 2.06411 2.06332 2.62406 2.63202 2.04539 2.84517 2.04558 2.05355 2.06809 2.06565 2.86446 2.63677 2.06633 2.06491 2.64272 2.84633 2.62805 2.04222 2.62948 2.04758 2.04884 2.06624 2.06267 2.06638 2.05891 2.06241 2.05535 1.90204 2.01107 2.11111 2.06625 2.02585 1.98963 2.07858 2.11818 2.04805 2.11660 2.06445 2.09608 2.12237 2.14002 2.08634 2.05674 2.00177 1.88386 1.89072 1.90253 1.91582 1.86409 2.09394 2.06615 2.12306 2.10126 2.11230 2.06962 2.01416 2.17669 2.09224 2.08946 2.08908 2.10464 1.93841 1.92255 1.92566 1.89294 1.90675 1.87615 1.99556 2.14603 2.14146 1.99423 1.92271 1.83086 1.91145 1.90834 1.89250 2.12483 2.03145 2.12688 2.06001 2.10179 2.12137 2.07577 2.09817 2.10921 2.08113 2.10056 2.10148 2.17509 1.91989 2.18821 1.92277 1.95238 1.92315 1.89697 1.86770 1.89863 1.92705 1.93072 1.83916 1.90970 1.92379 1.93273 3.06905 -1.32057 0.83966 2.87304 -0.06906 3.07459 -1.00730 1.10924 -3.08433 1.40673 -0.71751 -2.72988 -1.29958 2.85937 0.84700 -2.90052 0.24314 -0.18467 2.95900 -3.11232 0.01447 3.11598 -0.00822 0.00570 3.14040 -3.11026 0.01763 0.00279 3.13068 -0.19065 1.92338 -2.32367 2.98061 -1.18855 0.84759 -3.12414 0.00828 -0.01107 3.12136 -0.00964 -3.13775 3.10650 -0.02161 0.00562 -3.13606 -3.11012 0.03139 0.16463 -2.96292 -3.00328 0.15235 3.12037 -0.01515 -0.01219 3.13547 0.00495 3.14042 -3.13655 -0.00108 -0.11123 1.98634 -2.22824 3.01494 -1.17068 0.89793 3.07703 0.91076 -1.16062 -0.08190 -2.24816 1.96364 0.00385 -3.13145 -3.11892 0.02897 0.00099 3.13373 -3.13334 -0.00059 1.05767 -3.11352 -0.99915 -2.09083 0.02117 2.13554 0.00301 -3.13062 3.13824 0.00461 -0.00530 3.12833 -3.13799 -0.00436 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000033 0.000004 0.001267 0.000261 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.000020e-08 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 2 3 3 4 5 5 5 6 7 7 8 8 8 9 9 9 10 11 11 12 13 13 14 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 24 24 24 25 25 25 12 6 18 23 25 23 11 23 31 14 17 19 10 11 12 10 13 14 26 27 28 15 15 29 16 30 32 33 34 18 20 35 36 21 24 22 37 22 38 39 40 41 42 43 44 45 1.7642 1.3965 1.4269 1.3558 1.4393 1.2121 1.4495 1.3681 1.009 1.2844 1.3365 1.3404 1.3885 1.5236 1.4016 1.4025 1.3989 1.4863 1.08 1.0923 1.0919 1.3886 1.3928 1.0824 1.5056 1.0825 1.0867 1.0944 1.0931 1.5158 1.3953 1.0934 1.0927 1.3985 1.5062 1.3907 1.0807 1.3915 1.0835 1.0842 1.0934 1.0915 1.0935 1.0895 1.0914 1.0876 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 23 11 11 23 2 17 10 10 11 10 10 13 8 8 9 5 5 5 8 8 27 1 1 8 9 9 15 6 6 9 12 12 13 14 14 14 32 32 33 7 7 18 2 2 2 17 17 35 7 7 21 17 17 22 19 19 22 20 20 21 3 3 4 19 19 19 40 40 41 3 3 3 43 43 44 2 3 5 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 18 25 23 31 31 14 19 11 12 12 13 14 14 9 26 26 8 27 28 27 28 28 8 15 15 15 29 29 9 16 16 13 30 30 32 33 34 33 34 34 18 20 20 17 35 36 35 36 36 21 24 24 22 37 37 22 38 38 21 39 39 4 5 5 40 41 42 41 42 42 43 44 45 44 45 45 108.9772 115.2255 120.9591 118.3878 116.0733 113.9977 119.0941 121.3623 117.3439 121.2731 118.2841 120.0952 121.6041 122.6143 119.5396 117.8417 114.6912 107.9374 108.3301 109.0072 109.7689 106.8057 119.974 118.3809 121.6431 120.3937 121.0256 118.5807 115.402 124.714 119.8787 119.7164 119.6959 120.5868 111.0621 110.1551 110.3314 108.4566 109.2494 107.4957 114.3346 122.9579 122.6997 114.2602 110.1587 104.8991 109.5201 109.3418 108.4357 121.7438 116.3941 121.8609 118.0301 120.4237 121.5452 118.9326 120.2159 120.8495 119.2398 120.3527 120.4059 124.6224 110.001 125.3765 110.1664 111.8632 110.1885 108.6891 107.0113 108.7828 110.412 110.6213 105.3756 109.4184 110.2252 110.737 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 18 6 6 6 25 25 23 23 23 23 23 23 31 31 31 11 11 31 31 2 2 19 19 17 17 11 11 12 12 10 10 10 12 12 12 10 10 11 11 13 13 14 14 10 10 14 14 10 10 13 13 1 1 8 8 9 9 29 29 6 6 6 9 9 9 7 7 7 20 20 20 7 7 18 18 7 7 24 24 7 7 7 21 21 21 17 17 37 37 19 19 38 2 2 2 2 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 6 18 18 18 23 23 25 25 25 11 11 11 11 11 11 23 23 23 23 14 14 17 17 19 19 10 10 10 10 11 11 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 20 20 20 20 21 21 21 21 24 24 24 24 24 24 22 22 22 22 22 22 22 14 17 35 36 4 5 43 44 45 8 27 28 8 27 28 3 4 3 4 9 16 18 20 21 24 9 26 9 26 5 27 28 5 27 28 1 15 1 15 8 26 8 26 15 29 15 29 6 16 6 16 13 30 13 30 12 30 12 30 32 33 34 32 33 34 2 35 36 2 35 36 22 37 22 37 22 38 22 38 40 41 42 40 41 42 21 39 21 39 20 39 20 175.8392 -75.6721 48.0986 164.6032 -3.9489 176.1683 -57.6912 63.5779 -176.697 80.5996 -41.1094 -156.4113 -74.4662 163.8248 48.5229 -166.1837 13.9347 -10.5709 169.5474 -178.3255 0.8323 178.5345 -0.4709 0.3269 179.9302 -178.2037 1.0116 0.1599 179.3751 -10.9366 110.1872 -133.1489 170.7642 -68.112 48.5518 -178.9991 0.4756 -0.634 178.8407 -0.5534 -179.7813 177.9889 -1.2389 0.3235 -179.6816 -178.1957 1.7992 9.4506 -169.7509 -172.0565 8.7419 178.7832 -0.8695 -0.6995 179.6477 0.2832 179.9328 -179.7118 -0.0622 -6.3819 113.7989 -127.6774 172.7406 -67.0785 51.4451 176.3117 52.1986 -66.489 -4.68 -128.7931 112.5193 0.2204 -179.4196 -178.7027 1.6573 0.0559 179.5492 -179.5257 -0.0323 60.5872 -178.4034 -57.2597 -119.8101 1.1994 122.343 0.1724 -179.3709 179.8081 0.2648 -0.3029 179.2401 -179.7929 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0474515368 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.3951,.6603,.1451;1.7232,-2.8763,.6616;.7277,3.0137,.2566;-.7932,2.7765,-1.3897;-1.3014,2.3146,.781;.5958,-2.1129,.6667;4.0092,-.0936,.7383;-2.7155,.3212,.3497;-1.6625,-1.8644,.1695;-1.5905,-.4825,.352;-2.6244,1.8201,.5359;-3.9511,-.2966,.1608;-2.9116,-2.4434,-.0223;-.4322,-2.6843,.1798;-4.0558,-1.662,-.0239;-.4766,-4.0792,-.3659;3.2715,-1.0455,.1869;2.8021,-2.111,1.1434;4.5124,.8694,-.0256;2.9865,-1.0842,-1.1728;4.2834,.9098,-1.3968;3.5052,-.081,-1.9719;-.482,2.7056,-.2287;5.3175,1.9252,.6691;1.6902,3.4341,-.695;-.6176,-.0327,.4917;-3.0215,2.3203,-.3483;-3.2666,2.1208,1.3668;-3.0143,-3.5108,-.1643;-5.0269,-2.1144,-.1691;-.9107,2.2231,1.7031;.5157,-4.4881,-.5297;-.9965,-4.7459,.3254;-1.0198,-4.1027,-1.3103;2.5611,-1.6477,2.1039;3.6094,-2.8275,1.3146;2.3801,-1.8719,-1.596;4.7057,1.7039,-1.9986;3.3052,-.0715,-3.0355;6.0494,1.4732,1.3372;5.8424,2.5684,-.0355;4.6717,2.5543,1.2844;1.895,2.6573,-1.4315;1.3787,4.3411,-1.214;2.5979,3.6349,-.1309; 0.000000 7.965177 0.000000 6.560430 5.987259 0.000000 5.292600 6.518787 2.253830 0.000000 4.460862 6.009042 2.209303 2.276824 0.000000 6.622137 1.361592 5.144679 5.483120 4.818255 0.000000 9.453025 3.602017 4.544857 5.985715 5.831292 3.966573 0.000000 2.708706 5.479341 4.371912 3.570655 2.481807 4.121848 6.748605 0.000000 4.506328 3.567754 5.432915 4.972452 4.238973 2.325632 5.968786 2.432743 0.000000 3.977897 4.099581 4.196037 3.780321 2.844611 2.745332 5.626402 1.382600 1.395745 0.000000 3.028934 6.401074 3.569223 2.824251 1.433517 5.084793 6.907071 1.513152 3.825602 2.530792 0.000000 1.732336 6.253246 5.732188 4.671236 3.771448 4.922255 7.983716 1.394291 2.774137 2.375597 2.526074 0.000000 3.978508 4.704960 6.565258 5.797035 5.086968 3.589657 7.348257 2.796431 1.390105 2.393861 4.309484 2.392254 0.000000 5.984761 2.216973 5.815411 5.693374 5.109485 1.272967 5.171991 3.778271 1.478460 2.493826 5.022190 4.252512 2.499235 0.000000 2.686059 5.944880 6.694956 5.675439 4.903863 4.724131 8.251311 2.422603 2.409666 2.758652 3.806169 1.381774 1.385602 3.770551 0.000000 6.849435 2.709634 7.221326 6.938997 6.548067 2.466316 6.101340 4.988802 2.568687 3.833038 6.342558 5.163065 2.953463 1.498461 4.332502 0.000000 8.832954 2.444249 4.790961 5.797870 5.705751 2.920474 1.324501 6.143161 5.001500 4.897270 6.564724 7.261345 6.342620 4.050113 7.356224 4.853600 0.000000 8.710306 1.407762 5.599261 6.574960 6.046154 2.257211 2.385523 6.081824 4.576167 4.751065 6.728221 7.061319 5.840843 3.423166 6.970983 4.111195 1.506840 0.000000 9.911133 4.720387 4.359086 5.800598 6.044818 4.971255 1.328259 7.258330 6.755790 6.262220 7.221711 8.545425 8.129615 6.092658 8.934310 7.035278 2.291698 3.629655 0.000000 8.661977 2.858789 4.892668 5.407185 5.809964 3.187101 2.383210 6.066732 4.901334 4.861637 6.544966 7.108300 6.161038 4.009652 7.158729 4.649125 1.389802 2.540352 2.731539 0.000000 9.803705 5.012633 4.450086 5.408904 6.156860 5.195553 2.375064 7.237487 6.745613 6.284879 7.230637 8.466884 8.056179 6.135211 8.834126 6.972201 2.712070 4.215725 1.390791 2.389232 0.000000 9.178524 4.233740 4.717804 5.194221 6.034980 4.422173 2.756681 6.651922 5.871184 5.614937 6.890214 7.758240 7.110369 5.187503 7.966362 5.866870 2.375933 3.784221 2.388668 1.383468 1.384935 0.000000 5.334921 6.067352 1.339301 1.204156 1.357866 5.018062 5.379680 3.317869 4.736766 3.424907 2.441046 4.604261 5.697187 5.405589 5.647089 6.786186 5.322791 5.988872 5.325079 5.223395 5.224770 5.167310 0.000000 10.799681 5.997740 4.735100 6.504108 6.631298 6.212935 2.406688 8.197739 7.958022 7.322395 7.943705 9.544650 9.342399 7.385530 10.060127 8.408067 3.639169 4.779402 1.498444 4.228789 2.523488 3.779360 5.920185 0.000000 7.655096 6.454612 1.417265 2.661228 3.518736 5.815560 4.458320 5.494649 6.329418 5.215238 4.768215 6.817173 7.494928 6.534871 7.709500 7.826419 4.831652 5.946698 3.871732 4.724749 3.686333 4.156929 2.338050 4.158667 0.000000 4.839863 3.687083 3.338502 3.385591 2.461952 2.414600 4.633748 2.132214 2.133256 1.080897 2.731650 3.360200 3.367232 2.676374 3.839465 4.138821 4.030409 4.054418 5.234349 4.106798 5.336194 4.803029 2.834667 6.252204 4.330414 0.000000 2.938149 7.108914 3.860482 2.501666 2.057697 5.811021 7.512525 2.139428 4.430209 3.223965 1.090728 2.823325 4.776103 5.659442 4.127126 6.886955 7.156616 7.468274 7.679121 6.954560 7.513369 7.141412 2.571388 8.410108 4.853962 3.467076 0.000000 2.855904 7.096941 4.240744 3.761125 2.059732 5.773412 7.631201 2.139334 4.459687 3.258298 1.092304 2.786897 4.784125 5.703696 4.106845 7.016153 7.359669 7.401787 8.001073 7.471429 8.130579 7.864557 3.262107 8.614592 5.526757 3.524244 1.743917 0.000000 4.812629 4.850693 7.533210 6.779805 6.145209 3.959502 7.862646 3.877860 2.156292 3.385911 5.390805 3.363668 1.081673 2.732905 2.126637 2.608387 6.761132 6.123753 8.709607 6.550962 8.620810 7.585204 6.712704 9.983165 8.405082 4.274574 5.833976 5.841492 0.000000 2.816612 6.843558 7.719728 6.582984 5.865030 5.684433 9.303596 3.397669 3.390644 3.839727 4.663628 2.137941 2.145733 4.642985 1.081116 4.960215 8.374519 7.938209 9.996078 8.141390 9.865847 8.954381 6.625119 11.136726 8.728195 4.920563 4.870338 4.836844 2.449517 0.000000 4.997946 5.833147 2.324136 3.144142 1.005598 4.705751 5.522927 2.950585 4.429966 3.099646 2.112239 4.239255 5.362534 5.160627 5.288443 6.647393 5.520274 5.734244 5.850673 5.864862 6.189705 6.189807 2.036709 6.320431 3.739211 2.577151 2.945027 2.381986 6.386693 6.265959 0.000000 7.867521 2.339930 7.545888 7.431523 7.162208 2.660710 5.755298 5.860294 3.480929 4.610629 7.126640 6.164189 4.022985 2.157637 5.398277 1.085681 4.467594 3.698334 6.703044 4.254995 6.639691 5.517239 7.268766 8.100889 8.010460 4.709399 7.674538 7.847289 3.680986 6.040211 7.215233 0.000000 6.971806 3.317393 7.949108 7.718104 7.081749 3.095840 6.846167 5.350744 2.961495 4.304581 6.768014 5.343448 3.014909 2.142304 4.357952 1.092024 5.650442 4.694770 7.874145 5.613942 7.926552 6.877772 7.489691 9.191676 8.670086 4.731302 7.381367 7.306775 2.415962 4.838683 7.104310 1.756210 0.000000 6.629231 3.594003 7.493472 6.883390 6.755384 3.236989 6.749805 5.020136 2.759124 4.024245 6.408012 5.024211 2.826853 2.139472 4.102364 1.089777 5.477524 4.959303 7.548350 5.017998 7.297741 6.089943 6.914597 8.967404 8.032761 4.469234 6.796071 7.137708 2.375260 4.616491 7.007691 1.765138 1.757808 0.000000 8.512570 2.071614 5.338754 6.559717 5.689370 2.478764 2.525209 5.898774 4.650486 4.654254 6.432212 6.928852 5.924862 3.706311 6.950586 4.608655 2.131262 1.093230 3.831181 3.351921 4.664979 4.467395 5.801015 4.735157 5.866525 3.912993 7.274829 6.979020 6.300887 7.934826 5.215031 4.380323 5.041615 5.523281 0.000000 9.726916 1.996584 6.598770 7.622419 7.130428 3.164227 2.822421 7.130878 5.480071 5.784835 7.814554 8.055891 6.667688 4.200349 7.867988 4.591959 2.135754 1.092960 4.034703 3.100715 4.666226 4.284277 7.052395 5.091422 6.850491 5.133819 8.557688 8.471619 6.821123 8.791756 6.789027 3.966062 5.086498 5.472247 1.764683 0.000000 8.360395 2.556802 5.480096 5.632016 6.060592 2.891685 3.356324 5.878791 4.411282 4.635787 6.574251 6.756579 5.550266 3.423826 6.628471 3.814001 2.157778 2.782028 3.811488 1.080338 3.376406 2.148113 5.569026 5.308123 5.425918 4.089923 6.950408 7.523602 5.816865 7.547059 6.203357 3.384944 4.832497 4.076467 3.711071 3.300864 0.000000 10.378311 6.078670 4.756681 5.635455 6.647157 6.209942 3.347726 7.905685 7.614910 7.067355 7.756773 9.143519 8.895458 7.099291 9.591257 7.935158 3.793749 5.296174 2.150975 3.378038 1.082153 2.151197 5.572053 2.745890 3.712948 6.128205 7.925454 8.663515 9.495077 10.613632 6.746519 7.619373 8.917128 8.183600 5.715154 5.719530 4.284446 0.000000 9.292257 4.902889 5.196197 5.255139 6.440568 5.021437 3.839023 6.918270 6.177726 5.967575 7.175908 7.932223 7.304389 5.579699 8.110726 6.122978 3.366542 4.677196 3.376772 2.143989 2.146043 1.082350 5.471150 4.664791 4.513930 5.275543 7.277986 8.208216 7.746546 9.045051 6.744863 5.793686 7.186770 6.158901 5.426924 5.158617 2.483795 2.487711 0.000000 11.535036 6.171733 5.644555 7.480311 7.419666 6.561365 2.641251 8.895200 8.483845 7.947506 8.717618 10.223731 9.873566 7.786910 10.667539 8.736062 3.922227 4.840336 2.141044 4.714047 3.303146 4.454030 6.828546 1.089190 5.193939 6.887041 9.264948 9.338479 10.452074 11.739823 7.009875 8.345321 9.452234 9.384747 4.742991 4.944757 5.766870 3.603696 5.388669 0.000000 11.399722 6.862785 5.142347 6.775533 7.194796 7.066419 3.323524 8.856351 8.718618 8.043980 8.518985 10.205783 10.087148 8.185833 10.764293 9.177667 4.440609 5.703458 2.157644 4.774010 2.652224 4.028782 6.328797 1.088855 4.292437 6.983912 8.872886 9.227128 10.743114 11.835848 6.981809 8.855044 10.019892 9.654940 5.754898 5.993721 5.842793 2.427634 4.733584 1.768178 0.000000 10.306608 6.210719 4.101586 6.088160 5.999137 6.227187 2.783674 7.773760 7.803221 7.021910 7.371115 9.151115 9.175615 7.396894 9.780523 8.557617 4.015469 5.027943 2.140159 4.702864 3.169206 4.348423 5.373371 1.091508 3.685318 5.941234 7.868086 7.950589 9.897485 10.861546 5.607898 8.376110 9.291975 9.134653 4.773167 5.485782 5.756667 3.391551 5.236825 1.751950 1.764270 0.000000 7.721301 5.918752 2.083106 2.691106 3.902533 5.370804 4.092158 5.466850 5.972001 5.018770 4.999663 6.740708 7.148904 6.045272 7.486624 7.220883 4.269079 5.494510 3.467584 3.906044 2.959658 3.222268 2.664411 4.081908 1.089830 4.153070 5.045677 5.895750 7.984548 8.501491 4.229172 7.333000 8.139677 7.362630 5.610322 6.368975 4.558061 3.021688 3.465291 5.130969 4.187939 3.885516 0.000000 7.828144 7.465070 2.085334 2.682507 3.907690 6.767876 5.513407 5.947038 7.047787 5.876732 5.044100 7.197557 8.115222 7.387736 8.184575 8.663903 5.878830 7.015153 4.825429 5.658625 4.499336 4.964936 2.666102 4.989632 1.090472 5.101445 4.918881 5.759261 9.058316 9.154090 4.270476 8.897621 9.517556 8.778344 6.947794 7.922048 6.304699 4.317257 5.147829 6.045521 4.945272 4.503198 1.774492 0.000000 8.533034 6.617321 2.008454 3.717662 4.216608 6.138576 4.080343 6.280438 6.963030 5.893159 5.568769 7.644023 8.204446 7.015063 8.505325 8.307579 4.739312 5.889020 3.365142 4.848342 3.445180 4.244982 3.218550 3.310445 1.087422 4.917175 5.775271 6.239240 9.086247 9.549562 4.203237 8.395118 9.130452 8.622604 5.735974 6.698932 5.702484 3.414614 4.761788 4.329044 3.416583 2.733412 1.772380 1.777163 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.3861,-1.0892,-.001;1.4043,3.0391,-.5408;.894,-2.926,-.4752;-.5739,-2.913,1.235;-1.2033,-2.3639,-.8831;.3413,2.1883,-.5549;3.898,.4613,-.8735;-2.752,-.5217,-.2772;-1.8686,1.7275,.0042;-1.695,.3695,-.2679;-2.5503,-1.9942,-.5611;-4.024,-.0189,-.0065;-3.1509,2.1904,.2758;-.7083,2.6438,.0029;-4.2288,1.3198,.2678;-.841,3.995,.637;3.11,1.315,-.2374;2.5201,2.3945,-1.1075;4.5058,-.502,-.1902;2.8773,1.2482,1.1312;4.3356,-.6436,1.1829;3.5051,.2441,1.8464;-.3159,-2.7471,.0706;5.3634,-1.445,-.978;1.9239,-3.3234,.4136;-.696,.0095,-.4697;-2.8711,-2.5775,.303;-3.1994,-2.2955,-1.3864;-3.3319,3.2353,.4886;-5.226,1.6822,.4753;-.8581,-2.1854,-1.8106;.1217,4.4726,.7916;-1.439,4.6576,.008;-1.3462,3.9172,1.5995;2.2783,1.972,-2.0864;3.2608,3.1834,-1.261;2.228,1.957,1.6243;4.843,-1.4356,1.7181;3.3491,.1543,2.9137;6.03,-.8955,-1.6413;5.9651,-2.0847,-.3344;4.7453,-2.0862,-1.609;2.096,-2.5784,1.1903;1.7061,-4.2824,.8848;2.8215,-3.4153,-.1934; 0.2838101 0.1321361 0.0974733 -101.55921 -19.17766 -19.16636 -19.09603 -14.36279 -14.34299 -14.30902 -10.31764 -10.23991 -10.22709 -10.22386 -10.22229 -10.22005 -10.21963 -10.21769 -10.19887 -10.19605 -10.19480 -10.19069 -10.18865 -10.18252 -10.18173 -10.18163 -10.18026 -10.16983 -9.47455 -7.23885 -7.22951 -7.22902 -1.12165 -1.12115 -1.02535 -0.96135 -0.94648 -0.91338 -0.90005 -0.84797 -0.81383 -0.80368 -0.79241 -0.76179 -0.74763 -0.73249 -0.71845 -0.69510 -0.69076 -0.63717 -0.62679 -0.62174 -0.60382 -0.59548 -0.56779 -0.55946 -0.53712 -0.52387 -0.51808 -0.50951 -0.49659 -0.49403 -0.49031 -0.47538 -0.46982 -0.45832 -0.45367 -0.45067 -0.44710 -0.44509 -0.43772 -0.43344 -0.43251 -0.42513 -0.41803 -0.41135 -0.40591 -0.40052 -0.39287 -0.38903 -0.38447 -0.37481 -0.37082 -0.36778 -0.36704 -0.36375 -0.34693 -0.32336 -0.30877 -0.29475 -0.28825 -0.28572 -0.28466 -0.27152 -0.26540 -0.26432 -0.25916 -0.23373 -0.05553 -0.03676 -0.02428 -0.02319 -0.00581 0.00002 0.00277 0.01110 0.01466 0.01764 0.02141 0.02401 0.02878 0.03187 0.03552 0.03916 0.04419 0.04575 0.04931 0.05210 0.05380 0.05593 0.06195 0.06347 0.06864 0.07184 0.07355 0.07429 0.07697 0.08237 0.08778 0.09360 0.09547 0.09784 0.10243 0.10531 0.10745 0.11213 0.11344 0.11735 0.11958 0.12199 0.12424 0.12655 0.13146 0.13474 0.13902 0.14170 0.14658 0.14859 0.14927 0.15120 0.15410 0.15562 0.16191 0.16456 0.16510 0.16704 0.17001 0.17179 0.17451 0.17806 0.18017 0.18250 0.18677 0.18854 0.19174 0.19405 0.19660 0.19910 0.20230 0.20437 0.20547 0.20783 0.21153 0.21257 0.21614 0.22056 0.22188 0.22279 0.22800 0.22917 0.23125 0.23287 0.23626 0.23858 0.24097 0.24444 0.24605 0.24923 0.25245 0.25281 0.25808 0.25929 0.26148 0.26630 0.26844 0.27140 0.27384 0.27708 0.27851 0.28158 0.28396 0.28565 0.29021 0.29384 0.29606 0.30136 0.30191 0.30544 0.30907 0.31164 0.31420 0.31642 0.31870 0.32289 0.32687 0.33169 0.33728 0.33865 0.34341 0.34769 0.34830 0.35394 0.35632 0.36122 0.36581 0.36656 0.37174 0.38103 0.38578 0.38716 0.39916 0.40080 0.40834 0.41112 0.41721 0.41864 0.42446 0.43224 0.43890 0.44511 0.45165 0.45627 0.46370 0.46883 0.47131 0.47860 0.48061 0.48757 0.49668 0.50134 0.51050 0.52016 0.52176 0.52791 0.53060 0.54019 0.54171 0.54570 0.55207 0.55494 0.55680 0.56364 0.57299 0.57796 0.58053 0.58396 0.59105 0.59433 0.59807 0.60315 0.60824 0.61492 0.61796 0.62105 0.62525 0.63204 0.63666 0.64069 0.64596 0.65187 0.65445 0.66060 0.66707 0.67235 0.67390 0.67575 0.68496 0.68719 0.69360 0.69598 0.70337 0.70646 0.70841 0.71095 0.71997 0.72333 0.72789 0.73161 0.73718 0.74208 0.75042 0.75244 0.75617 0.76003 0.76345 0.76659 0.76861 0.77540 0.78929 0.79602 0.79947 0.81131 0.82117 0.83054 0.83449 0.84011 0.84615 0.85247 0.86020 0.86531 0.87377 0.87557 0.88479 0.89185 0.89845 0.90028 0.90330 0.90508 0.91519 0.91743 0.92260 0.93010 0.94418 0.94833 0.95205 0.96097 0.96746 0.97020 0.97311 0.97465 0.98962 0.99847 1.00893 1.01343 1.01812 1.02635 1.03094 1.03972 1.04360 1.05631 1.06089 1.06270 1.07557 1.08815 1.09082 1.09820 1.10866 1.11615 1.12593 1.14124 1.14331 1.16073 1.16540 1.17447 1.17565 1.19056 1.19506 1.21684 1.22956 1.23585 1.23960 1.24737 1.26500 1.27691 1.28347 1.29558 1.29754 1.30873 1.31140 1.32167 1.33520 1.33879 1.34936 1.35802 1.37045 1.38888 1.39784 1.40212 1.41969 1.43438 1.43581 1.43972 1.45622 1.46333 1.46743 1.47081 1.47510 1.48496 1.49810 1.51417 1.51952 1.52627 1.53271 1.54515 1.55111 1.55472 1.56469 1.56935 1.57324 1.58015 1.58350 1.58764 1.59663 1.59726 1.60209 1.61755 1.62259 1.62414 1.63065 1.63501 1.64153 1.66032 1.66463 1.67421 1.69195 1.70300 1.70621 1.70934 1.71409 1.72065 1.72670 1.73001 1.73649 1.74193 1.75082 1.75288 1.76621 1.77889 1.77943 1.78593 1.79532 1.80672 1.81755 1.83194 1.84163 1.84967 1.85798 1.86370 1.86607 1.87505 1.88496 1.88655 1.89866 1.90729 1.91450 1.91874 1.92318 1.93516 1.94219 1.94758 1.95798 1.97020 1.98505 1.98960 2.00161 2.01744 2.02352 2.03256 2.04461 2.06426 2.06798 2.07162 2.08241 2.09210 2.09635 2.12214 2.12647 2.13534 2.14895 2.15382 2.16164 2.16288 2.18634 2.19449 2.19746 2.20135 2.22005 2.22050 2.24423 2.24762 2.25547 2.26655 2.29657 2.30659 2.31325 2.32753 2.35463 2.35842 2.38741 2.39291 2.41165 2.42068 2.43832 2.44237 2.44459 2.45282 2.47060 2.47852 2.48024 2.50390 2.50950 2.52041 2.52528 2.53234 2.53414 2.55235 2.55270 2.56586 2.57209 2.57516 2.57682 2.59119 2.59715 2.60005 2.61089 2.62050 2.63957 2.64560 2.64861 2.65426 2.66228 2.68065 2.68412 2.69689 2.69691 2.71688 2.72591 2.73460 2.74195 2.74986 2.76320 2.76526 2.77575 2.77989 2.78392 2.79735 2.79891 2.81050 2.82385 2.83679 2.84299 2.85071 2.85698 2.86549 2.88034 2.89017 2.90186 2.91471 2.92548 2.93942 2.94274 2.95631 2.95738 2.96591 2.97762 2.98495 3.00721 3.02663 3.03157 3.04216 3.06342 3.06614 3.07595 3.08233 3.09194 3.10135 3.11632 3.12265 3.14762 3.17973 3.18485 3.20032 3.21834 3.22997 3.24475 3.26829 3.27978 3.31137 3.35306 3.38758 3.39906 3.40901 3.43310 3.44422 3.44917 3.46432 3.49412 3.52636 3.57555 3.59390 3.59696 3.63649 3.65661 3.68194 3.71745 3.79366 3.79581 3.79958 3.82072 3.82845 3.83227 3.84015 3.84765 3.87176 3.90147 3.92030 3.94980 3.98213 3.99254 4.00020 4.01578 4.04365 4.07582 4.09301 4.11150 4.15402 4.19939 4.22275 4.28704 4.29074 4.37152 4.47933 4.49715 4.51324 4.77105 4.84324 4.86549 4.99266 5.06237 5.10344 5.11766 5.24836 5.28716 5.45133 5.54559 5.75308 5.85726 5.89954 9.81502 23.55037 23.70952 23.87390 23.88377 23.90853 23.91769 23.92546 23.93479 23.93800 23.96970 23.98232 23.98814 24.03196 24.06182 24.10044 24.12045 24.17606 24.19326 25.85686 26.20622 26.70531 35.60716 35.62433 35.71550 49.91885 49.95125 50.05461 215.81216 1-A. 1.5283 1.4629 -0.1260 2.1194 -148.9679 -146.0906 -154.6913 -13.3750 7.3088 8.3972 0.9487 3.8260 -4.7747 -13.3750 7.3088 8.3972 40.2204 11.5154 -4.4990 0.7768 -19.0753 17.1814 8.2328 -1.0924 -7.6474 -21.8442 -9482.9204 -4097.8368 -724.4723 -210.5056 -15.0901 -79.9299 31.6708 42.6889 20.9946 -2111.0786 -1720.2262 -845.8441 -3.2764 3.2619 12.9736 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2706,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; 0.000000 8.058344 0.000000 6.639347 5.526669 0.000000 5.468955 5.967484 2.274878 0.000000 4.519734 6.035508 2.231371 2.293764 0.000000 6.685143 1.396505 4.676112 4.936803 4.805621 0.000000 9.841459 3.657087 4.560314 5.616972 6.298891 4.158418 0.000000 2.747265 5.528135 4.283743 3.487638 2.503486 4.135596 7.118808 0.000000 4.552660 3.613087 5.179926 4.701849 4.263695 2.344489 6.238872 2.448247 0.000000 4.019525 4.139886 3.979166 3.521620 2.864662 2.747998 5.974961 1.388497 1.402453 0.000000 3.082230 6.436040 3.589949 2.839834 1.449513 5.084043 7.305111 1.523579 3.845539 2.539925 0.000000 1.764188 6.313361 5.677454 4.673164 3.800582 4.952265 8.324561 1.401574 2.788905 2.383301 2.550052 0.000000 4.017327 4.765994 6.373411 5.630030 5.118794 3.630247 7.603209 2.814400 1.398900 2.404798 4.337728 2.405310 0.000000 6.038188 2.249198 5.473259 5.308446 5.128674 1.284404 5.359147 3.796727 1.486310 2.503291 5.038920 4.274593 2.518975 0.000000 2.714661 6.010570 6.583573 5.621306 4.935607 4.765200 8.544478 2.436111 2.422474 2.768332 3.834516 1.388585 1.392810 3.794016 0.000000 6.917562 2.710105 6.932384 6.642558 6.598865 2.473677 6.186717 5.030175 2.589510 3.864636 6.386682 5.202448 2.977705 1.505608 4.366265 0.000000 8.976173 2.472071 4.557937 5.240256 5.908829 3.003296 1.336467 6.280532 5.108548 5.040552 6.703633 7.377159 6.432307 4.129899 7.453313 4.885545 0.000000 8.818618 1.426911 5.059509 5.918725 6.062633 2.298328 2.398612 6.138713 4.636700 4.800481 6.761996 7.135820 5.921674 3.469010 7.055765 4.130466 1.515803 0.000000 10.318480 4.777238 4.722287 5.577334 6.649898 5.159933 1.340442 7.670235 7.035252 6.648445 7.691814 8.904067 8.377460 6.281891 9.224624 7.121579 2.307618 3.652522 0.000000 8.553127 2.860480 4.739544 4.785879 5.883422 3.144037 2.400417 5.994677 4.833704 4.822969 6.482091 6.992135 6.052102 3.968225 7.029533 4.624353 1.395310 2.555339 2.747346 0.000000 10.002760 5.050853 4.901088 5.162492 6.653424 5.305462 2.392698 7.487465 6.902979 6.539647 7.535356 8.643159 8.157060 6.244855 8.949382 7.017624 2.726150 4.238996 1.398469 2.400142 0.000000 9.117261 4.250356 4.905450 4.740658 6.273036 4.430896 2.777954 6.664542 5.862989 5.667113 6.931488 7.698011 7.035531 5.191372 7.872179 5.861728 2.388462 3.806429 2.403048 1.390709 1.391454 0.000000 5.443274 5.710169 1.355827 1.212144 1.368145 4.637922 5.389118 3.247301 4.542987 3.234379 2.452197 4.587264 5.570280 5.141723 5.590963 6.590107 5.097454 5.565630 5.541576 4.961952 5.431440 5.136154 0.000000 11.441700 6.072628 5.334354 6.486874 7.460841 6.469052 2.420852 8.805357 8.360571 7.861404 8.646555 10.103549 9.728522 7.649735 10.523776 8.534768 3.662019 4.807275 1.506215 4.252461 2.539322 3.801731 6.353067 0.000000 7.754014 5.562726 1.439278 2.676462 3.553630 4.993870 3.749071 5.348616 5.889008 4.860956 4.789321 6.716261 7.151286 5.916887 7.508614 7.261217 3.993845 4.877690 3.573066 4.109762 3.679872 3.950253 2.360742 4.108504 0.000000 4.884194 3.705955 3.054122 3.021563 2.483305 2.386376 5.018534 2.138488 2.132650 1.080042 2.737945 3.369048 3.374316 2.672831 3.848208 4.161032 4.203784 4.077878 5.683018 4.132125 5.678557 4.949089 2.565397 6.838935 3.878776 0.000000 3.100048 7.010153 3.918710 2.553098 2.066251 5.689684 7.677396 2.144383 4.401361 3.176086 1.092281 2.893980 4.792870 5.597166 4.184592 6.875896 7.085706 7.335257 7.899130 6.679169 7.566418 6.942707 2.611102 8.859672 4.928218 3.385824 0.000000 2.822904 7.243372 4.298687 3.811906 2.070917 5.878350 8.190873 2.153773 4.521049 3.311903 1.091854 2.779937 4.827641 5.784926 4.120521 7.100117 7.630016 7.576554 8.622260 7.500576 8.544484 7.986569 3.303485 9.506204 5.605261 3.595460 1.753527 0.000000 4.848318 4.917321 7.320525 6.598282 6.176927 4.010517 8.072224 3.896514 2.165474 3.398213 5.419790 3.377093 1.082372 2.756728 2.133975 2.628084 6.831809 6.212995 8.898027 6.435381 8.669523 7.482834 6.576018 10.291352 8.017049 4.282570 5.850939 5.887248 0.000000 2.830392 6.916619 7.629621 6.573572 5.895965 5.734147 9.583740 3.410015 3.406318 3.850713 4.691792 2.142239 2.155462 4.671680 1.082475 4.997510 8.461807 8.032302 10.262648 7.993899 9.945973 8.825700 6.594891 11.580846 8.562466 4.930641 4.948069 4.835910 2.461492 0.000000 4.990745 5.932083 2.313372 3.142781 1.008991 4.753852 6.218510 2.937460 4.433971 3.111879 2.123640 4.209469 5.347449 5.186275 5.257729 6.676825 5.903279 5.875264 6.706079 6.107158 6.914297 6.622618 2.025674 7.431110 3.742399 2.635152 2.961885 2.410023 6.370156 6.225358 0.000000 7.939497 2.273531 7.232165 7.110211 7.209489 2.630440 5.750249 5.900481 3.497663 4.639022 7.167493 6.205062 4.048220 2.150288 5.434831 1.086692 4.464250 3.656212 6.717423 4.292204 6.675490 5.568929 7.057195 8.112155 7.387610 4.727156 7.654751 7.929502 3.703969 6.082455 7.245391 0.000000 6.972222 3.403269 7.573427 7.380531 7.045881 3.143130 7.009239 5.321312 2.926738 4.270514 6.743001 5.315540 2.985214 2.144764 4.332377 1.094384 5.752223 4.803447 8.028173 5.635151 8.019866 6.907717 7.222612 9.396282 8.041140 4.692542 7.323554 7.321676 2.404963 4.824845 7.030347 1.769627 0.000000 6.749444 3.532131 7.328759 6.696571 6.884405 3.214971 6.750195 5.120487 2.821321 4.108166 6.513049 5.118669 2.889886 2.146005 4.182867 1.093090 5.418883 4.909084 7.540595 4.882816 7.236663 5.968610 6.826496 9.007105 7.612058 4.540544 6.849864 7.263309 2.410423 4.694197 7.108728 1.777350 1.764028 0.000000 8.590299 2.075354 4.560204 5.766699 5.565195 2.466775 2.630701 5.889883 4.666849 4.626665 6.381679 6.966950 5.990471 3.711250 7.019153 4.607116 2.144976 1.093448 3.923277 3.301533 4.699773 4.446413 5.202109 4.877753 4.570786 3.819910 7.062435 7.099032 6.393441 8.025997 5.221727 4.307799 5.135847 5.469707 0.000000 9.827882 2.007943 6.054300 6.982873 7.130271 3.197210 2.727888 7.177217 5.530384 5.822418 7.838027 8.121936 6.741459 4.239081 7.946070 4.606804 2.142145 1.092694 3.980868 3.208394 4.685707 4.371932 6.633226 4.987295 5.781966 5.144980 8.425141 8.630882 6.906910 8.881643 6.896144 3.918834 5.197348 5.417941 1.773499 0.000000 8.003257 2.513961 5.152724 4.884906 5.900784 2.684789 3.367902 5.559341 4.125698 4.356672 6.267094 6.396002 5.230847 3.215125 6.271460 3.710040 2.154521 2.782936 3.827278 1.080694 3.392077 2.162071 5.128374 5.331542 4.755968 3.878879 6.458996 7.286206 5.520535 7.180493 6.178288 3.440562 4.767182 3.854260 3.599943 3.459458 0.000000 10.593755 6.117827 5.419444 5.527093 7.220620 6.322885 3.365701 8.183767 7.781936 7.345082 8.107656 9.335823 8.997965 7.213356 9.710562 7.982354 3.809214 5.320900 2.157529 3.390210 1.083534 2.157876 5.920156 2.760225 4.078586 6.500588 8.021266 9.116762 9.536969 10.690930 7.553256 7.662294 9.006675 8.122354 5.752805 5.740126 4.303466 0.000000 9.044957 4.909237 5.424032 4.796974 6.578972 4.971915 3.862103 6.786529 6.061549 5.901883 7.072766 7.708709 7.098998 5.516751 7.859642 6.085863 3.380392 4.700858 3.392410 2.152536 2.153767 1.084198 5.423543 4.688438 4.506510 5.323576 6.932278 8.156549 7.521712 8.749550 7.067080 5.868507 7.167405 5.995994 5.382007 5.281305 2.504012 2.495819 0.000000 12.266386 6.283786 6.247820 7.473531 8.338376 6.881336 2.725872 9.582408 8.934472 8.553506 9.516904 10.857827 10.303469 8.082799 11.189484 8.847072 3.990708 4.956131 2.144700 4.730193 3.247740 4.421070 7.293202 1.093402 5.104702 7.542566 9.791410 10.364668 10.789595 12.239666 8.237664 8.310053 9.671913 9.375726 5.072671 4.894866 5.783310 3.509116 5.335738 0.000000 11.880080 6.929726 5.757913 6.694519 7.906691 7.262690 3.345525 9.327464 9.023502 8.467872 9.076555 10.621284 10.363808 8.387544 11.096056 9.272214 4.467110 5.741393 2.164384 4.795080 2.656734 4.041833 6.704242 1.091515 4.405436 7.464402 9.170220 9.956630 10.952412 12.142610 7.976855 8.874829 10.184880 9.651804 5.868039 5.959738 5.865897 2.424285 4.744859 1.775326 0.000000 11.191028 6.247511 4.817363 6.281810 7.001650 6.502657 2.703672 8.568319 8.325815 7.699916 8.284228 9.916135 9.713607 7.724609 10.434107 8.741836 3.974282 4.941040 2.145036 4.724524 3.262223 4.427231 5.976734 1.093480 3.701518 6.637185 8.561282 9.062066 10.347827 11.509023 6.873431 8.403298 9.537617 9.283730 4.766212 5.208778 5.774790 3.532736 5.343316 1.758068 1.776431 0.000000 7.693097 4.806571 2.086243 2.656913 3.876771 4.328640 3.132644 5.193263 5.361795 4.515852 4.917374 6.503165 6.641967 5.236787 7.135346 6.484176 3.162229 4.198765 2.967952 3.071730 2.854939 2.907031 2.637107 3.857691 1.089524 3.554553 5.023936 5.856306 7.428510 8.185888 4.160395 6.549699 7.343155 6.780408 4.113403 5.113801 3.717780 3.394809 3.470051 4.820532 4.191934 3.726702 0.000000 8.030158 6.532900 2.090231 2.691883 3.945854 5.938477 4.567777 5.846465 6.635639 5.546749 5.104733 7.169184 7.820028 6.774325 8.053934 8.100143 4.869308 5.881080 4.115924 4.796879 3.991218 4.357206 2.683257 4.484871 1.091379 4.656162 5.032314 5.897729 8.716819 9.072285 4.294803 8.257973 8.914423 8.349979 5.639060 6.768651 5.439418 4.110427 4.726179 5.551385 4.522636 4.118676 1.780120 0.000000 8.596698 5.686844 2.021044 3.732172 4.249540 5.303354 3.386730 6.120463 6.497911 5.535661 5.586041 7.511272 7.819934 6.368298 8.262443 7.687812 3.949708 4.770175 3.246673 4.389079 3.737757 4.284739 3.238482 3.471463 1.087644 4.489322 5.848025 6.317456 8.647409 9.333674 4.204790 7.708192 8.430522 8.154814 4.346470 5.551606 5.171563 4.159300 5.015238 4.407314 3.881553 2.851068 1.785883 1.792954 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5336,-1.0493,.3933;1.4509,2.799,-.766;.7541,-2.6793,-.9809;-.3295,-2.6101,1.0182;-1.4683,-2.4797,-.9687;.3293,1.9692,-.7047;4.1546,.3398,-.6376;-2.891,-.5735,-.1879;-1.9171,1.6711,-.1036;-1.8118,.2898,-.3219;-2.7354,-2.0752,-.3926;-4.1224,-.0128,.1777;-3.1655,2.1927,.2518;-.7152,2.5377,-.2193;-4.2673,1.3519,.3894;-.7773,3.9712,.237;3.1598,1.1095,-.1859;2.5665,2.038,-1.2269;4.7684,-.4966,.2112;2.717,1.079,1.1369;4.3909,-.5897,1.5545;3.3492,.2081,2.0178;-.3462,-2.5907,-.1937;5.8795,-1.3364,-.3624;2.0098,-2.714,-.2782;-.8439,-.1058,-.5924;-2.8429,-2.5786,.5708;-3.5379,-2.4457,-1.0336;-3.2982,3.2528,.4257;-5.2345,1.752,.6653;-1.3135,-2.3138,-1.9519;.2057,4.4335,.2072;-1.4492,4.5439,-.4097;-1.1721,4.0291,1.2546;2.2892,1.4624,-2.1143;3.3132,2.7813,-1.5165;1.9022,1.7132,1.456;4.8994,-1.2797,2.2173;3.0288,.1464,3.0517;6.6739,-.6946,-.753;6.3077,-2.0084,.3835;5.5081,-1.9319,-1.2009;2.1198,-1.8288,.3473;2.0777,-3.6084,.3436;2.7734,-2.7245,-1.0526; 0.3143516 0.1235642 0.0965081 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= 699 699 699 699 699 MxSgAt= 45 MxSgA2= 45. 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= 678 RedAO= T EigKep= 1.56D-06 NBF= 678 NBsUse= 674 1.00D-06 EigRej= 9.23D-07 NBFU= 674 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= 693 693 693 693 693 MxSgAt= 45 MxSgA2= 45. 1 6.01291303e-01 5.75552460e-01 -4.95581100e-02 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 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.012801458 0.007390744 -0.000336304 0.008459937 -0.017454698 -0.003268046 0.007675239 0.000947281 0.010558240 -0.003638716 0.000816662 -0.015303607 0.000011007 0.001841012 0.005103298 -0.004904507 0.014410237 0.004989395 0.002008143 -0.000094561 0.011463210 0.001308368 0.001290336 0.000486596 0.002591976 -0.001281829 0.000564949 0.004501141 0.003340565 0.000396233 -0.006463625 0.000911443 0.000154496 0.003679263 -0.003083645 -0.000154124 -0.002300548 -0.005784363 -0.001094356 -0.009597592 -0.003008303 -0.004423449 -0.003931600 -0.003511070 -0.000754004 0.001718967 -0.004545874 -0.001994839 -0.003109271 -0.004735283 -0.001030586 0.009022587 0.002609195 0.006475103 0.003969125 0.006314370 -0.001721486 -0.002948351 -0.003450011 -0.002950644 0.001639925 0.003452638 -0.003777005 -0.000768258 0.000361326 -0.005542417 -0.004741846 -0.002601386 0.005650246 0.002679999 0.003087610 0.001114056 0.010766751 0.003946943 -0.006586445 0.000071734 0.000174296 -0.000296065 0.000460463 0.000264910 -0.001289233 -0.000853182 0.000061778 0.000831109 -0.000087375 -0.000559594 -0.000048002 -0.001232623 0.000003905 -0.000077716 0.002617741 0.000306681 0.001073483 0.002363518 0.001094120 0.000918298 -0.001115315 -0.000757366 0.001551133 -0.001297163 0.000389111 -0.001366112 -0.001427035 0.000088570 -0.000074715 0.000295895 -0.001049738 -0.000481043 -0.001077312 -0.001347252 0.001344558 0.000339710 0.000962170 -0.000565762 -0.000263683 0.000011687 -0.001587397 0.001018589 -0.001474901 0.001305054 0.000723189 0.001197004 -0.001771820 -0.001835899 0.000734472 0.001314095 -0.001646464 -0.001749919 -0.000127659 -0.002461303 0.000655227 -0.000097044 0.000579862 -0.000174497 0.001426329 0.017454698 0.004224843 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1548.43194920327 -1548.43195245832 -0.000003255050 -1548.43195245749 0.000000000823 -1548.43195249807 -0.000000040580 -1548.43195249984 -0.000000001770 -1548.43195250005 -0.000000000203 -1548.43195250033 -0.000000000285 -1548.43195250005 0.000000000282 -1548.43195250024 -0.000000000186 -1548.43195250 9 1.542871211519e+03 -8.268528257606e+03 2.858277364413e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323619029 LenY= 11323124117 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) PT106404.400S 2022-05-13T17:07:55.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.436901 0.215661 -0.095608 -0.289941 -0.374998 -0.294317 0.081075 0.339201 0.459309 -0.314936 -0.641272 0.252539 -0.700533 0.174627 -0.486757 -0.692807 -0.395858 -0.044442 0.004724 0.207626 -0.069851 -0.521459 -0.065410 -0.322988 -0.166523 0.172238 0.216393 0.179544 0.131734 0.141595 0.278207 0.174797 0.168311 0.167946 0.177964 0.175459 0.130830 0.122122 0.129436 0.159413 0.136793 0.165121 0.171316 0.157023 0.149795 -0.00000 -101.56094 -19.17707 -19.16421 -19.09856 -14.36700 -14.34487 -14.31262 -10.31950 -10.24667 -10.23088 -10.23045 -10.22402 -10.22327 -10.22173 -10.21951 -10.20503 -10.20264 -10.19708 -10.19611 -10.19459 -10.18686 -10.18494 -10.18376 -10.18317 -10.17256 -9.47558 -7.24002 -7.23053 -7.23010 -1.11122 -1.10315 -1.01961 -0.95651 -0.94254 -0.91054 -0.89585 -0.84577 -0.81176 -0.80150 -0.79113 -0.76092 -0.74540 -0.73051 -0.71761 -0.69420 -0.68962 -0.63554 -0.62592 -0.62080 -0.60301 -0.59232 -0.56548 -0.55451 -0.53472 -0.52155 -0.51517 -0.50647 -0.49531 -0.48899 -0.48516 -0.47256 -0.46739 -0.45936 -0.45368 -0.44975 -0.44635 -0.44533 -0.43635 -0.43257 -0.43144 -0.42309 -0.41786 -0.41221 -0.40381 -0.39850 -0.39318 -0.39014 -0.38319 -0.37634 -0.37284 -0.36857 -0.36798 -0.36223 -0.34669 -0.32502 -0.30640 -0.29395 -0.28895 -0.28841 -0.28719 -0.27470 -0.26705 -0.26623 -0.26026 -0.23692 -0.06155 -0.04039 -0.02796 -0.02274 -0.00553 -0.00029 0.00174 0.00921 0.01448 0.01565 0.01814 0.02613 0.02949 0.03175 0.03391 0.03789 0.03987 0.04612 0.05016 0.05107 0.05243 0.05553 0.06109 0.06619 0.06877 0.07076 0.07403 0.07484 0.07867 0.08102 0.08758 0.09297 0.09392 0.09517 0.10279 0.10517 0.10587 0.10839 0.11607 0.11824 0.11901 0.12223 0.12527 0.12776 0.12840 0.13370 0.13554 0.13994 0.14072 0.14357 0.14971 0.15066 0.15447 0.15770 0.15918 0.16235 0.16443 0.16568 0.16863 0.17189 0.17326 0.17645 0.17980 0.18314 0.18724 0.18786 0.19173 0.19253 0.19680 0.19872 0.20131 0.20319 0.20725 0.20865 0.20981 0.21223 0.21457 0.21769 0.21993 0.22389 0.22429 0.22896 0.23263 0.23435 0.23588 0.23704 0.24009 0.24181 0.24585 0.25130 0.25274 0.25339 0.25564 0.25798 0.26118 0.26221 0.26569 0.26971 0.27287 0.27512 0.28085 0.28151 0.28245 0.28388 0.28994 0.29644 0.29695 0.29796 0.30380 0.30449 0.30626 0.30851 0.30980 0.31278 0.31609 0.31934 0.32378 0.32979 0.33349 0.33623 0.34018 0.34546 0.35182 0.35254 0.35429 0.35862 0.36474 0.36870 0.36957 0.37352 0.37978 0.38779 0.39575 0.39905 0.40514 0.41004 0.41531 0.41834 0.42252 0.42538 0.43257 0.44016 0.44446 0.45229 0.46340 0.46416 0.47238 0.47492 0.48115 0.48776 0.49407 0.50165 0.50713 0.51157 0.51384 0.52137 0.53107 0.53502 0.53634 0.53993 0.54668 0.55580 0.56027 0.56158 0.56916 0.57325 0.57742 0.57897 0.58509 0.59620 0.60085 0.60404 0.60928 0.61593 0.61898 0.62579 0.62763 0.63219 0.63528 0.64205 0.64412 0.64629 0.65101 0.65790 0.66768 0.67014 0.67261 0.67382 0.68034 0.68635 0.68912 0.69195 0.69312 0.69961 0.70405 0.70963 0.71374 0.72082 0.72252 0.72590 0.73130 0.73759 0.74562 0.75072 0.75469 0.75781 0.76387 0.76792 0.77852 0.78670 0.79255 0.80064 0.80900 0.81857 0.82653 0.83864 0.84347 0.84537 0.85032 0.85660 0.86545 0.86694 0.87601 0.87890 0.88460 0.88972 0.89532 0.89784 0.90005 0.91222 0.91433 0.91633 0.92630 0.93534 0.94098 0.94616 0.95159 0.95545 0.96215 0.96395 0.97613 0.98357 0.98771 0.99117 1.00320 1.00630 1.01552 1.02074 1.03323 1.03425 1.04539 1.05109 1.05891 1.06740 1.07663 1.08322 1.09726 1.10590 1.11385 1.12182 1.12544 1.13598 1.14347 1.16001 1.16469 1.17995 1.18601 1.18917 1.20242 1.21656 1.22353 1.23493 1.23965 1.26075 1.26570 1.27935 1.28373 1.28586 1.29862 1.30949 1.31757 1.33011 1.34429 1.34861 1.35538 1.36945 1.37681 1.39037 1.39627 1.40387 1.41713 1.41772 1.42275 1.43289 1.44688 1.45419 1.45993 1.46578 1.47345 1.47784 1.49885 1.50500 1.51432 1.52384 1.52791 1.54478 1.54837 1.55702 1.55758 1.56185 1.56663 1.57182 1.57654 1.58020 1.58574 1.58980 1.59809 1.60564 1.61227 1.61936 1.62400 1.63027 1.64350 1.65084 1.65768 1.66045 1.68572 1.69130 1.69827 1.70849 1.71016 1.71646 1.72163 1.72523 1.73563 1.74454 1.74645 1.75229 1.76894 1.77279 1.77853 1.78224 1.79086 1.80473 1.82301 1.83032 1.83576 1.84262 1.84708 1.85838 1.86712 1.87304 1.87746 1.89142 1.89600 1.90037 1.90872 1.90980 1.91595 1.92313 1.93402 1.94993 1.95482 1.96188 1.97863 1.98711 1.99556 2.00476 2.02528 2.02755 2.03877 2.05123 2.05793 2.06636 2.07540 2.08727 2.10458 2.10992 2.12606 2.12951 2.14351 2.15223 2.16060 2.16596 2.17218 2.18415 2.19051 2.20599 2.21299 2.22253 2.23863 2.24491 2.25955 2.26473 2.26955 2.29629 2.30035 2.32750 2.33478 2.34693 2.38823 2.39399 2.40311 2.41106 2.42637 2.44747 2.45834 2.46909 2.47112 2.47718 2.48250 2.48731 2.50584 2.51027 2.52625 2.53149 2.53798 2.54386 2.54927 2.55225 2.55416 2.56729 2.57060 2.58927 2.59127 2.59890 2.60492 2.61593 2.61931 2.63297 2.63848 2.65558 2.65978 2.66504 2.68164 2.69380 2.70246 2.70695 2.71800 2.73218 2.74314 2.74600 2.75401 2.76312 2.76650 2.76976 2.78789 2.79273 2.80484 2.81353 2.82274 2.82588 2.83563 2.84321 2.85439 2.86333 2.87312 2.88754 2.89288 2.90245 2.91550 2.92006 2.93076 2.93774 2.94633 2.95737 2.96980 2.99453 3.00202 3.00831 3.02659 3.03395 3.04859 3.05177 3.05682 3.06755 3.07279 3.08631 3.10470 3.10943 3.13862 3.16036 3.16459 3.17451 3.20088 3.21441 3.23262 3.24982 3.25979 3.30340 3.33396 3.35659 3.37516 3.38984 3.40396 3.43047 3.44015 3.44198 3.48243 3.51261 3.55237 3.56771 3.58465 3.61129 3.63264 3.65297 3.69995 3.78150 3.78954 3.80141 3.81780 3.82582 3.83062 3.83859 3.84254 3.85763 3.90221 3.90892 3.93694 3.98138 3.98616 3.99429 4.00333 4.03864 4.06247 4.07381 4.09779 4.14224 4.19704 4.21778 4.26715 4.28860 4.35596 4.46261 4.48455 4.51294 4.75408 4.82203 4.84797 4.95424 5.07000 5.10540 5.13723 5.23751 5.26311 5.42892 5.51913 5.71923 5.77862 5.88231 9.79644 23.54331 23.70979 23.84852 23.86937 23.88405 23.88979 23.90715 23.91383 23.93499 23.95089 23.96604 23.97586 24.01123 24.03182 24.07669 24.09513 24.14878 24.16299 25.84962 26.19331 26.66995 35.58919 35.60302 35.69023 49.91715 49.95144 50.04459 215.79181 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.454519 0.232504 -0.113997 -0.278652 -0.294696 -0.372417 0.047824 0.385019 0.442778 -0.377228 -0.655422 0.268036 -0.801878 0.304595 -0.568063 -0.623229 -0.282141 -0.083041 0.090196 0.143011 -0.167100 -0.490864 -0.111007 -0.300429 -0.167183 0.183402 0.213995 0.176315 0.133654 0.144929 0.271154 0.178927 0.166572 0.168625 0.177797 0.177735 0.129405 0.122405 0.132013 0.165318 0.136025 0.156323 0.175602 0.158545 0.150123 -0.00000 3.55736605e-01 6.92995274e-01 -6.36680175e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.9042 1.7614 -0.1618 1.9865 -148.3157 -147.9086 -154.3608 -11.7222 7.0047 6.6608 1.8793 2.2864 -4.1658 -11.7222 7.0047 6.6608 53.8852 19.9958 -4.3458 -14.0881 -23.4170 16.6327 6.1710 -4.0839 -7.5307 -19.8143 -10094.8156 -3652.2473 -749.5128 -218.1967 23.9917 -55.1987 18.5926 35.0550 11.2430 -2150.8749 -1832.3104 -769.0940 -7.9746 -16.4757 18.1815 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1548.4319525 3.1E-9 8.398E-6 -0.3506871,3.5515357,-3.2008486,8.4157832,-5.9877135,4.0800773 C01 [X(C18H20Cl1N3O3)] 0.4172043 -0.6560204 0.0801395 0.000009694 -0.000004812 0.000002297 0.000035936 0.000018978 0.000007261 -0.000010686 -0.000001365 -0.000021100 -0.000001740 -0.000003168 -0.000017935 -0.000009723 -0.000006272 0.000002950 -0.000008041 0.000006761 -0.000002291 -0.000007424 -0.000007291 0.000001746 -0.000000766 -0.000004666 0.000000318 -0.000002131 0.000004582 -0.000000607 0.000004004 -0.000003115 0.000000308 0.000005942 0.000004331 0.000001626 -0.000016870 0.000013627 -0.000001705 -0.000003444 -0.000001277 -0.000001922 -0.000000911 -0.000009118 0.000006608 0.000010418 -0.000007092 0.000001956 0.000000517 0.000004367 -0.000001817 0.000013608 0.000014287 0.000006878 -0.000035433 -0.000035621 -0.000014234 0.000001425 0.000005531 -0.000005787 -0.000002098 -0.000002134 -0.000003070 0.000003522 0.000001273 0.000001779 -0.000003628 -0.000002511 -0.000000828 0.000026628 0.000013565 0.000029672 -0.000002459 0.000000274 0.000000353 -0.000013146 -0.000001423 0.000010015 -0.000001701 0.000001385 -0.000000993 -0.000000050 -0.000001015 0.000000098 -0.000002002 0.000001790 0.000000848 0.000000864 -0.000001223 -0.000000372 -0.000001382 0.000000033 -0.000000199 0.000001707 -0.000004531 0.000000563 0.000000464 -0.000000065 -0.000000965 -0.000001020 0.000000951 0.000000076 -0.000001167 -0.000001031 -0.000001286 0.000005466 0.000004423 0.000003193 0.000004108 0.000002298 0.000002322 -0.000001167 -0.000000601 -0.000000804 -0.000000485 0.000000330 -0.000000806 -0.000000193 0.000000274 -0.000000625 0.000001677 -0.000000047 -0.000000812 -0.000000178 0.000000562 -0.000001014 -0.000000065 -0.000001043 0.000000769 0.000000983 -0.000000994 -0.000000586 0.000000365 0.000000012 -0.000001605 0.000000582 0.000000783 -0.000000272 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2705,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; Gaussian 16 GINC-ESTREMERA APULGAR Optimization pyribencarb CONF72 gas EM64L-G16RevC.01 129 C1[X(C18H20ClN3O3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2706,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; Optimization pyribencarb CONF72 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/gas/CONF72/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 2 3 3 4 5 5 5 6 7 7 8 8 8 9 9 9 10 11 11 12 13 13 14 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 24 24 24 25 25 25 12 6 18 23 25 23 11 23 31 14 17 19 10 11 12 10 13 14 26 27 28 15 15 29 16 30 32 33 34 18 20 35 36 21 24 22 37 22 38 39 40 41 42 43 44 45 1.7642 1.3965 1.4269 1.3558 1.4393 1.2121 1.4495 1.3681 1.009 1.2844 1.3365 1.3404 1.3885 1.5236 1.4016 1.4025 1.3989 1.4863 1.08 1.0923 1.0919 1.3886 1.3928 1.0824 1.5056 1.0825 1.0867 1.0944 1.0931 1.5158 1.3953 1.0934 1.0927 1.3985 1.5062 1.3907 1.0807 1.3915 1.0835 1.0842 1.0934 1.0915 1.0935 1.0895 1.0914 1.0876 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 23 11 11 23 2 17 10 10 11 10 10 13 8 8 9 5 5 5 8 8 27 1 1 8 9 9 15 6 6 9 12 12 13 14 14 14 32 32 33 7 7 18 2 2 2 17 17 35 7 7 21 17 17 22 19 19 22 20 20 21 3 3 4 19 19 19 40 40 41 3 3 3 43 43 44 2 3 5 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 18 25 23 31 31 14 19 11 12 12 13 14 14 9 26 26 8 27 28 27 28 28 8 15 15 15 29 29 9 16 16 13 30 30 32 33 34 33 34 34 18 20 20 17 35 36 35 36 36 21 24 24 22 37 37 22 38 38 21 39 39 4 5 5 40 41 42 41 42 42 43 44 45 44 45 45 108.9772 115.2255 120.9591 118.3878 116.0733 113.9977 119.0941 121.3623 117.3439 121.2731 118.2841 120.0952 121.6041 122.6143 119.5396 117.8417 114.6912 107.9374 108.3301 109.0072 109.7689 106.8057 119.974 118.3809 121.6431 120.3937 121.0256 118.5807 115.402 124.714 119.8787 119.7164 119.6959 120.5868 111.0621 110.1551 110.3314 108.4566 109.2494 107.4957 114.3346 122.9579 122.6997 114.2602 110.1587 104.8991 109.5201 109.3418 108.4357 121.7438 116.3941 121.8609 118.0301 120.4237 121.5452 118.9326 120.2159 120.8495 119.2398 120.3527 120.4059 124.6224 110.001 125.3765 110.1664 111.8632 110.1885 108.6891 107.0113 108.7828 110.412 110.6213 105.3756 109.4184 110.2252 110.737 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 18 6 6 6 25 25 23 23 23 23 23 23 31 31 31 11 11 31 31 2 2 19 19 17 17 11 11 12 12 10 10 10 12 12 12 10 10 11 11 13 13 14 14 10 10 14 14 10 10 13 13 1 1 8 8 9 9 29 29 6 6 6 9 9 9 7 7 7 20 20 20 7 7 18 18 7 7 24 24 7 7 7 21 21 21 17 17 37 37 19 19 38 38 2 2 2 2 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 17 19 19 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 6 18 18 18 23 23 25 25 25 11 11 11 11 11 11 23 23 23 23 14 14 17 17 19 19 10 10 10 10 11 11 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 18 18 20 20 20 20 21 21 21 21 24 24 24 24 24 24 22 22 22 22 22 22 22 22 14 17 35 36 4 5 43 44 45 8 27 28 8 27 28 3 4 3 4 9 16 18 20 21 24 9 26 9 26 5 27 28 5 27 28 1 15 1 15 8 26 8 26 15 29 15 29 6 16 6 16 13 30 13 30 12 30 12 30 32 33 34 32 33 34 2 35 36 2 35 36 22 37 22 37 22 38 22 38 40 41 42 40 41 42 21 39 21 39 20 39 20 39 175.8392 -75.6721 48.0986 164.6032 -3.9489 176.1683 -57.6912 63.5779 -176.697 80.5996 -41.1094 -156.4113 -74.4662 163.8248 48.5229 -166.1837 13.9347 -10.5709 169.5474 -178.3255 0.8323 178.5345 -0.4709 0.3269 179.9302 -178.2037 1.0116 0.1599 179.3751 -10.9366 110.1872 -133.1489 170.7642 -68.112 48.5518 -178.9991 0.4756 -0.634 178.8407 -0.5534 -179.7813 177.9889 -1.2389 0.3235 -179.6816 -178.1957 1.7992 9.4506 -169.7509 -172.0565 8.7419 178.7832 -0.8695 -0.6995 179.6477 0.2832 179.9328 -179.7118 -0.0622 -6.3819 113.7989 -127.6774 172.7406 -67.0785 51.4451 176.3117 52.1986 -66.489 -4.68 -128.7931 112.5193 0.2204 -179.4196 -178.7027 1.6573 0.0559 179.5492 -179.5257 -0.0323 60.5872 -178.4034 -57.2597 -119.8101 1.1994 122.343 0.1724 -179.3709 179.8081 0.2648 -0.3029 179.2401 -179.7929 -0.2499 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00030 0.00047 0.00171 0.00223 0.00274 0.00349 0.00555 0.00876 0.01051 0.01328 0.01484 0.01564 0.01693 0.01710 0.01722 0.01797 0.02001 0.02031 0.02176 0.02225 0.02311 0.02405 0.02452 0.02608 0.02677 0.02709 0.02812 0.02877 0.02982 0.04728 0.04989 0.05321 0.05534 0.05630 0.05726 0.05752 0.05778 0.06571 0.07881 0.08345 0.08425 0.09395 0.10221 0.11023 0.11408 0.11536 0.11610 0.11783 0.11991 0.12103 0.12145 0.12245 0.12590 0.12834 0.13846 0.14098 0.14267 0.14649 0.14758 0.15389 0.15521 0.18268 0.18356 0.18677 0.18890 0.19207 0.19332 0.19906 0.20131 0.20271 0.20844 0.21173 0.22040 0.22191 0.22512 0.22814 0.23518 0.24564 0.24976 0.25597 0.26812 0.28251 0.29387 0.30498 0.30716 0.31072 0.31164 0.32605 0.33119 0.33162 0.33310 0.33335 0.33484 0.33667 0.33751 0.33789 0.33970 0.34296 0.34408 0.34470 0.34713 0.35289 0.35581 0.35797 0.35879 0.36101 0.36870 0.37039 0.37143 0.37711 0.38797 0.40434 0.42970 0.43556 0.43803 0.44213 0.45657 0.46543 0.46594 0.46981 0.47319 0.48402 0.49890 0.50170 0.50470 0.54426 0.72327 0.83710 1.61226 Angle between quadratic step and forces= 84.42 degrees. 1 2 0.00077313 0.00000091 0.00000088 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 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 3.33383 2.63901 2.69647 2.56214 2.71984 2.29062 2.73918 2.58542 1.90672 2.42717 2.52556 2.53307 2.62388 2.87915 2.64859 2.65025 2.64354 2.80872 2.04098 2.06411 2.06331 2.62404 2.63203 2.04539 2.84519 2.04558 2.05355 2.06809 2.06564 2.86445 2.63675 2.06632 2.06489 2.64272 2.84633 2.62806 2.04221 2.62947 2.04758 2.04884 2.06623 2.06266 2.06638 2.05890 2.06241 2.05535 1.90201 2.01107 2.11114 2.06626 2.02586 1.98963 2.07858 2.11817 2.04804 2.11661 2.06445 2.09606 2.12239 2.14002 2.08636 2.05673 2.00174 1.88386 1.89072 1.90254 1.91583 1.86411 2.09394 2.06614 2.12307 2.10127 2.11230 2.06962 2.01415 2.17667 2.09228 2.08945 2.08909 2.10464 1.93840 1.92257 1.92565 1.89292 1.90676 1.87615 1.99552 2.14602 2.14151 1.99422 1.92263 1.83083 1.91149 1.90837 1.89256 2.12483 2.03146 2.12687 2.06001 2.10179 2.12136 2.07577 2.09816 2.10922 2.08113 2.10055 2.10148 2.17507 1.91988 2.18823 1.92277 1.95238 1.92315 1.89698 1.86770 1.89862 1.92705 1.93071 1.83915 1.90971 1.92379 1.93273 3.06897 -1.32073 0.83948 2.87287 -0.06892 3.07472 -1.00690 1.10964 -3.08395 1.40673 -0.71749 -2.72989 -1.29968 2.85928 0.84688 -2.90045 0.24321 -0.18450 2.95916 -3.11237 0.01453 3.11602 -0.00822 0.00571 3.14037 -3.11024 0.01766 0.00279 3.13069 -0.19088 1.92313 -2.32389 2.98040 -1.18878 0.84739 -3.12412 0.00830 -0.01106 3.12136 -0.00966 -3.13777 3.10649 -0.02162 0.00565 -3.13604 -3.11010 0.03140 0.16494 -2.96271 -3.00295 0.15258 3.12036 -0.01518 -0.01221 3.13544 0.00494 3.14042 -3.13656 -0.00109 -0.11139 1.98617 -2.22839 3.01489 -1.17074 0.89789 3.07722 0.91104 -1.16045 -0.08168 -2.24786 1.96383 0.00385 -3.13146 -3.11895 0.02893 0.00098 3.13373 -3.13331 -0.00056 1.05745 -3.11373 -0.99937 -2.09108 0.02093 2.13529 0.00301 -3.13061 3.13824 0.00462 -0.00529 3.12833 -3.13798 -0.00436 -0.00001 0.00001 -0.00003 -0.00003 -0.00001 0.00002 -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 0.00001 -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 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00007 0.00006 -0.00015 -0.00009 -0.00004 0.00003 -0.00003 0.00001 0.00000 0.00000 -0.00003 0.00002 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00003 0.00002 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00000 0.00000 0.00003 0.00002 0.00002 0.00002 0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00003 0.00003 -0.00000 -0.00002 0.00002 -0.00001 0.00001 -0.00000 0.00002 0.00002 -0.00003 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00002 0.00002 -0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00005 0.00001 -0.00006 0.00001 0.00009 0.00005 -0.00005 -0.00003 -0.00006 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00001 -0.00010 0.00000 0.00011 -0.00001 0.00003 0.00002 -0.00002 -0.00001 -0.00000 -0.00004 0.00005 0.00006 0.00006 -0.00032 -0.00033 -0.00073 -0.00075 -0.00073 0.00046 0.00049 0.00049 0.00031 0.00034 0.00034 -0.00038 -0.00039 -0.00023 -0.00024 0.00003 -0.00003 -0.00001 -0.00001 0.00001 0.00019 -0.00004 -0.00004 -0.00005 -0.00005 -0.00021 -0.00024 -0.00024 -0.00020 -0.00023 -0.00023 0.00003 0.00001 0.00001 -0.00000 0.00005 0.00006 0.00006 0.00007 -0.00003 -0.00001 -0.00003 -0.00002 0.00028 0.00033 0.00028 0.00033 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00029 -0.00030 -0.00031 -0.00034 -0.00036 -0.00037 -0.00022 -0.00031 -0.00018 -0.00023 -0.00031 -0.00018 -0.00000 0.00002 -0.00000 0.00003 -0.00001 -0.00004 -0.00019 -0.00022 0.00273 0.00259 0.00273 0.00290 0.00276 0.00291 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00002 0.00003 0.00001 -0.00007 0.00006 -0.00015 -0.00009 -0.00004 0.00003 -0.00003 0.00001 0.00000 0.00000 -0.00003 0.00002 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00003 0.00002 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00000 0.00000 0.00003 0.00002 0.00002 0.00002 0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00003 0.00003 -0.00000 -0.00002 0.00002 -0.00001 0.00001 -0.00000 0.00002 0.00002 -0.00003 -0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00002 0.00002 -0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00005 0.00001 -0.00006 0.00001 0.00009 0.00005 -0.00005 -0.00003 -0.00006 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00001 -0.00010 0.00000 0.00011 -0.00001 0.00003 0.00002 -0.00002 -0.00001 -0.00000 -0.00004 0.00005 0.00006 0.00006 -0.00032 -0.00033 -0.00073 -0.00075 -0.00073 0.00046 0.00049 0.00049 0.00031 0.00034 0.00034 -0.00038 -0.00039 -0.00023 -0.00024 0.00003 -0.00003 -0.00001 -0.00001 0.00001 0.00019 -0.00004 -0.00004 -0.00005 -0.00005 -0.00021 -0.00024 -0.00024 -0.00020 -0.00023 -0.00023 0.00003 0.00001 0.00001 -0.00000 0.00005 0.00006 0.00006 0.00007 -0.00003 -0.00001 -0.00003 -0.00002 0.00028 0.00033 0.00028 0.00033 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00029 -0.00030 -0.00031 -0.00034 -0.00036 -0.00037 -0.00022 -0.00031 -0.00018 -0.00023 -0.00031 -0.00018 -0.00000 0.00002 -0.00000 0.00003 -0.00001 -0.00004 -0.00019 -0.00022 0.00273 0.00259 0.00273 0.00290 0.00276 0.00291 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00002 0.00003 0.00001 3.33377 2.63908 2.69632 2.56206 2.71980 2.29065 2.73916 2.58543 1.90672 2.42717 2.52553 2.53309 2.62389 2.87916 2.64859 2.65024 2.64355 2.80873 2.04098 2.06411 2.06331 2.62407 2.63201 2.04539 2.84517 2.04559 2.05355 2.06809 2.06564 2.86449 2.63677 2.06634 2.06491 2.64272 2.84633 2.62805 2.04222 2.62948 2.04758 2.04884 2.06626 2.06267 2.06634 2.05891 2.06241 2.05535 1.90205 2.01108 2.11116 2.06628 2.02588 1.98961 2.07858 2.11815 2.04806 2.11662 2.06445 2.09607 2.12237 2.14002 2.08633 2.05676 2.00174 1.88384 1.89074 1.90253 1.91584 1.86411 2.09396 2.06615 2.12304 2.10126 2.11229 2.06963 2.01415 2.17669 2.09225 2.08947 2.08906 2.10464 1.93841 1.92255 1.92565 1.89292 1.90678 1.87615 1.99557 2.14603 2.14145 1.99423 1.92272 1.83088 1.91143 1.90834 1.89250 2.12483 2.03145 2.12688 2.06001 2.10179 2.12137 2.07577 2.09817 2.10922 2.08112 2.10056 2.10148 2.17508 1.91990 2.18821 1.92275 1.95238 1.92316 1.89688 1.86770 1.89873 1.92705 1.93073 1.83917 1.90969 1.92378 1.93272 3.06893 -1.32067 0.83954 2.87292 -0.06924 3.07439 -1.00763 1.10890 -3.08467 1.40719 -0.71701 -2.72940 -1.29937 2.85962 0.84722 -2.90083 0.24282 -0.18472 2.95892 -3.11234 0.01450 3.11601 -0.00823 0.00572 3.14056 -3.11028 0.01761 0.00274 3.13063 -0.19109 1.92289 -2.32413 2.98020 -1.18901 0.84716 -3.12410 0.00831 -0.01105 3.12136 -0.00960 -3.13771 3.10655 -0.02156 0.00562 -3.13605 -3.11014 0.03139 0.16522 -2.96238 -3.00267 0.15291 3.12036 -0.01518 -0.01220 3.13546 0.00494 3.14042 -3.13658 -0.00111 -0.11167 1.98586 -2.22871 3.01455 -1.17110 0.89752 3.07700 0.91073 -1.16063 -0.08191 -2.24818 1.96365 0.00384 -3.13144 -3.11895 0.02895 0.00097 3.13369 -3.13351 -0.00078 1.06018 -3.11114 -0.99664 -2.08818 0.02369 2.13820 0.00302 -3.13059 3.13823 0.00462 -0.00529 3.12831 -3.13795 -0.00435 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000033 0.000004 0.004381 0.000773 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.124544e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 703 A 678 A 678 1077 703 95 95 2318.9971041078 45 45 45 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 -0.0493749336 0.000000 8.058344 0.000000 6.639347 5.526669 0.000000 5.468955 5.967484 2.274878 0.000000 4.519734 6.035508 2.231371 2.293764 0.000000 6.685143 1.396505 4.676112 4.936803 4.805621 0.000000 9.841459 3.657087 4.560314 5.616972 6.298891 4.158418 0.000000 2.747265 5.528135 4.283743 3.487638 2.503486 4.135596 7.118808 0.000000 4.552660 3.613087 5.179926 4.701849 4.263695 2.344489 6.238872 2.448247 0.000000 4.019525 4.139886 3.979166 3.521620 2.864662 2.747998 5.974961 1.388497 1.402453 0.000000 3.082230 6.436040 3.589949 2.839834 1.449513 5.084043 7.305111 1.523579 3.845539 2.539925 0.000000 1.764188 6.313361 5.677454 4.673164 3.800582 4.952265 8.324561 1.401574 2.788905 2.383301 2.550052 0.000000 4.017327 4.765994 6.373411 5.630030 5.118794 3.630247 7.603209 2.814400 1.398900 2.404798 4.337728 2.405310 0.000000 6.038188 2.249198 5.473259 5.308446 5.128674 1.284404 5.359147 3.796727 1.486310 2.503291 5.038920 4.274593 2.518975 0.000000 2.714661 6.010570 6.583573 5.621306 4.935607 4.765200 8.544478 2.436111 2.422474 2.768332 3.834516 1.388585 1.392810 3.794016 0.000000 6.917562 2.710105 6.932384 6.642558 6.598865 2.473677 6.186717 5.030175 2.589510 3.864636 6.386682 5.202448 2.977705 1.505608 4.366265 0.000000 8.976173 2.472071 4.557937 5.240256 5.908829 3.003296 1.336467 6.280532 5.108548 5.040552 6.703633 7.377159 6.432307 4.129899 7.453313 4.885545 0.000000 8.818618 1.426911 5.059509 5.918725 6.062633 2.298328 2.398612 6.138713 4.636700 4.800481 6.761996 7.135820 5.921674 3.469010 7.055765 4.130466 1.515803 0.000000 10.318480 4.777238 4.722287 5.577334 6.649898 5.159933 1.340442 7.670235 7.035252 6.648445 7.691814 8.904067 8.377460 6.281891 9.224624 7.121579 2.307618 3.652522 0.000000 8.553127 2.860480 4.739544 4.785879 5.883422 3.144037 2.400417 5.994677 4.833704 4.822969 6.482091 6.992135 6.052102 3.968225 7.029533 4.624353 1.395310 2.555339 2.747346 0.000000 10.002760 5.050853 4.901088 5.162492 6.653424 5.305462 2.392698 7.487465 6.902979 6.539647 7.535356 8.643159 8.157060 6.244855 8.949382 7.017624 2.726150 4.238996 1.398469 2.400142 0.000000 9.117261 4.250356 4.905450 4.740658 6.273036 4.430896 2.777954 6.664542 5.862989 5.667113 6.931488 7.698011 7.035531 5.191372 7.872179 5.861728 2.388462 3.806429 2.403048 1.390709 1.391454 0.000000 5.443274 5.710169 1.355827 1.212144 1.368145 4.637922 5.389118 3.247301 4.542987 3.234379 2.452197 4.587264 5.570280 5.141723 5.590963 6.590107 5.097454 5.565630 5.541576 4.961952 5.431440 5.136154 0.000000 11.441700 6.072628 5.334354 6.486874 7.460841 6.469052 2.420852 8.805357 8.360571 7.861404 8.646555 10.103549 9.728522 7.649735 10.523776 8.534768 3.662019 4.807275 1.506215 4.252461 2.539322 3.801731 6.353067 0.000000 7.754014 5.562726 1.439278 2.676462 3.553630 4.993870 3.749071 5.348616 5.889008 4.860956 4.789321 6.716261 7.151286 5.916887 7.508614 7.261217 3.993845 4.877690 3.573066 4.109762 3.679872 3.950253 2.360742 4.108504 0.000000 4.884194 3.705955 3.054122 3.021563 2.483305 2.386376 5.018534 2.138488 2.132650 1.080042 2.737945 3.369048 3.374316 2.672831 3.848208 4.161032 4.203784 4.077878 5.683018 4.132125 5.678557 4.949089 2.565397 6.838935 3.878776 0.000000 3.100048 7.010153 3.918710 2.553098 2.066251 5.689684 7.677396 2.144383 4.401361 3.176086 1.092281 2.893980 4.792870 5.597166 4.184592 6.875896 7.085706 7.335257 7.899130 6.679169 7.566418 6.942707 2.611102 8.859672 4.928218 3.385824 0.000000 2.822904 7.243372 4.298687 3.811906 2.070917 5.878350 8.190873 2.153773 4.521049 3.311903 1.091854 2.779937 4.827641 5.784926 4.120521 7.100117 7.630016 7.576554 8.622260 7.500576 8.544484 7.986569 3.303485 9.506204 5.605261 3.595460 1.753527 0.000000 4.848318 4.917321 7.320525 6.598282 6.176927 4.010517 8.072224 3.896514 2.165474 3.398213 5.419790 3.377093 1.082372 2.756728 2.133975 2.628084 6.831809 6.212995 8.898027 6.435381 8.669523 7.482834 6.576018 10.291352 8.017049 4.282570 5.850939 5.887248 0.000000 2.830392 6.916619 7.629621 6.573572 5.895965 5.734147 9.583740 3.410015 3.406318 3.850713 4.691792 2.142239 2.155462 4.671680 1.082475 4.997510 8.461807 8.032302 10.262648 7.993899 9.945973 8.825700 6.594891 11.580846 8.562466 4.930641 4.948069 4.835910 2.461492 0.000000 4.990745 5.932083 2.313372 3.142781 1.008991 4.753852 6.218510 2.937460 4.433971 3.111879 2.123640 4.209469 5.347449 5.186275 5.257729 6.676825 5.903279 5.875264 6.706079 6.107158 6.914297 6.622618 2.025674 7.431110 3.742399 2.635152 2.961885 2.410023 6.370156 6.225358 0.000000 7.939497 2.273531 7.232165 7.110211 7.209489 2.630440 5.750249 5.900481 3.497663 4.639022 7.167493 6.205062 4.048220 2.150288 5.434831 1.086692 4.464250 3.656212 6.717423 4.292204 6.675490 5.568929 7.057195 8.112155 7.387610 4.727156 7.654751 7.929502 3.703969 6.082455 7.245391 0.000000 6.972222 3.403269 7.573427 7.380531 7.045881 3.143130 7.009239 5.321312 2.926738 4.270514 6.743001 5.315540 2.985214 2.144764 4.332377 1.094384 5.752223 4.803447 8.028173 5.635151 8.019866 6.907717 7.222612 9.396282 8.041140 4.692542 7.323554 7.321676 2.404963 4.824845 7.030347 1.769627 0.000000 6.749444 3.532131 7.328759 6.696571 6.884405 3.214971 6.750195 5.120487 2.821321 4.108166 6.513049 5.118669 2.889886 2.146005 4.182867 1.093090 5.418883 4.909084 7.540595 4.882816 7.236663 5.968610 6.826496 9.007105 7.612058 4.540544 6.849864 7.263309 2.410423 4.694197 7.108728 1.777350 1.764028 0.000000 8.590299 2.075354 4.560204 5.766699 5.565195 2.466775 2.630701 5.889883 4.666849 4.626665 6.381679 6.966950 5.990471 3.711250 7.019153 4.607116 2.144976 1.093448 3.923277 3.301533 4.699773 4.446413 5.202109 4.877753 4.570786 3.819910 7.062435 7.099032 6.393441 8.025997 5.221727 4.307799 5.135847 5.469707 0.000000 9.827882 2.007943 6.054300 6.982873 7.130271 3.197210 2.727888 7.177217 5.530384 5.822418 7.838027 8.121936 6.741459 4.239081 7.946070 4.606804 2.142145 1.092694 3.980868 3.208394 4.685707 4.371932 6.633226 4.987295 5.781966 5.144980 8.425141 8.630882 6.906910 8.881643 6.896144 3.918834 5.197348 5.417941 1.773499 0.000000 8.003257 2.513961 5.152724 4.884906 5.900784 2.684789 3.367902 5.559341 4.125698 4.356672 6.267094 6.396002 5.230847 3.215125 6.271460 3.710040 2.154521 2.782936 3.827278 1.080694 3.392077 2.162071 5.128374 5.331542 4.755968 3.878879 6.458996 7.286206 5.520535 7.180493 6.178288 3.440562 4.767182 3.854260 3.599943 3.459458 0.000000 10.593755 6.117827 5.419444 5.527093 7.220620 6.322885 3.365701 8.183767 7.781936 7.345082 8.107656 9.335823 8.997965 7.213356 9.710562 7.982354 3.809214 5.320900 2.157529 3.390210 1.083534 2.157876 5.920156 2.760225 4.078586 6.500588 8.021266 9.116762 9.536969 10.690930 7.553256 7.662294 9.006675 8.122354 5.752805 5.740126 4.303466 0.000000 9.044957 4.909237 5.424032 4.796974 6.578972 4.971915 3.862103 6.786529 6.061549 5.901883 7.072766 7.708709 7.098998 5.516751 7.859642 6.085863 3.380392 4.700858 3.392410 2.152536 2.153767 1.084198 5.423543 4.688438 4.506510 5.323576 6.932278 8.156549 7.521712 8.749550 7.067080 5.868507 7.167405 5.995994 5.382007 5.281305 2.504012 2.495819 0.000000 12.266386 6.283786 6.247820 7.473531 8.338376 6.881336 2.725872 9.582408 8.934472 8.553506 9.516904 10.857827 10.303469 8.082799 11.189484 8.847072 3.990708 4.956131 2.144700 4.730193 3.247740 4.421070 7.293202 1.093402 5.104702 7.542566 9.791410 10.364668 10.789595 12.239666 8.237664 8.310053 9.671913 9.375726 5.072671 4.894866 5.783310 3.509116 5.335738 0.000000 11.880080 6.929726 5.757913 6.694519 7.906691 7.262690 3.345525 9.327464 9.023502 8.467872 9.076555 10.621284 10.363808 8.387544 11.096056 9.272214 4.467110 5.741393 2.164384 4.795080 2.656734 4.041833 6.704242 1.091515 4.405436 7.464402 9.170220 9.956630 10.952412 12.142610 7.976855 8.874829 10.184880 9.651804 5.868039 5.959738 5.865897 2.424285 4.744859 1.775326 0.000000 11.191028 6.247511 4.817363 6.281810 7.001650 6.502657 2.703672 8.568319 8.325815 7.699916 8.284228 9.916135 9.713607 7.724609 10.434107 8.741836 3.974282 4.941040 2.145036 4.724524 3.262223 4.427231 5.976734 1.093480 3.701518 6.637185 8.561282 9.062066 10.347827 11.509023 6.873431 8.403298 9.537617 9.283730 4.766212 5.208778 5.774790 3.532736 5.343316 1.758068 1.776431 0.000000 7.693097 4.806571 2.086243 2.656913 3.876771 4.328640 3.132644 5.193263 5.361795 4.515852 4.917374 6.503165 6.641967 5.236787 7.135346 6.484176 3.162229 4.198765 2.967952 3.071730 2.854939 2.907031 2.637107 3.857691 1.089524 3.554553 5.023936 5.856306 7.428510 8.185888 4.160395 6.549699 7.343155 6.780408 4.113403 5.113801 3.717780 3.394809 3.470051 4.820532 4.191934 3.726702 0.000000 8.030158 6.532900 2.090231 2.691883 3.945854 5.938477 4.567777 5.846465 6.635639 5.546749 5.104733 7.169184 7.820028 6.774325 8.053934 8.100143 4.869308 5.881080 4.115924 4.796879 3.991218 4.357206 2.683257 4.484871 1.091379 4.656162 5.032314 5.897729 8.716819 9.072285 4.294803 8.257973 8.914423 8.349979 5.639060 6.768651 5.439418 4.110427 4.726179 5.551385 4.522636 4.118676 1.780120 0.000000 8.596698 5.686844 2.021044 3.732172 4.249540 5.303354 3.386730 6.120463 6.497911 5.535661 5.586041 7.511272 7.819934 6.368298 8.262443 7.687812 3.949708 4.770175 3.246673 4.389079 3.737757 4.284739 3.238482 3.471463 1.087644 4.489322 5.848025 6.317456 8.647409 9.333674 4.204790 7.708192 8.430522 8.154814 4.346470 5.551606 5.171563 4.159300 5.015238 4.407314 3.881553 2.851068 1.785883 1.792954 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5336,-1.0493,.3933;1.4509,2.799,-.766;.7541,-2.6793,-.9809;-.3295,-2.6101,1.0182;-1.4683,-2.4797,-.9687;.3293,1.9692,-.7047;4.1546,.3398,-.6376;-2.891,-.5735,-.1879;-1.9171,1.6711,-.1036;-1.8118,.2898,-.3219;-2.7354,-2.0752,-.3926;-4.1224,-.0128,.1777;-3.1655,2.1927,.2518;-.7152,2.5377,-.2193;-4.2673,1.3519,.3894;-.7773,3.9712,.237;3.1598,1.1095,-.1859;2.5665,2.038,-1.2269;4.7684,-.4966,.2112;2.717,1.079,1.1369;4.3909,-.5897,1.5545;3.3492,.2081,2.0178;-.3462,-2.5907,-.1937;5.8795,-1.3364,-.3624;2.0098,-2.714,-.2782;-.8439,-.1058,-.5924;-2.8429,-2.5786,.5708;-3.5379,-2.4457,-1.0336;-3.2982,3.2528,.4257;-5.2345,1.752,.6653;-1.3135,-2.3138,-1.9519;.2057,4.4335,.2072;-1.4492,4.5439,-.4097;-1.1721,4.0291,1.2546;2.2892,1.4624,-2.1143;3.3132,2.7813,-1.5165;1.9022,1.7132,1.456;4.8994,-1.2797,2.2173;3.0288,.1464,3.0517;6.6739,-.6946,-.753;6.3077,-2.0084,.3835;5.5081,-1.9319,-1.2009;2.1198,-1.8288,.3473;2.0777,-3.6084,.3436;2.7734,-2.7245,-1.0526; 0.3143516 0.1235642 0.0965081 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= 678 RedAO= T EigKep= 1.56D-06 NBF= 678 NBsUse= 674 1.00D-06 EigRej= 9.23D-07 NBFU= 674 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= 693 693 693 693 693 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1548.43195250010 -1548.43195250 1 1.542871211373e+03 -8.268528259292e+03 2.858277366245e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323619029 LenY= 11323124117 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 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. 13943 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= 135 IRICut= 337 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= 135 NMatS0= 135 NMatT0= 0 NMatD0= 135 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 74.56% of shell-pairs survive, threshold= 0.20 IRatSp=75. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 5.50D-14 1.00D-09 XBig12= 3.58D+02 1.10D+01. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 5.50D-14 1.00D-09 XBig12= 7.72D+01 1.30D+00. 135 vectors produced by pass 2 Test12= 5.50D-14 1.00D-09 XBig12= 6.85D-01 7.23D-02. 135 vectors produced by pass 3 Test12= 5.50D-14 1.00D-09 XBig12= 3.26D-03 6.10D-03. 135 vectors produced by pass 4 Test12= 5.50D-14 1.00D-09 XBig12= 8.44D-06 2.41D-04. 124 vectors produced by pass 5 Test12= 5.50D-14 1.00D-09 XBig12= 1.52D-08 1.01D-05. 47 vectors produced by pass 6 Test12= 5.50D-14 1.00D-09 XBig12= 2.00D-11 2.57D-07. 3 vectors produced by pass 7 Test12= 5.50D-14 1.00D-09 XBig12= 2.61D-14 1.20D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 849 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 262.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 343.427 -11.096 251.883 -20.538 -1.099 193.204 464.150 -12.616 377.736 -45.607 -2.730 338.729 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT57406.200S 2022-05-13T19:07:40.000 -101.56094 -19.17707 -19.16421 -19.09856 -14.36700 -14.34487 -14.31262 -10.31950 -10.24667 -10.23088 -10.23045 -10.22402 -10.22327 -10.22173 -10.21951 -10.20503 -10.20264 -10.19708 -10.19611 -10.19459 -10.18686 -10.18494 -10.18376 -10.18317 -10.17256 -9.47558 -7.24002 -7.23053 -7.23010 -1.11122 -1.10315 -1.01961 -0.95651 -0.94254 -0.91054 -0.89585 -0.84577 -0.81176 -0.80150 -0.79113 -0.76092 -0.74540 -0.73051 -0.71761 -0.69420 -0.68962 -0.63554 -0.62592 -0.62080 -0.60301 -0.59232 -0.56548 -0.55451 -0.53472 -0.52155 -0.51517 -0.50647 -0.49531 -0.48899 -0.48516 -0.47256 -0.46739 -0.45936 -0.45368 -0.44975 -0.44635 -0.44533 -0.43635 -0.43257 -0.43144 -0.42309 -0.41786 -0.41221 -0.40381 -0.39850 -0.39318 -0.39014 -0.38319 -0.37634 -0.37284 -0.36857 -0.36798 -0.36223 -0.34669 -0.32502 -0.30640 -0.29395 -0.28895 -0.28841 -0.28719 -0.27470 -0.26705 -0.26623 -0.26026 -0.23692 -0.06155 -0.04039 -0.02796 -0.02274 -0.00553 -0.00029 0.00174 0.00921 0.01448 0.01565 0.01814 0.02613 0.02949 0.03175 0.03391 0.03789 0.03987 0.04612 0.05016 0.05107 0.05243 0.05553 0.06109 0.06619 0.06877 0.07076 0.07403 0.07484 0.07867 0.08102 0.08758 0.09297 0.09392 0.09517 0.10279 0.10517 0.10587 0.10839 0.11607 0.11824 0.11901 0.12223 0.12527 0.12776 0.12840 0.13370 0.13554 0.13994 0.14072 0.14357 0.14971 0.15066 0.15447 0.15770 0.15918 0.16235 0.16443 0.16568 0.16863 0.17189 0.17326 0.17645 0.17980 0.18314 0.18724 0.18786 0.19173 0.19253 0.19680 0.19872 0.20131 0.20319 0.20725 0.20865 0.20981 0.21223 0.21457 0.21769 0.21993 0.22389 0.22429 0.22896 0.23263 0.23435 0.23588 0.23704 0.24009 0.24181 0.24585 0.25130 0.25274 0.25339 0.25564 0.25798 0.26118 0.26221 0.26569 0.26971 0.27287 0.27512 0.28085 0.28151 0.28245 0.28388 0.28994 0.29644 0.29695 0.29796 0.30380 0.30449 0.30626 0.30851 0.30980 0.31278 0.31609 0.31934 0.32378 0.32979 0.33349 0.33623 0.34018 0.34546 0.35182 0.35254 0.35429 0.35862 0.36474 0.36870 0.36957 0.37352 0.37978 0.38779 0.39575 0.39905 0.40514 0.41004 0.41531 0.41834 0.42252 0.42538 0.43257 0.44016 0.44446 0.45229 0.46340 0.46416 0.47238 0.47492 0.48115 0.48776 0.49407 0.50165 0.50713 0.51157 0.51384 0.52137 0.53107 0.53502 0.53634 0.53993 0.54668 0.55580 0.56027 0.56158 0.56916 0.57325 0.57742 0.57897 0.58509 0.59620 0.60085 0.60404 0.60928 0.61593 0.61898 0.62579 0.62763 0.63219 0.63528 0.64205 0.64412 0.64629 0.65101 0.65790 0.66768 0.67014 0.67261 0.67382 0.68034 0.68635 0.68912 0.69195 0.69312 0.69961 0.70405 0.70963 0.71374 0.72082 0.72252 0.72590 0.73130 0.73759 0.74562 0.75072 0.75469 0.75781 0.76387 0.76792 0.77852 0.78670 0.79255 0.80064 0.80900 0.81857 0.82653 0.83864 0.84347 0.84537 0.85032 0.85660 0.86545 0.86694 0.87601 0.87890 0.88460 0.88972 0.89532 0.89784 0.90005 0.91222 0.91433 0.91633 0.92630 0.93534 0.94098 0.94616 0.95159 0.95545 0.96215 0.96395 0.97613 0.98357 0.98771 0.99117 1.00320 1.00630 1.01552 1.02074 1.03323 1.03425 1.04539 1.05109 1.05891 1.06740 1.07663 1.08322 1.09726 1.10590 1.11385 1.12182 1.12544 1.13598 1.14347 1.16001 1.16469 1.17995 1.18601 1.18917 1.20242 1.21656 1.22353 1.23493 1.23965 1.26075 1.26570 1.27935 1.28373 1.28586 1.29862 1.30949 1.31757 1.33011 1.34429 1.34861 1.35538 1.36945 1.37681 1.39037 1.39627 1.40387 1.41713 1.41772 1.42275 1.43289 1.44688 1.45419 1.45993 1.46578 1.47345 1.47784 1.49885 1.50500 1.51432 1.52384 1.52791 1.54478 1.54837 1.55702 1.55758 1.56185 1.56663 1.57182 1.57654 1.58020 1.58574 1.58980 1.59809 1.60564 1.61227 1.61936 1.62400 1.63027 1.64350 1.65084 1.65768 1.66045 1.68572 1.69130 1.69827 1.70849 1.71016 1.71646 1.72163 1.72523 1.73563 1.74454 1.74645 1.75229 1.76894 1.77279 1.77853 1.78224 1.79086 1.80473 1.82301 1.83032 1.83576 1.84262 1.84708 1.85838 1.86712 1.87304 1.87746 1.89142 1.89600 1.90037 1.90872 1.90980 1.91595 1.92313 1.93402 1.94993 1.95482 1.96188 1.97863 1.98711 1.99556 2.00476 2.02528 2.02755 2.03877 2.05123 2.05793 2.06636 2.07540 2.08727 2.10458 2.10992 2.12606 2.12951 2.14351 2.15223 2.16060 2.16596 2.17218 2.18415 2.19051 2.20599 2.21299 2.22253 2.23863 2.24491 2.25955 2.26473 2.26955 2.29629 2.30035 2.32750 2.33478 2.34693 2.38823 2.39399 2.40311 2.41106 2.42637 2.44747 2.45834 2.46909 2.47112 2.47718 2.48250 2.48731 2.50584 2.51027 2.52625 2.53149 2.53798 2.54386 2.54927 2.55225 2.55416 2.56729 2.57060 2.58927 2.59127 2.59890 2.60492 2.61593 2.61931 2.63297 2.63848 2.65558 2.65978 2.66504 2.68164 2.69380 2.70246 2.70695 2.71800 2.73218 2.74314 2.74600 2.75401 2.76312 2.76650 2.76976 2.78789 2.79273 2.80484 2.81353 2.82274 2.82588 2.83563 2.84321 2.85439 2.86333 2.87312 2.88754 2.89288 2.90245 2.91550 2.92006 2.93076 2.93774 2.94633 2.95737 2.96980 2.99453 3.00202 3.00831 3.02659 3.03395 3.04859 3.05177 3.05682 3.06755 3.07279 3.08631 3.10470 3.10943 3.13862 3.16036 3.16459 3.17451 3.20088 3.21441 3.23262 3.24982 3.25979 3.30340 3.33396 3.35659 3.37516 3.38984 3.40396 3.43047 3.44015 3.44198 3.48243 3.51261 3.55237 3.56771 3.58465 3.61129 3.63264 3.65297 3.69995 3.78150 3.78954 3.80141 3.81780 3.82582 3.83062 3.83859 3.84254 3.85763 3.90221 3.90892 3.93694 3.98138 3.98616 3.99429 4.00333 4.03864 4.06247 4.07381 4.09779 4.14224 4.19704 4.21778 4.26715 4.28860 4.35596 4.46261 4.48455 4.51294 4.75408 4.82203 4.84797 4.95424 5.07000 5.10540 5.13723 5.23751 5.26311 5.42892 5.51913 5.71923 5.77862 5.88231 9.79644 23.54331 23.70979 23.84852 23.86937 23.88405 23.88979 23.90715 23.91383 23.93499 23.95089 23.96604 23.97586 24.01123 24.03182 24.07669 24.09513 24.14878 24.16299 25.84962 26.19331 26.66995 35.58919 35.60302 35.69023 49.91715 49.95144 50.04459 215.79181 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.454519 0.232504 -0.113997 -0.278652 -0.294696 -0.372417 0.047824 0.385019 0.442779 -0.377228 -0.655422 0.268036 -0.801878 0.304595 -0.568063 -0.623229 -0.282141 -0.083041 0.090196 0.143011 -0.167100 -0.490864 -0.111007 -0.300429 -0.167183 0.183402 0.213995 0.176315 0.133654 0.144929 0.271154 0.178927 0.166572 0.168625 0.177797 0.177735 0.129405 0.122405 0.132013 0.165318 0.136025 0.156323 0.175602 0.158545 0.150123 -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 O O O N N N C C C C C C C C C C C C C C C C C C 0.454519 0.232504 -0.113997 -0.278652 -0.023541 -0.372417 0.047824 0.385019 0.442779 -0.193826 -0.265112 0.268036 -0.668225 0.304595 -0.423134 -0.109105 -0.282141 0.272492 0.090196 0.272416 -0.044695 -0.358850 -0.111007 0.157237 0.317086 0.00000 3.55736940e-01 6.92994858e-01 -6.36687646e-02 3.43426789e+02 -1.10955023e+01 2.51883466e+02 -2.05382625e+01 -1.09943421e+00 1.93203877e+02 -1.4963 -0.0014 -0.0002 0.0005 0.8444 1.2630 17.1439 25.5685 32.2780 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.1402 25.5667 32.2733 37.4642 39.7062 53.3695 64.4253 64.6496 73.3265 87.1718 119.0594 131.2517 152.6205 155.7593 173.9435 179.6861 192.9276 204.8339 219.9370 236.0698 250.7453 278.9914 305.0053 310.9771 342.4511 362.9018 383.7605 417.6134 435.0378 442.3560 468.3585 482.8388 503.8060 518.5466 522.2708 550.9521 553.6001 562.2393 593.9747 628.8550 642.6620 695.9592 708.7613 724.9062 742.8643 746.5642 772.5032 784.8424 788.9382 830.2737 873.7822 883.2855 907.7942 913.7007 936.2412 944.7939 963.3984 1004.2299 1007.2861 1015.1263 1019.0022 1028.2416 1037.1922 1051.9557 1055.1305 1058.6588 1059.5445 1088.8513 1124.5895 1128.2035 1157.9889 1179.0477 1187.0778 1189.7748 1210.5846 1216.0279 1243.4472 1249.0188 1283.1274 1285.5493 1295.0355 1300.5911 1316.0748 1317.9249 1337.7992 1370.7844 1389.5249 1403.4205 1412.4239 1443.5663 1454.5069 1460.6912 1467.9208 1471.0458 1476.6234 1482.6613 1483.1747 1485.4148 1495.4919 1499.4350 1501.8667 1503.6840 1546.0103 1603.4721 1617.5163 1628.9230 1632.7149 1675.3327 1784.4208 3030.2952 3033.5101 3046.0313 3050.9406 3059.1140 3084.7323 3086.5027 3095.0158 3096.9888 3110.0884 3131.0307 3157.8768 3158.9867 3169.3515 3186.3303 3187.3966 3202.9696 3217.7361 3221.8765 3623.4456 5.8526 4.0565 4.9927 3.9898 3.7727 6.3189 1.5469 1.9137 5.4283 4.6116 1.7711 1.4188 2.1265 2.3398 5.0810 5.4564 5.6623 3.1619 3.9725 3.5874 2.7329 7.3014 3.8721 4.7740 3.7402 6.2413 3.2249 4.3234 3.4922 3.0910 5.2427 4.6036 3.6005 3.3435 1.5616 4.8260 3.4245 3.6417 3.3006 5.6053 5.6971 3.7780 5.6753 3.8135 3.9129 4.4579 4.0023 1.2368 10.2255 1.3717 4.5791 2.4061 1.3967 3.3261 1.8503 3.2389 1.3592 2.8113 1.4775 4.9328 2.0574 2.1492 2.3149 6.1687 1.6434 1.6878 2.5962 4.8931 1.6381 2.0103 3.7110 1.2732 1.9945 1.2897 1.7109 1.7798 2.2295 1.8543 2.0764 1.6865 2.0935 2.1947 7.0273 1.2509 2.5778 1.4527 1.5062 1.3157 1.2616 2.4934 2.2901 1.1225 1.1575 1.1430 1.0447 1.2460 1.0999 1.4771 1.0478 1.1543 1.2086 2.4971 1.8155 6.2837 6.6363 5.2087 5.4821 8.6854 9.7988 1.0358 1.0414 1.0584 1.0313 1.0599 1.0988 1.1003 1.1061 1.1043 1.1026 1.1041 1.0972 1.1072 1.0880 1.0949 1.0879 1.0947 1.0932 1.0889 1.0769 0.0010 0.0016 0.0031 0.0033 0.0035 0.0106 0.0038 0.0047 0.0172 0.0206 0.0148 0.0144 0.0292 0.0334 0.0906 0.1038 0.1242 0.0782 0.1132 0.1178 0.1012 0.3348 0.2122 0.2720 0.2584 0.4843 0.2798 0.4442 0.3894 0.3564 0.6776 0.6323 0.5384 0.5297 0.2510 0.8631 0.6184 0.6783 0.6861 1.3060 1.3863 1.0781 1.6797 1.1807 1.2722 1.4639 1.4072 0.4489 3.7499 0.5571 2.0598 1.1060 0.6782 1.6360 0.9556 1.7034 0.7433 1.6704 0.8833 2.9949 1.2587 1.3388 1.4673 4.0219 1.0780 1.1145 1.7172 3.4180 1.2206 1.5076 2.9319 1.0429 1.6559 1.0757 1.4773 1.5506 2.0310 1.7044 2.0142 1.6422 2.0686 2.1873 7.1714 1.2801 2.7182 1.6082 1.7134 1.5268 1.4829 3.0614 2.8546 1.4111 1.4695 1.4572 1.3420 1.6138 1.4256 1.9202 1.3806 1.5291 1.6062 3.3266 2.5567 9.5189 10.2300 8.1430 8.6102 14.3629 18.3831 5.6037 5.6461 5.7861 5.6560 5.8440 6.1605 6.1756 6.2427 6.2405 6.2839 6.3775 6.4468 6.5098 6.4389 6.5496 6.5121 6.6170 6.6691 6.6597 8.3304 0.2630 1.5530 0.2948 0.4197 1.3461 4.1895 1.6403 0.2108 0.2810 0.8230 4.6953 1.1867 1.8779 0.7923 0.4944 1.3330 1.3880 3.8753 2.6911 3.5336 3.4199 3.4772 0.9904 1.5428 19.8042 6.9651 2.7141 3.1958 0.0038 6.7102 22.8986 18.5346 4.9106 17.7098 100.9978 1.4831 2.2874 27.0181 2.4032 8.8531 2.8404 9.3098 9.2606 4.4677 1.4316 3.7032 7.3962 42.5759 18.3064 26.2939 34.6958 6.2709 0.1093 2.2352 36.1449 85.2020 0.8217 5.6364 0.6830 37.3277 8.9941 52.5458 46.1050 70.6607 1.1329 23.5185 7.3135 157.9171 6.2962 34.3271 47.3229 2.6475 0.7904 4.0795 3.3523 52.1763 298.1968 3.8798 10.3251 39.5301 8.7696 1.9147 0.1342 87.9318 24.0892 47.4605 11.2294 7.3116 6.1538 31.3306 4.5020 8.7608 10.0844 5.2578 3.6672 10.5927 19.8620 60.7561 11.7318 9.7561 55.4192 48.7375 257.1498 0.9940 70.0078 33.5631 4.7295 11.6339 267.4377 19.5121 12.5338 30.2183 28.0692 11.2199 8.5641 12.3663 6.7464 2.3485 15.2487 14.1760 4.8028 10.4619 4.3932 12.8053 3.2121 5.3647 3.1508 0.7622 32.4192 0.05 -0.02 0.17 0.01 -0.03 -0.07 -0.01 0.07 -0.15 0.04 0.01 -0.12 -0.02 0.01 -0.08 0.01 -0.02 -0.04 0.01 -0.03 0.09 0.01 0.00 -0.01 0.01 0.00 -0.04 -0.01 0.01 -0.07 -0.00 0.01 -0.04 0.03 -0.01 0.09 0.03 -0.00 0.05 0.00 0.00 -0.09 0.04 -0.01 0.11 -0.01 0.03 -0.18 -0.02 -0.03 0.03 0.02 -0.06 -0.01 -0.02 -0.01 0.13 -0.08 -0.02 0.01 -0.09 -0.00 0.11 -0.12 -0.00 0.05 0.01 0.03 -0.12 0.01 -0.01 0.20 0.01 0.08 -0.19 -0.02 0.01 -0.14 0.03 -0.01 -0.04 -0.02 0.02 -0.02 0.04 -0.01 0.07 0.06 -0.02 0.18 -0.05 0.04 -0.09 -0.03 0.07 -0.31 -0.10 -0.04 -0.15 0.10 0.08 -0.14 0.03 -0.09 -0.00 0.03 -0.08 -0.02 -0.10 -0.02 -0.03 -0.12 0.01 0.15 -0.17 0.01 0.04 0.03 -0.01 0.23 -0.02 0.01 0.23 0.06 -0.02 0.19 -0.01 0.06 -0.15 0.05 0.05 -0.23 -0.01 0.14 -0.21 -0.03 0.04 -0.01 -0.00 -0.00 0.03 -0.02 -0.06 -0.06 0.14 0.05 0.02 -0.01 -0.01 0.10 -0.01 0.01 -0.00 0.05 0.05 0.02 -0.00 0.01 0.07 -0.02 0.01 -0.02 0.00 0.00 0.08 0.02 -0.00 0.17 -0.02 0.02 -0.02 -0.04 0.03 -0.11 -0.01 0.01 -0.00 -0.04 0.04 -0.11 -0.00 0.00 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.02 0.05 0.03 0.00 -0.09 -0.12 -0.02 -0.03 -0.07 -0.02 -0.09 -0.15 -0.03 0.04 -0.00 0.02 0.13 0.13 0.02 0.03 -0.06 -0.16 0.02 -0.01 0.15 0.11 0.06 0.22 -0.02 -0.07 0.26 -0.05 0.05 -0.19 -0.05 0.05 -0.19 -0.09 -0.07 0.08 0.01 -0.02 0.09 0.06 0.03 -0.03 -0.08 0.00 -0.02 0.00 0.02 0.01 0.00 0.00 0.04 -0.14 -0.19 -0.02 -0.03 -0.08 -0.04 -0.15 -0.23 -0.06 0.12 0.20 0.13 0.11 0.10 -0.00 0.21 0.18 -0.05 0.11 -0.04 -0.21 0.06 -0.03 -0.12 -0.03 -0.12 -0.22 -0.06 0.01 -0.01 0.00 -0.10 0.04 -0.05 0.13 0.02 -0.08 0.10 0.01 -0.06 -0.03 -0.01 -0.00 -0.08 0.05 0.09 -0.01 0.00 -0.06 -0.02 -0.02 -0.03 -0.03 -0.01 -0.05 -0.03 -0.03 -0.07 -0.02 -0.04 -0.05 -0.01 -0.00 -0.02 -0.02 0.02 -0.01 -0.05 -0.01 -0.03 -0.01 0.02 -0.02 -0.03 -0.08 0.05 -0.07 0.01 -0.01 -0.10 0.02 0.15 0.02 -0.01 0.06 -0.10 0.01 0.16 -0.01 -0.01 0.12 -0.07 0.01 -0.06 0.07 0.00 0.20 0.10 -0.02 -0.05 0.26 0.04 -0.06 -0.03 -0.05 -0.10 -0.03 -0.04 -0.06 -0.01 -0.06 -0.00 -0.02 0.04 -0.02 -0.00 0.03 -0.05 -0.03 -0.01 -0.03 -0.01 -0.15 -0.06 -0.08 -0.07 0.03 0.02 -0.06 -0.04 -0.12 0.04 -0.03 -0.10 -0.03 0.03 -0.15 0.02 0.21 0.02 -0.01 0.13 -0.09 0.01 0.15 0.16 -0.02 0.25 0.12 -0.03 0.23 0.08 -0.02 -0.13 0.30 -0.01 0.01 0.30 0.09 -0.04 0.27 0.05 0.02 0.01 0.03 0.00 0.01 -0.07 -0.02 -0.09 0.05 -0.12 -0.06 0.00 -0.01 0.01 -0.06 -0.00 0.01 -0.08 0.06 0.07 0.00 -0.00 0.02 -0.05 0.02 0.00 0.00 0.00 0.01 -0.06 -0.03 0.02 -0.11 0.02 0.01 0.02 0.04 -0.00 0.07 0.03 -0.00 0.00 0.04 0.00 0.08 0.07 -0.04 0.10 -0.01 0.01 -0.04 0.00 -0.00 -0.06 0.05 0.08 0.02 -0.08 -0.05 -0.07 -0.03 0.03 -0.01 -0.09 -0.04 -0.05 -0.06 -0.04 -0.00 0.15 0.18 0.07 -0.06 -0.15 0.12 -0.01 0.01 -0.11 -0.10 -0.02 -0.14 -0.01 0.07 -0.17 0.06 -0.01 0.12 0.05 0.00 0.14 0.04 0.00 -0.05 0.08 -0.06 0.12 0.07 0.03 0.15 0.08 -0.10 0.11 0.00 -0.01 -0.05 0.01 -0.01 -0.06 -0.13 -0.10 -0.10 -0.03 0.04 0.00 -0.16 -0.08 -0.07 0.17 0.24 0.21 0.10 0.13 0.06 0.27 0.23 -0.02 -0.01 -0.12 0.07 -0.16 -0.12 0.17 -0.02 -0.25 0.15 -0.03 0.02 -0.04 -0.01 -0.04 -0.11 -0.01 0.07 -0.04 0.04 0.01 -0.01 -0.02 -0.03 0.02 -0.02 -0.03 -0.10 -0.01 -0.04 -0.01 -0.01 -0.02 0.03 0.02 -0.04 0.04 0.01 -0.04 0.06 -0.01 -0.03 0.05 -0.01 -0.00 -0.01 0.02 -0.01 0.01 0.04 -0.06 0.06 0.01 0.00 -0.02 0.12 -0.11 0.25 -0.01 -0.01 -0.05 -0.02 -0.07 -0.10 -0.01 0.01 0.04 -0.01 0.06 -0.05 -0.02 0.08 0.05 -0.02 0.11 0.00 0.00 0.02 -0.01 -0.01 -0.03 0.09 0.01 0.13 -0.08 0.01 -0.05 0.08 0.02 -0.01 0.06 -0.03 -0.04 0.08 0.04 -0.01 -0.01 0.00 0.02 -0.05 -0.05 -0.01 0.02 0.17 -0.21 0.42 0.26 0.04 0.24 0.00 -0.22 0.20 -0.04 -0.11 -0.06 -0.02 -0.09 -0.15 -0.01 0.08 -0.08 -0.02 0.12 0.09 -0.02 0.16 0.00 -0.03 -0.05 0.02 0.01 0.04 0.14 -0.02 -0.10 0.15 -0.03 0.12 -0.06 0.08 0.12 -0.10 -0.01 0.20 -0.10 0.05 -0.05 0.03 0.01 0.02 0.01 0.03 -0.11 0.05 0.03 0.47 0.03 0.03 -0.04 -0.00 -0.00 0.03 -0.05 -0.03 -0.02 -0.01 0.02 -0.01 -0.08 0.00 -0.01 -0.04 0.00 0.00 -0.10 0.01 -0.01 -0.07 0.03 -0.03 -0.01 0.01 -0.02 0.02 0.00 -0.00 -0.00 0.02 -0.03 0.03 0.02 -0.04 0.11 -0.03 -0.02 -0.00 0.01 0.03 0.02 -0.06 -0.05 -0.02 -0.06 -0.06 -0.01 -0.09 -0.09 -0.03 -0.09 -0.09 -0.03 0.03 0.13 0.02 -0.07 -0.06 -0.03 0.02 0.08 0.07 -0.01 0.02 -0.14 -0.05 0.01 -0.07 0.05 -0.00 -0.11 0.01 -0.03 0.06 0.03 -0.05 0.07 0.02 -0.28 -0.04 0.02 -0.04 0.13 0.01 0.02 0.17 0.03 -0.12 0.12 0.03 0.07 -0.01 0.03 0.04 0.07 -0.06 -0.06 -0.01 -0.11 -0.12 -0.04 -0.12 -0.13 -0.04 -0.05 -0.07 0.01 -0.10 -0.10 -0.05 -0.07 -0.02 -0.06 0.01 0.25 -0.18 0.02 0.26 0.31 0.03 -0.13 0.08 0.01 -0.01 0.00 0.00 0.00 -0.01 0.03 0.10 0.03 -0.00 -0.06 0.02 0.02 0.01 0.01 -0.00 0.01 -0.01 -0.02 -0.02 -0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.02 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 -0.02 -0.02 -0.01 -0.00 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03 -0.03 -0.02 -0.04 -0.05 -0.02 -0.04 -0.04 -0.02 0.02 0.01 0.02 -0.01 -0.01 -0.01 0.02 0.08 0.05 0.01 0.01 0.01 0.02 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.00 -0.02 0.04 0.07 0.02 0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.02 -0.02 -0.06 -0.06 -0.03 -0.05 -0.05 -0.03 0.23 0.01 0.48 -0.34 -0.35 -0.13 0.15 0.39 -0.35 -0.05 0.01 0.17 0.07 0.00 -0.07 0.04 0.23 0.06 -0.02 0.01 -0.00 0.00 0.00 0.01 -0.05 -0.10 -0.04 -0.00 0.06 -0.02 -0.04 -0.04 -0.00 0.02 -0.02 0.02 0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.02 0.01 -0.00 -0.02 0.00 -0.03 -0.02 0.01 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.00 0.01 -0.00 -0.02 -0.01 0.04 0.04 0.02 0.02 0.02 0.01 0.01 0.01 0.01 0.07 0.09 0.03 0.03 0.04 0.02 0.07 0.08 0.03 -0.03 -0.02 -0.02 0.00 0.00 0.01 -0.03 -0.05 -0.07 -0.01 -0.03 -0.00 -0.03 -0.01 0.01 -0.04 -0.01 0.02 0.02 -0.01 0.01 0.01 0.01 0.01 -0.07 -0.10 -0.02 -0.01 -0.01 -0.02 -0.00 -0.03 -0.03 -0.01 -0.01 -0.02 0.03 0.01 0.02 -0.00 0.04 0.00 0.10 0.12 0.04 0.02 0.03 0.02 0.09 0.11 0.04 0.24 -0.00 0.47 -0.32 -0.33 -0.11 0.12 0.38 -0.31 0.02 0.04 -0.20 -0.06 0.04 0.07 -0.05 -0.20 -0.08 0.04 -0.00 0.18 0.03 0.05 0.08 -0.06 0.01 0.00 -0.07 -0.11 -0.00 -0.07 -0.08 -0.01 0.04 0.02 -0.07 0.04 0.07 0.03 -0.01 -0.02 -0.06 0.01 -0.03 -0.15 -0.00 -0.03 -0.11 -0.05 -0.03 -0.00 -0.00 -0.00 -0.05 -0.00 0.00 -0.22 0.02 -0.03 -0.05 -0.01 0.02 -0.17 0.02 -0.09 0.12 0.06 0.08 0.05 0.09 0.14 0.09 0.01 0.01 -0.01 0.05 0.03 0.05 -0.00 -0.03 -0.01 0.02 -0.02 0.01 -0.07 -0.06 -0.00 -0.03 -0.01 -0.04 -0.06 0.10 0.01 -0.00 -0.05 -0.09 -0.04 0.00 0.02 -0.07 -0.04 0.03 -0.00 0.01 -0.29 -0.00 0.04 -0.19 -0.05 -0.03 0.00 0.05 -0.14 0.35 0.17 0.04 0.08 -0.15 -0.20 0.06 0.17 0.19 0.02 0.07 0.19 0.19 0.06 0.05 0.06 -0.03 -0.08 -0.04 0.01 -0.06 0.01 -0.08 -0.03 -0.17 0.05 0.05 -0.03 -0.10 -0.08 0.04 -0.11 0.12 -0.01 -0.00 0.12 0.03 -0.05 0.13 0.01 -0.02 0.04 -0.09 0.03 0.07 -0.03 -0.05 -0.04 0.01 -0.03 -0.06 0.03 -0.06 -0.12 0.04 0.08 -0.01 0.02 0.04 0.10 0.00 0.03 -0.05 0.05 0.08 -0.07 0.06 0.06 -0.07 0.06 -0.03 -0.06 0.05 0.04 -0.02 0.04 0.10 -0.05 0.10 0.06 -0.04 -0.00 0.08 -0.02 0.09 -0.00 -0.00 -0.12 0.03 0.09 -0.01 0.08 0.14 0.01 -0.04 0.02 -0.02 -0.04 0.03 -0.03 -0.13 -0.06 -0.05 -0.12 -0.05 -0.05 -0.04 -0.07 0.03 -0.05 0.01 -0.01 -0.04 0.18 -0.01 0.05 -0.09 0.05 -0.05 -0.05 0.05 -0.05 -0.02 0.05 0.12 -0.05 0.13 0.09 -0.00 0.09 -0.06 -0.10 0.04 -0.04 0.06 -0.22 -0.08 -0.10 -0.13 0.06 0.06 -0.10 0.17 0.18 -0.05 0.07 0.19 0.10 -0.03 0.04 -0.03 -0.20 -0.13 -0.06 -0.19 -0.11 -0.08 -0.10 -0.00 -0.13 0.03 0.09 0.02 -0.08 -0.09 0.07 -0.12 0.27 -0.13 0.07 0.27 0.11 -0.05 0.16 -0.02 0.03 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.10 -0.00 -0.01 -0.09 -0.02 0.02 0.04 -0.02 -0.02 0.02 0.02 -0.02 -0.03 -0.01 0.02 0.02 0.01 -0.01 0.03 0.02 0.01 0.03 0.04 0.02 0.02 -0.01 0.01 0.01 -0.00 -0.02 0.03 -0.02 -0.01 0.03 0.02 -0.01 0.01 -0.03 -0.00 0.04 0.00 -0.03 -0.03 -0.01 -0.03 -0.04 -0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.01 -0.05 -0.02 -0.00 -0.01 0.00 0.01 0.12 0.02 0.02 0.03 0.06 0.03 0.00 -0.02 0.02 0.04 -0.02 -0.04 0.03 -0.05 -0.02 0.00 -0.05 0.03 0.07 -0.02 0.02 0.01 0.07 0.06 0.05 -0.05 -0.07 0.06 -0.02 -0.07 -0.05 0.01 -0.02 -0.07 -0.05 -0.03 -0.03 -0.01 0.03 0.03 0.01 0.01 0.01 0.01 0.00 -0.00 0.02 -0.01 -0.02 -0.00 0.00 0.01 -0.01 0.08 0.42 -0.42 -0.07 0.43 0.46 0.01 -0.32 0.03 -0.01 0.01 -0.01 0.00 0.00 0.02 0.00 -0.02 0.00 0.03 -0.05 0.02 0.01 -0.01 0.04 -0.02 0.02 -0.05 -0.00 -0.01 0.00 -0.01 0.01 -0.03 -0.02 0.01 -0.05 -0.02 0.02 -0.08 0.01 0.00 0.03 -0.01 0.01 -0.01 -0.00 0.00 0.02 -0.02 0.02 -0.04 0.00 0.00 0.03 -0.01 -0.02 0.05 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.01 0.01 0.00 0.01 0.01 -0.03 0.03 -0.00 -0.01 -0.00 0.02 0.02 -0.02 -0.03 0.02 -0.10 0.03 0.05 0.06 0.00 -0.04 0.06 0.01 -0.00 0.07 0.01 -0.00 0.07 0.00 -0.01 0.04 -0.10 0.14 -0.40 -0.44 -0.09 0.44 0.49 -0.15 0.26 -0.00 0.01 0.01 0.01 -0.00 0.02 0.00 -0.01 0.01 0.03 0.01 0.01 0.02 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.00 -0.01 0.03 0.07 -0.09 0.04 0.07 0.03 -0.00 -0.02 -0.04 -0.06 0.02 0.00 -0.01 -0.02 -0.02 0.04 0.16 0.00 0.04 -0.02 0.00 0.03 0.05 0.01 -0.00 -0.04 -0.04 0.05 0.05 0.02 -0.04 -0.02 -0.00 -0.02 -0.02 -0.02 -0.04 -0.02 -0.03 0.01 -0.01 0.01 -0.03 -0.01 0.02 -0.00 -0.02 0.02 -0.00 -0.04 -0.03 -0.01 -0.01 0.04 0.01 -0.05 -0.01 0.04 0.04 0.01 0.03 0.03 0.01 0.01 0.00 0.00 0.02 0.01 0.01 -0.02 -0.03 -0.01 -0.01 -0.02 -0.01 0.04 0.06 0.00 -0.03 -0.04 -0.01 0.03 -0.07 0.02 -0.05 -0.02 -0.06 0.04 -0.01 0.02 0.02 -0.05 0.02 0.01 -0.02 0.04 0.00 -0.00 0.06 0.03 0.09 0.01 0.03 -0.08 0.07 0.08 -0.02 -0.06 -0.07 -0.05 -0.05 0.08 0.02 -0.00 0.00 0.06 0.03 0.01 0.01 0.00 -0.06 -0.07 -0.02 -0.04 -0.05 -0.02 -0.00 -0.07 -0.02 -0.05 -0.06 -0.02 -0.07 -0.01 -0.01 0.34 0.11 -0.29 -0.31 0.13 0.34 0.03 -0.61 0.03 0.03 -0.03 0.02 0.02 -0.00 0.01 -0.01 0.07 -0.01 -0.06 0.05 -0.04 -0.02 0.01 -0.05 0.02 -0.01 0.05 0.03 0.01 -0.02 0.02 -0.02 0.08 0.02 -0.02 0.06 0.05 -0.03 0.16 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.09 0.02 -0.01 0.04 -0.02 0.00 -0.11 -0.01 -0.00 0.01 0.03 0.02 -0.03 0.01 0.00 -0.03 0.00 -0.00 -0.00 0.01 0.03 -0.04 -0.04 -0.01 -0.01 -0.03 0.01 -0.03 -0.03 0.05 -0.04 0.01 -0.02 0.04 -0.04 -0.04 0.04 0.07 -0.04 0.25 -0.02 -0.08 -0.05 -0.02 0.06 -0.04 -0.04 0.01 -0.18 -0.04 0.02 -0.21 -0.03 0.06 -0.04 -0.09 0.15 -0.40 -0.37 -0.13 0.28 0.39 -0.04 0.17 -0.03 -0.01 -0.02 -0.01 0.00 -0.07 0.02 0.04 -0.05 -0.07 -0.03 -0.01 -0.05 0.01 -0.04 0.02 -0.03 0.03 -0.00 0.00 0.06 0.02 -0.04 0.05 0.04 -0.01 -0.01 -0.19 -0.01 0.10 -0.01 -0.19 0.08 0.13 -0.09 -0.07 0.03 0.06 -0.01 -0.12 0.20 -0.01 -0.05 0.01 0.04 -0.12 -0.13 0.07 0.02 0.08 -0.05 -0.11 -0.07 0.00 0.06 0.01 0.01 0.04 0.01 -0.03 0.06 0.01 -0.03 -0.06 -0.00 0.08 0.07 0.01 0.01 0.05 -0.00 0.01 0.02 0.05 -0.03 0.05 -0.00 0.03 0.01 0.04 0.00 -0.10 -0.07 0.02 0.00 0.00 0.03 -0.02 0.00 0.00 -0.07 -0.08 0.03 0.09 0.07 0.04 0.04 0.00 0.04 -0.09 0.03 0.04 -0.01 0.04 -0.04 -0.10 -0.07 -0.07 0.06 0.02 -0.05 -0.07 0.06 0.11 -0.10 0.02 0.13 0.05 -0.00 0.02 0.05 -0.01 0.05 -0.13 -0.10 0.07 0.02 0.02 0.08 0.07 0.08 -0.04 -0.06 0.03 -0.03 0.03 0.07 -0.02 0.08 -0.03 0.12 -0.10 -0.13 0.04 0.19 0.17 0.05 0.09 0.03 0.06 -0.02 0.07 -0.02 0.01 0.01 -0.08 -0.01 0.08 -0.07 0.21 0.01 -0.23 -0.35 0.02 0.08 -0.14 -0.44 -0.11 -0.08 0.16 0.05 -0.02 0.03 -0.03 0.08 -0.00 -0.01 0.01 0.03 -0.07 0.05 -0.03 -0.08 0.03 -0.03 -0.03 -0.19 -0.07 0.01 0.03 -0.07 0.04 0.07 -0.08 0.01 0.06 -0.09 0.07 0.03 -0.07 -0.05 0.04 -0.02 0.01 0.08 -0.04 -0.05 0.03 -0.06 -0.02 0.07 -0.01 -0.04 -0.01 -0.06 -0.03 -0.17 -0.08 0.05 0.00 0.04 0.07 -0.06 0.03 -0.01 -0.13 -0.10 0.06 0.10 0.11 0.04 0.02 0.01 0.06 0.05 -0.00 -0.07 -0.05 0.11 -0.10 0.04 -0.01 0.08 0.06 -0.11 0.11 0.03 -0.13 -0.09 0.03 -0.02 -0.08 0.09 -0.03 -0.11 0.07 0.02 -0.08 0.04 -0.02 -0.08 -0.04 -0.00 -0.15 -0.11 -0.11 0.03 0.10 -0.07 0.01 0.13 0.15 -0.05 0.09 0.04 0.28 -0.17 -0.16 0.09 0.25 0.24 0.06 0.11 0.03 0.09 -0.09 0.18 -0.08 0.01 0.07 -0.18 -0.06 0.17 -0.14 0.01 -0.00 0.07 -0.02 -0.00 0.10 0.09 -0.03 0.13 -0.02 0.06 0.05 0.05 0.03 0.19 0.01 0.07 0.01 0.05 -0.03 0.04 0.01 -0.09 0.04 0.08 -0.00 0.24 -0.07 -0.13 -0.12 -0.02 -0.01 -0.15 0.03 -0.03 -0.00 -0.01 -0.02 -0.15 -0.01 -0.04 -0.03 -0.00 -0.00 -0.10 0.04 -0.03 0.02 0.02 -0.01 0.12 0.02 -0.01 -0.06 -0.08 0.02 0.02 -0.03 -0.07 -0.15 -0.02 0.04 -0.04 -0.05 -0.04 -0.03 -0.02 0.04 -0.14 -0.06 0.06 -0.03 -0.06 0.08 -0.08 0.02 -0.01 0.04 0.08 0.02 0.14 0.03 -0.02 -0.04 -0.02 -0.02 -0.19 -0.03 0.06 0.02 0.00 -0.10 -0.01 0.07 -0.05 0.12 0.03 -0.00 -0.02 0.03 -0.14 0.04 -0.10 0.06 0.06 -0.06 -0.06 -0.07 -0.15 0.08 -0.01 -0.14 0.16 -0.09 -0.02 0.04 -0.02 0.03 0.11 -0.17 -0.04 0.12 0.02 -0.06 0.16 -0.08 0.05 0.07 0.17 0.08 0.14 0.25 0.24 -0.11 0.16 0.17 0.03 -0.13 -0.06 0.04 0.05 -0.00 -0.20 -0.07 0.01 -0.00 -0.01 -0.01 -0.01 -0.04 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.04 -0.13 -0.10 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 0.01 0.02 -0.01 -0.00 -0.02 0.00 0.04 -0.00 -0.02 0.01 -0.10 -0.09 -0.03 0.14 0.15 0.10 -0.12 -0.16 -0.04 0.03 -0.00 0.03 0.00 0.01 -0.01 0.11 0.17 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.02 0.00 0.02 0.00 -0.00 0.03 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.03 0.00 0.03 -0.02 -0.01 0.02 0.01 0.02 0.04 -0.03 0.01 0.03 -0.05 0.02 0.00 -0.03 0.01 0.30 0.33 0.17 -0.18 -0.24 -0.08 0.08 0.03 0.05 -0.09 0.40 -0.02 0.31 0.32 0.01 0.29 0.03 0.01 0.02 0.03 -0.03 -0.05 0.03 0.06 0.00 -0.07 0.02 -0.05 -0.04 -0.04 0.04 0.06 0.09 0.01 -0.04 -0.02 -0.02 0.02 -0.06 -0.00 0.08 -0.04 -0.00 0.07 -0.12 -0.01 -0.12 -0.07 -0.01 -0.01 0.12 -0.03 0.02 -0.07 -0.02 0.00 0.06 0.02 0.00 0.07 -0.01 -0.03 0.13 -0.04 -0.00 -0.03 -0.03 0.03 -0.10 -0.01 -0.03 0.10 -0.05 -0.01 0.01 0.02 -0.06 -0.08 0.10 0.14 0.04 0.01 -0.06 -0.02 0.02 -0.03 -0.08 0.04 0.03 -0.00 0.02 0.02 -0.04 -0.00 0.02 -0.06 0.09 -0.06 0.13 -0.03 0.01 0.07 -0.02 0.00 0.06 0.12 -0.04 0.06 -0.02 0.00 0.12 -0.07 0.00 -0.09 -0.01 -0.02 0.11 -0.05 0.13 -0.04 -0.04 -0.01 0.15 0.02 0.06 -0.02 -0.16 -0.08 -0.03 0.21 0.36 -0.13 0.12 0.23 0.31 0.04 0.00 -0.10 0.08 0.10 0.04 0.04 0.08 -0.03 0.11 -0.06 0.16 0.05 0.02 0.22 0.21 -0.15 0.14 -0.11 0.01 0.09 -0.04 0.01 0.06 0.03 0.06 0.12 0.01 -0.08 0.01 -0.01 -0.03 -0.01 -0.04 -0.03 0.04 -0.01 -0.02 0.09 0.04 0.16 0.04 0.05 -0.12 0.02 -0.06 -0.04 -0.02 -0.07 0.04 -0.02 -0.00 -0.00 0.05 -0.05 0.01 0.03 -0.04 0.07 -0.09 -0.07 0.03 -0.03 -0.01 0.02 0.01 0.05 -0.09 0.01 -0.05 0.04 -0.03 0.14 -0.07 -0.06 -0.03 -0.02 -0.01 0.09 0.11 0.04 -0.03 0.00 -0.01 -0.04 -0.02 -0.02 0.02 0.05 0.01 -0.01 0.02 -0.00 -0.01 0.03 0.09 -0.01 0.03 -0.01 0.04 0.01 -0.12 -0.05 -0.02 0.05 -0.17 -0.01 -0.14 0.05 0.10 -0.23 0.01 0.02 0.01 -0.04 0.07 -0.05 0.11 0.15 0.06 0.15 -0.09 -0.18 0.09 -0.09 -0.02 0.25 -0.01 -0.02 0.31 0.26 -0.13 0.09 0.22 0.33 -0.04 -0.02 -0.02 0.07 0.11 0.03 -0.00 0.04 0.00 -0.02 0.06 0.00 0.01 0.04 -0.02 0.02 0.03 -0.02 0.10 0.02 -0.15 0.15 0.02 -0.12 -0.06 0.03 -0.22 0.03 -0.04 -0.01 -0.01 -0.05 0.02 0.02 -0.02 -0.05 0.02 0.01 -0.09 -0.04 0.04 -0.02 0.03 -0.09 0.07 -0.02 0.01 -0.00 -0.03 0.03 -0.04 -0.01 0.01 -0.00 -0.04 0.03 -0.08 0.04 0.01 0.18 -0.02 0.03 -0.05 0.01 0.02 0.04 0.03 -0.05 0.03 -0.01 0.03 -0.01 0.11 -0.03 -0.03 -0.02 0.01 -0.00 0.01 0.01 0.01 -0.02 0.02 -0.00 -0.03 0.00 -0.01 -0.01 0.03 0.00 -0.02 0.02 -0.00 0.00 0.00 -0.09 -0.03 0.03 -0.03 -0.07 0.01 0.13 -0.04 0.02 -0.11 0.36 0.20 0.31 -0.08 -0.21 0.46 0.04 0.01 0.12 -0.01 0.03 0.00 -0.15 0.07 -0.03 0.12 -0.07 -0.09 0.10 -0.03 -0.01 0.16 0.03 -0.01 0.05 0.03 -0.02 -0.00 0.04 0.05 -0.04 -0.01 -0.01 0.00 0.05 0.01 -0.02 0.02 -0.00 -0.04 0.04 -0.03 -0.02 0.01 -0.05 -0.05 0.05 -0.04 -0.20 -0.01 0.18 -0.14 -0.00 0.12 0.05 0.06 0.25 0.12 0.08 -0.08 -0.04 -0.19 0.30 -0.01 -0.01 0.01 -0.03 0.00 0.02 0.01 0.04 -0.01 -0.04 -0.17 0.04 0.00 0.06 -0.03 0.07 -0.01 0.14 -0.05 -0.01 -0.17 0.03 -0.02 -0.02 -0.00 0.01 -0.03 0.13 0.04 0.21 0.00 0.05 -0.14 -0.06 -0.10 -0.11 0.07 0.04 0.14 0.02 -0.14 -0.02 -0.01 0.02 -0.03 -0.12 -0.06 0.02 -0.03 0.05 -0.01 -0.03 0.06 -0.04 -0.07 0.05 -0.02 -0.06 0.06 -0.02 -0.01 0.01 0.02 -0.06 0.05 -0.03 0.01 -0.00 -0.04 0.03 0.00 -0.03 -0.12 -0.13 -0.12 0.03 0.16 -0.16 0.02 0.08 -0.29 0.07 0.01 0.17 0.04 0.07 0.00 0.04 -0.19 0.05 0.07 -0.04 0.03 0.00 -0.21 -0.02 -0.28 -0.08 0.08 -0.20 -0.04 -0.12 -0.03 0.07 -0.06 -0.10 0.02 -0.03 -0.07 0.07 -0.03 -0.06 0.04 -0.04 -0.05 0.03 -0.05 -0.09 0.07 -0.03 0.04 0.00 -0.04 0.04 -0.00 -0.04 -0.02 0.00 -0.07 -0.10 -0.04 0.01 0.05 -0.01 0.10 0.03 0.03 -0.01 0.05 -0.00 -0.02 -0.02 -0.19 -0.00 0.00 0.03 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.03 -0.03 0.09 -0.02 -0.02 0.05 0.03 -0.02 -0.04 -0.07 -0.02 -0.06 0.06 -0.06 0.03 -0.04 0.02 0.09 -0.03 -0.02 -0.04 0.03 0.29 0.12 -0.04 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.01 -0.02 0.02 0.00 -0.02 0.02 -0.00 0.02 -0.05 -0.01 -0.02 0.03 -0.03 0.01 -0.00 0.03 -0.01 0.05 0.04 -0.18 -0.10 -0.12 0.01 0.09 -0.18 -0.11 0.03 -0.08 -0.03 -0.06 0.03 -0.01 -0.27 -0.02 0.37 -0.07 -0.16 0.32 0.24 0.03 0.41 0.21 0.00 -0.07 -0.01 0.03 0.00 -0.03 -0.04 -0.01 0.02 -0.02 -0.03 0.02 0.01 -0.03 0.03 -0.01 -0.04 0.05 -0.03 0.00 0.01 -0.05 -0.04 0.05 -0.03 0.02 -0.01 0.03 -0.04 -0.00 0.03 0.04 -0.03 0.05 -0.11 -0.08 -0.01 0.17 0.08 0.02 -0.03 -0.03 0.03 -0.10 0.01 0.03 0.03 0.19 -0.01 0.16 0.09 0.09 -0.01 -0.00 0.04 -0.02 -0.02 0.05 0.08 -0.04 -0.10 0.00 -0.04 -0.08 0.02 0.01 0.06 -0.03 -0.07 0.09 0.06 -0.07 -0.09 0.09 0.03 -0.01 0.05 -0.05 0.02 -0.01 0.02 0.03 -0.01 -0.01 0.01 0.01 -0.11 -0.07 -0.01 0.01 0.03 -0.03 0.01 -0.00 -0.02 0.02 0.03 -0.04 0.02 0.01 -0.03 0.05 0.02 -0.04 0.07 -0.09 0.01 0.00 -0.06 -0.03 -0.09 -0.13 0.15 -0.01 0.06 0.01 -0.06 0.11 0.05 -0.07 -0.13 0.08 0.02 0.02 0.03 0.29 0.01 -0.03 0.07 0.08 -0.02 0.01 0.03 -0.04 -0.04 0.02 -0.26 -0.25 0.10 0.07 -0.29 -0.36 -0.04 0.01 -0.01 -0.03 0.02 0.05 -0.05 0.03 0.01 -0.10 0.12 -0.12 0.04 0.01 -0.20 -0.11 0.14 -0.12 0.04 0.01 -0.07 0.08 0.00 -0.06 -0.05 0.02 -0.12 0.01 -0.04 -0.02 0.04 0.03 -0.06 -0.01 -0.01 -0.09 0.27 -0.04 -0.02 -0.03 0.01 0.08 0.07 -0.01 0.06 0.00 -0.01 0.02 -0.05 0.04 0.04 0.01 -0.01 -0.03 -0.03 -0.00 -0.02 -0.11 0.05 -0.09 -0.03 0.05 0.09 0.01 0.03 -0.06 0.03 -0.03 0.01 -0.01 0.07 0.04 -0.10 -0.04 0.03 0.01 -0.01 -0.00 0.04 -0.02 -0.03 0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 0.01 0.02 -0.01 0.00 0.00 0.03 -0.01 -0.01 -0.01 0.02 -0.03 -0.12 0.01 0.12 -0.06 -0.04 -0.06 -0.40 -0.09 -0.19 0.02 0.20 -0.34 0.02 0.04 -0.13 0.01 0.11 0.03 -0.04 -0.19 0.05 -0.14 0.05 0.08 -0.13 -0.08 0.03 -0.14 -0.11 0.02 0.03 -0.04 -0.01 0.06 -0.04 -0.05 -0.02 -0.01 -0.01 0.01 0.02 0.03 -0.02 0.01 0.00 -0.03 0.05 -0.04 0.03 -0.00 -0.08 -0.04 0.05 -0.04 -0.27 -0.00 0.16 -0.23 0.01 0.13 0.02 0.04 0.27 0.00 -0.02 0.04 0.09 -0.03 0.28 -0.04 -0.01 -0.04 0.11 -0.01 0.01 -0.00 0.10 0.04 -0.04 0.10 -0.29 0.03 0.00 0.01 -0.05 0.01 -0.10 0.07 -0.07 0.07 0.06 -0.08 0.16 -0.04 0.02 -0.02 -0.07 0.03 -0.24 0.10 -0.06 0.15 -0.00 -0.01 -0.10 0.02 0.01 -0.04 -0.01 -0.02 -0.07 0.01 -0.02 -0.02 -0.05 -0.06 0.02 -0.01 -0.00 0.02 -0.01 0.02 -0.03 -0.04 0.01 0.02 -0.02 0.05 0.00 -0.00 0.02 0.01 -0.02 0.04 -0.05 -0.08 0.01 0.04 0.08 -0.13 0.34 -0.05 0.05 -0.01 -0.00 -0.04 -0.04 0.15 -0.08 0.27 0.06 0.04 0.04 0.01 0.09 0.04 -0.00 -0.03 -0.02 0.05 -0.05 -0.16 -0.08 0.04 -0.11 -0.30 -0.08 0.11 -0.04 -0.14 -0.18 -0.00 0.05 -0.06 -0.06 0.00 0.03 -0.02 0.08 0.00 -0.06 0.08 -0.06 0.04 0.00 -0.11 -0.06 0.08 -0.06 -0.14 0.00 0.05 -0.11 0.01 0.04 -0.03 0.03 0.09 -0.01 -0.00 -0.00 -0.06 0.07 -0.01 -0.05 -0.01 -0.03 0.06 -0.01 0.02 0.01 0.11 0.03 -0.01 0.02 0.01 -0.06 0.08 -0.06 0.01 -0.03 0.01 0.05 -0.05 -0.02 0.03 -0.06 -0.05 -0.02 -0.00 -0.01 0.02 -0.03 0.02 0.06 -0.06 -0.03 -0.00 -0.00 0.01 0.04 -0.03 -0.02 0.11 0.02 -0.03 -0.07 0.04 0.05 -0.12 0.00 0.03 -0.02 0.06 -0.11 0.00 -0.03 0.08 0.03 -0.01 -0.11 0.07 -0.06 0.01 -0.01 0.03 0.02 0.02 -0.07 0.16 -0.08 0.00 0.01 0.01 -0.07 -0.09 -0.04 -0.05 -0.03 0.02 0.01 -0.06 0.09 -0.05 -0.04 0.05 0.00 -0.04 0.03 0.12 0.03 0.15 -0.08 -0.10 0.12 0.06 -0.00 0.19 0.09 -0.00 -0.21 -0.08 0.12 -0.09 -0.08 -0.11 0.00 -0.06 0.15 0.08 -0.04 -0.19 0.15 -0.12 0.03 0.16 -0.21 0.21 -0.19 0.05 0.39 0.16 -0.23 0.21 -0.12 0.00 0.03 -0.09 0.01 0.02 -0.04 0.02 0.05 0.00 -0.07 -0.01 0.06 0.07 0.03 0.12 0.01 0.04 -0.08 0.00 -0.05 -0.04 -0.12 -0.02 0.08 0.01 -0.04 -0.06 0.04 -0.04 -0.12 0.06 -0.00 0.02 -0.00 -0.01 -0.07 -0.01 0.07 -0.05 0.01 0.02 -0.11 0.14 0.01 0.05 0.10 -0.01 0.05 -0.06 -0.03 -0.01 0.17 0.06 -0.04 -0.10 -0.02 -0.04 0.03 0.04 -0.04 -0.03 -0.00 -0.02 0.05 -0.07 -0.01 -0.00 0.05 0.02 0.02 -0.07 0.02 -0.04 0.00 0.03 -0.04 -0.05 -0.01 -0.02 0.07 0.19 -0.01 0.00 -0.08 -0.09 0.14 -0.03 0.06 0.04 -0.06 -0.03 0.06 0.12 0.11 -0.04 0.03 0.24 0.12 -0.13 -0.29 -0.07 -0.08 -0.02 0.02 -0.06 -0.14 -0.04 -0.08 -0.14 -0.04 -0.21 -0.15 0.13 0.01 -0.16 -0.21 -0.00 -0.02 0.09 0.06 0.00 -0.11 0.04 -0.11 0.01 0.07 -0.10 0.10 -0.12 0.05 0.19 0.07 -0.10 0.10 0.24 0.00 -0.02 0.21 -0.01 0.00 0.13 -0.03 -0.05 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.14 0.15 0.05 -0.01 0.00 0.02 0.01 -0.00 0.01 -0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.01 0.02 0.02 0.01 0.00 0.01 -0.00 0.01 -0.00 0.02 -0.02 -0.01 0.00 0.00 -0.09 -0.10 -0.03 -0.00 -0.00 0.00 -0.08 -0.09 -0.03 -0.11 -0.12 -0.04 -0.12 -0.13 -0.04 0.18 0.20 0.06 0.00 -0.00 -0.00 0.01 0.01 0.00 0.02 -0.00 -0.00 -0.02 -0.01 -0.06 -0.02 -0.01 -0.00 -0.00 0.02 -0.01 0.02 0.01 0.00 -0.00 0.04 -0.05 -0.02 -0.04 -0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.04 0.13 -0.10 0.06 -0.01 0.17 -0.13 -0.14 -0.04 -0.15 -0.16 -0.05 0.49 0.54 0.18 -0.06 0.12 0.05 0.06 0.06 0.02 0.14 -0.04 -0.02 0.03 0.00 -0.01 0.02 0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.01 -0.02 -0.05 -0.03 0.01 -0.00 0.02 0.00 0.02 0.01 -0.01 -0.00 0.02 -0.04 0.08 0.00 0.03 -0.00 -0.01 0.04 -0.20 -0.01 0.03 -0.07 0.06 0.00 0.16 0.03 0.03 -0.02 -0.01 -0.01 -0.12 -0.04 0.01 -0.14 0.00 0.01 -0.03 0.06 -0.06 0.21 -0.01 -0.00 0.02 -0.02 -0.00 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.02 0.02 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 0.01 -0.04 0.00 -0.01 0.14 -0.03 0.50 0.16 0.21 0.09 -0.01 -0.13 0.14 -0.08 0.02 -0.23 0.13 -0.11 0.54 0.06 0.08 0.02 -0.01 0.01 0.06 -0.02 0.05 0.07 -0.02 -0.09 0.03 0.08 0.01 -0.03 0.02 0.01 0.06 -0.02 -0.02 0.02 -0.00 -0.01 -0.03 0.06 0.03 0.02 0.01 -0.01 0.02 -0.02 0.02 0.04 0.02 -0.02 0.02 -0.04 -0.00 -0.00 -0.05 0.00 -0.01 -0.04 0.00 0.00 0.13 0.07 -0.03 -0.02 0.20 -0.02 0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.07 0.00 -0.01 0.10 0.04 0.04 -0.05 0.06 -0.16 -0.11 -0.05 -0.08 -0.10 -0.02 -0.12 -0.14 0.03 -0.09 -0.16 0.00 -0.05 0.03 0.01 -0.07 -0.02 -0.07 -0.06 -0.03 0.05 -0.05 0.02 0.10 0.12 0.02 -0.03 0.02 0.01 -0.05 -0.07 0.07 -0.05 0.02 -0.08 0.09 0.02 -0.03 -0.06 0.03 -0.06 0.10 0.02 0.00 -0.01 0.01 0.02 -0.01 0.03 -0.01 -0.05 0.04 -0.00 0.01 -0.11 -0.15 0.12 0.01 -0.13 0.03 -0.04 -0.29 0.02 0.01 0.00 -0.14 -0.03 -0.01 0.21 -0.04 0.06 -0.00 0.21 -0.17 -0.18 0.18 0.10 -0.02 0.25 0.19 0.01 -0.24 0.04 0.03 -0.05 -0.01 -0.20 0.01 -0.04 -0.05 0.00 -0.02 0.15 -0.03 0.09 -0.01 -0.05 0.08 -0.06 0.14 -0.06 -0.15 -0.01 0.06 -0.07 0.04 -0.00 0.00 0.05 -0.00 0.01 0.03 0.00 -0.00 -0.06 -0.08 -0.00 -0.17 -0.09 0.01 0.04 -0.00 0.01 -0.02 -0.01 -0.02 -0.03 0.03 0.02 -0.15 0.01 -0.03 0.03 -0.04 0.02 -0.04 0.05 -0.05 0.14 -0.08 0.00 0.07 -0.09 -0.05 -0.05 0.04 0.01 -0.01 0.07 0.07 0.19 -0.01 -0.13 -0.03 0.06 0.12 0.12 0.10 0.03 -0.01 0.14 0.03 0.01 -0.02 -0.04 -0.07 0.05 0.02 0.05 -0.01 0.06 0.04 0.02 -0.03 0.00 -0.02 0.05 -0.02 -0.00 -0.01 0.00 -0.00 -0.02 0.02 -0.01 -0.03 0.07 -0.00 0.01 0.03 -0.19 -0.06 -0.02 0.11 0.05 -0.05 -0.02 0.05 0.29 0.02 -0.26 0.19 0.25 0.05 -0.11 -0.21 -0.03 0.01 0.11 -0.08 -0.00 0.07 -0.03 0.04 0.30 0.04 0.09 0.16 -0.10 -0.15 0.20 0.21 0.05 0.04 -0.04 -0.05 -0.03 0.08 -0.09 0.00 -0.04 -0.00 -0.00 -0.07 0.06 -0.07 -0.11 -0.07 0.05 -0.04 0.07 0.00 0.00 0.08 -0.00 0.01 0.05 -0.00 -0.00 -0.00 0.01 -0.01 0.04 0.02 0.05 -0.03 0.01 -0.00 0.01 -0.00 0.02 0.03 -0.01 -0.01 -0.02 0.04 -0.18 -0.01 0.00 -0.00 0.00 0.03 -0.11 -0.01 0.01 0.13 -0.02 0.06 -0.05 0.06 0.03 -0.02 0.05 -0.04 0.15 -0.09 0.03 -0.11 0.10 -0.11 0.25 -0.02 -0.04 0.05 -0.00 -0.06 -0.03 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.02 -0.01 0.00 0.01 -0.05 0.00 -0.01 -0.02 0.09 -0.09 0.17 0.18 0.07 0.01 -0.11 0.12 -0.18 0.06 -0.31 -0.05 -0.07 -0.02 0.05 -0.14 -0.03 -0.09 0.10 -0.24 -0.09 -0.45 -0.30 -0.05 0.30 -0.08 -0.07 -0.04 0.04 0.03 -0.05 -0.08 -0.00 -0.00 0.01 0.02 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.02 0.01 -0.01 0.01 -0.04 0.00 -0.00 -0.05 0.00 -0.01 -0.04 0.00 -0.00 0.05 0.02 -0.01 0.09 -0.13 -0.01 0.00 -0.02 0.02 0.03 0.01 0.00 -0.01 -0.02 -0.03 -0.02 0.04 -0.03 -0.01 0.03 -0.05 -0.09 -0.08 -0.01 -0.00 -0.02 0.01 -0.09 -0.06 -0.01 -0.06 -0.13 -0.00 -0.04 0.01 0.02 0.00 0.01 -0.02 0.02 0.07 0.06 -0.00 0.02 0.02 -0.03 0.14 0.05 -0.02 -0.06 0.05 0.12 -0.10 0.06 0.02 0.08 -0.07 -0.03 0.05 0.05 -0.06 0.06 -0.09 -0.04 0.03 0.01 0.00 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.09 -0.07 0.01 0.02 -0.15 -0.01 -0.04 -0.19 0.01 0.02 0.01 -0.05 0.01 0.04 0.03 0.10 0.60 0.08 -0.03 0.15 0.01 -0.03 0.08 -0.01 -0.04 0.20 0.04 0.32 -0.03 -0.05 0.16 -0.05 0.28 -0.01 0.11 0.01 -0.08 0.02 -0.13 0.01 -0.05 0.02 0.07 -0.10 -0.01 -0.09 0.01 0.06 -0.02 -0.03 0.03 0.02 -0.00 0.00 0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.00 -0.04 0.03 0.01 -0.02 -0.01 0.02 0.05 0.02 0.02 -0.01 -0.11 -0.06 -0.00 -0.01 -0.00 0.00 -0.01 0.02 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.00 -0.02 -0.00 0.03 0.01 0.03 0.04 0.01 0.00 -0.02 0.01 0.02 0.04 -0.01 0.00 -0.03 -0.01 0.01 0.02 -0.02 -0.04 0.03 -0.02 -0.01 -0.02 0.02 0.01 -0.02 -0.02 0.02 -0.02 0.03 0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.03 0.01 0.07 -0.01 -0.02 -0.02 0.02 0.02 0.05 0.04 0.02 0.03 0.06 -0.01 0.23 0.92 0.14 -0.01 -0.02 -0.02 -0.00 -0.05 -0.02 -0.00 -0.02 -0.01 -0.10 0.02 0.01 -0.06 0.03 -0.08 0.01 -0.03 -0.00 0.02 -0.01 0.04 -0.01 0.01 -0.01 -0.02 0.03 0.00 0.03 -0.01 -0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 -0.03 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 -0.02 0.12 0.02 0.02 -0.00 0.00 -0.01 0.00 0.02 0.00 -0.00 0.01 0.03 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.03 -0.01 0.00 0.07 0.14 -0.01 -0.01 0.09 0.08 -0.17 -0.08 -0.22 0.13 0.05 -0.03 0.10 -0.08 -0.09 0.12 -0.09 0.00 -0.00 0.00 0.26 -0.20 -0.14 0.00 0.00 0.00 0.02 0.00 -0.01 0.01 0.04 0.00 -0.00 0.04 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.03 0.01 0.02 -0.05 -0.02 0.02 -0.01 -0.00 0.02 -0.02 -0.01 -0.06 -0.14 0.19 -0.03 -0.05 -0.07 -0.27 0.09 0.02 -0.11 0.22 0.11 0.02 0.03 -0.06 0.23 -0.12 -0.08 0.29 -0.15 -0.10 0.38 -0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.03 0.02 0.01 0.00 -0.01 0.03 0.02 0.02 0.00 -0.01 0.00 -0.00 0.01 0.02 0.00 0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.04 -0.01 -0.02 -0.01 0.00 0.02 -0.07 -0.02 -0.20 -0.20 -0.06 -0.07 -0.02 0.00 0.22 0.17 0.07 0.04 0.10 0.03 -0.06 -0.07 -0.02 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.06 -0.04 -0.03 -0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.03 -0.00 0.00 0.05 0.00 -0.02 -0.00 0.01 -0.02 -0.02 0.00 0.01 0.01 0.00 0.02 -0.07 -0.03 0.02 -0.06 -0.02 0.02 -0.06 -0.02 -0.02 0.23 -0.18 0.09 -0.07 0.30 0.19 0.27 0.08 -0.26 -0.23 -0.04 -0.03 -0.01 -0.02 0.22 -0.33 -0.18 -0.08 -0.19 -0.08 -0.29 0.06 0.05 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.04 0.00 0.02 -0.00 -0.00 0.08 -0.03 0.03 0.02 -0.00 -0.06 -0.16 -0.01 0.05 -0.00 0.01 -0.02 0.00 0.00 -0.01 0.05 0.09 0.01 -0.00 -0.04 -0.03 0.10 -0.00 -0.04 -0.16 0.18 0.06 -0.01 -0.05 -0.04 -0.07 -0.17 -0.03 0.01 -0.02 0.06 -0.09 -0.12 0.03 0.02 -0.01 -0.00 0.01 0.00 0.00 0.02 -0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.05 -0.01 0.01 0.01 0.16 -0.01 0.04 0.11 -0.03 0.02 -0.35 0.14 0.01 -0.15 0.33 -0.05 -0.08 -0.18 0.02 -0.07 -0.14 0.10 -0.17 0.51 0.12 0.02 -0.01 -0.06 0.01 -0.08 -0.06 0.02 0.10 -0.01 0.02 -0.02 0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.02 0.01 -0.01 0.02 0.01 0.01 0.00 0.00 0.17 0.00 0.02 0.19 -0.01 0.04 0.11 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 0.03 0.04 -0.00 0.01 -0.01 -0.03 -0.04 0.01 -0.00 0.04 0.01 -0.00 -0.02 -0.06 0.06 -0.16 0.05 -0.08 0.21 0.03 -0.04 0.01 0.00 0.08 -0.05 0.01 -0.01 0.19 -0.01 -0.08 0.01 -0.07 0.05 -0.20 -0.07 0.00 -0.03 0.00 -0.00 -0.02 0.02 -0.02 0.00 0.01 -0.02 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.03 -0.05 -0.17 0.21 0.31 0.10 -0.08 -0.16 0.19 -0.04 -0.02 -0.36 -0.13 0.08 -0.35 0.06 0.06 -0.02 0.06 -0.11 0.12 0.05 0.29 0.20 0.05 -0.29 0.02 0.00 -0.02 0.03 0.02 -0.03 0.01 0.01 0.00 -0.03 -0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.03 0.00 -0.00 0.03 -0.00 -0.00 -0.02 -0.00 -0.03 0.00 0.00 -0.00 0.03 -0.11 0.07 0.02 -0.02 0.02 0.02 -0.02 -0.02 -0.08 0.06 0.03 0.04 -0.07 -0.03 -0.13 0.04 0.21 -0.03 -0.06 -0.09 0.04 0.09 0.10 -0.07 0.07 0.02 -0.13 -0.09 0.01 0.06 -0.09 0.03 0.00 0.07 0.01 0.07 0.05 -0.07 0.11 -0.08 -0.04 -0.02 0.06 0.02 -0.15 0.12 -0.04 -0.01 0.09 -0.22 0.02 -0.01 0.04 -0.06 0.06 0.01 0.11 -0.12 0.01 0.10 -0.04 -0.15 -0.02 0.05 -0.02 0.02 -0.03 0.03 0.07 -0.00 0.02 -0.07 0.10 -0.01 -0.12 -0.02 0.05 -0.11 -0.14 0.01 -0.18 0.07 -0.11 0.06 -0.12 -0.15 -0.14 0.08 0.03 -0.09 0.20 0.14 -0.08 0.04 0.06 -0.10 -0.14 -0.00 0.00 0.14 -0.26 -0.05 0.16 -0.14 -0.04 -0.05 0.27 0.05 -0.11 0.07 0.11 -0.04 -0.15 0.07 -0.08 0.04 -0.03 -0.01 0.08 0.03 -0.07 0.05 0.07 0.00 0.01 0.09 -0.00 0.02 0.03 0.00 -0.01 -0.04 -0.03 0.00 -0.07 0.09 -0.04 0.03 -0.03 0.02 0.02 -0.02 -0.04 -0.11 0.09 0.06 0.01 -0.01 0.01 0.09 -0.04 -0.14 0.04 -0.10 -0.11 -0.00 0.11 0.11 -0.05 0.10 0.01 -0.17 -0.12 0.03 0.15 -0.09 -0.02 0.02 0.20 0.01 0.01 -0.01 -0.05 0.22 -0.06 -0.05 0.00 -0.08 -0.03 0.09 -0.08 0.02 -0.06 -0.03 0.16 -0.00 0.00 -0.02 0.04 -0.04 -0.01 -0.08 0.07 0.01 -0.07 0.03 0.11 -0.03 0.08 -0.03 0.01 0.00 -0.03 0.09 -0.01 0.03 -0.00 0.23 -0.01 -0.23 -0.07 0.05 -0.14 -0.11 -0.02 -0.17 0.19 -0.11 0.15 -0.19 -0.12 -0.22 0.13 0.05 -0.02 -0.04 0.03 -0.02 -0.05 0.02 -0.02 -0.19 -0.03 -0.12 -0.08 0.21 -0.04 -0.09 0.05 0.04 0.04 -0.19 -0.05 0.06 -0.03 -0.08 0.05 0.11 -0.03 0.03 -0.04 0.05 -0.02 -0.08 -0.02 0.04 -0.04 0.09 0.00 0.01 0.12 -0.00 0.03 0.05 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.09 0.01 0.23 0.20 -0.02 -0.03 -0.08 0.04 -0.20 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.03 -0.02 0.03 -0.14 -0.01 0.00 0.06 -0.02 0.02 -0.06 0.01 -0.02 0.05 0.02 -0.01 0.05 0.02 -0.01 0.04 0.01 -0.01 -0.06 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.11 -0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.00 0.02 0.00 -0.03 0.14 0.35 0.09 0.02 -0.21 -0.09 0.26 0.04 -0.05 0.27 0.02 -0.01 -0.04 -0.08 -0.39 -0.27 -0.01 0.04 -0.02 -0.01 -0.07 -0.05 -0.02 0.08 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.22 0.00 -0.03 0.22 -0.01 -0.02 -0.22 -0.00 -0.23 -0.07 -0.05 0.01 0.09 -0.00 0.00 -0.02 -0.01 0.05 0.04 -0.02 -0.01 -0.03 0.07 -0.02 -0.07 0.09 0.04 -0.02 0.01 0.06 0.18 -0.05 -0.04 -0.11 -0.10 0.07 0.23 -0.08 -0.08 -0.06 -0.13 0.01 0.18 0.15 -0.06 -0.09 0.13 0.01 -0.16 -0.03 0.02 -0.10 0.16 0.07 -0.02 -0.08 -0.02 -0.01 0.01 0.01 0.11 -0.06 -0.03 -0.01 -0.00 -0.00 -0.02 0.04 -0.01 0.04 -0.02 -0.03 0.04 -0.01 -0.10 -0.03 0.05 -0.01 -0.05 0.03 0.03 0.02 -0.00 0.01 0.32 0.16 -0.14 -0.01 -0.13 0.01 -0.09 -0.09 0.02 0.11 0.17 -0.09 -0.16 -0.01 0.08 -0.09 -0.02 -0.05 0.11 -0.36 -0.15 0.11 0.08 -0.01 0.13 0.09 0.02 0.17 -0.03 -0.07 0.15 -0.05 0.05 -0.02 0.01 0.05 0.03 -0.01 -0.01 0.05 -0.03 -0.10 -0.05 0.04 0.05 -0.07 0.06 0.06 -0.02 0.01 0.03 0.06 0.00 -0.00 0.07 -0.00 0.00 -0.04 0.00 -0.05 -0.01 -0.01 -0.00 0.01 0.00 -0.01 0.04 -0.01 -0.09 -0.06 0.00 0.02 0.01 0.00 0.08 -0.02 0.02 0.02 0.00 0.00 0.01 -0.03 0.01 -0.20 -0.07 0.02 -0.23 0.05 -0.03 0.10 -0.04 -0.00 -0.02 0.09 -0.02 0.24 0.03 0.01 0.13 -0.02 -0.02 0.05 -0.02 0.03 -0.14 -0.00 -0.02 0.01 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.02 0.03 0.00 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.16 -0.05 0.56 -0.06 0.15 0.06 0.01 -0.14 -0.00 0.11 -0.03 0.43 -0.06 0.02 -0.26 0.03 0.12 0.10 0.02 -0.07 -0.06 0.03 -0.06 -0.06 0.02 0.12 0.01 0.04 -0.00 -0.02 0.03 -0.01 0.03 0.01 0.01 0.01 0.02 0.01 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.07 -0.00 0.01 -0.06 0.00 0.01 0.10 -0.00 0.09 -0.01 -0.01 0.00 0.00 -0.03 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.04 -0.02 -0.12 -0.12 -0.10 0.03 -0.00 -0.02 -0.01 -0.01 -0.01 0.06 -0.02 -0.01 -0.02 -0.05 -0.00 0.03 0.04 0.01 -0.03 -0.00 0.01 0.02 0.01 -0.00 -0.07 0.04 0.01 -0.00 0.04 0.01 0.10 0.13 0.02 0.03 0.10 -0.10 0.12 0.14 0.03 -0.08 -0.13 0.03 -0.13 -0.07 -0.01 0.05 0.10 0.20 0.00 0.01 0.00 0.09 -0.02 -0.03 -0.00 -0.00 0.00 0.08 0.01 0.01 -0.00 -0.04 0.00 -0.01 -0.06 -0.00 0.01 0.00 0.02 -0.08 0.01 0.01 -0.01 0.01 0.00 -0.03 0.10 0.04 -0.03 0.01 0.01 -0.03 0.01 0.01 -0.06 -0.07 0.03 -0.10 0.14 -0.34 -0.25 -0.30 -0.06 -0.27 -0.30 -0.13 0.04 0.06 0.19 0.22 -0.25 -0.16 -0.00 -0.11 -0.06 -0.16 0.03 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 0.02 -0.03 0.03 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.03 -0.02 -0.01 0.08 0.13 -0.05 0.03 -0.00 -0.02 -0.00 -0.00 -0.00 0.07 -0.01 -0.02 -0.02 -0.06 -0.00 0.02 0.04 0.01 -0.04 -0.01 0.01 0.04 0.01 -0.01 -0.08 0.04 0.02 0.00 0.03 0.01 -0.10 -0.06 -0.07 -0.05 0.07 -0.21 -0.09 -0.08 -0.06 0.08 0.01 0.13 -0.00 0.11 0.07 -0.14 -0.10 0.25 0.00 0.02 0.00 0.10 -0.10 -0.08 0.00 -0.00 0.00 0.09 0.02 -0.00 -0.00 -0.06 0.00 -0.01 -0.07 -0.00 -0.00 0.00 -0.00 -0.10 0.01 0.01 -0.01 0.00 -0.00 -0.03 0.11 0.05 -0.03 -0.00 0.01 -0.04 -0.02 -0.00 -0.04 0.25 -0.33 -0.02 0.12 -0.02 0.22 0.20 0.13 0.23 0.24 0.02 -0.09 -0.08 0.27 0.04 0.02 0.01 0.15 -0.04 -0.05 0.29 -0.16 -0.12 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.08 -0.02 0.02 0.00 0.02 -0.00 0.00 0.02 -0.00 -0.01 -0.01 0.01 -0.10 0.11 0.06 -0.02 0.01 -0.01 -0.04 -0.01 0.03 -0.06 -0.05 0.02 -0.13 -0.01 0.02 0.05 0.16 0.00 -0.00 -0.07 -0.02 0.07 0.06 -0.02 -0.19 -0.02 0.04 0.20 -0.06 -0.05 -0.04 -0.10 -0.02 0.00 0.02 -0.01 0.11 -0.01 -0.17 -0.00 0.01 -0.02 -0.01 -0.00 0.06 -0.01 0.02 -0.00 -0.00 0.00 0.11 -0.01 -0.07 -0.00 0.03 -0.02 -0.02 0.01 0.00 0.00 -0.15 -0.01 -0.01 -0.01 0.16 -0.00 0.02 0.19 0.01 0.05 0.06 -0.02 0.21 -0.06 -0.04 0.01 0.01 0.01 0.15 -0.50 -0.20 0.15 0.12 -0.02 0.16 0.16 0.03 0.17 0.06 -0.23 0.09 0.06 -0.04 -0.12 -0.13 0.03 -0.07 -0.10 -0.09 -0.06 -0.14 0.08 0.04 -0.03 -0.00 0.01 0.00 0.01 0.06 -0.05 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.02 -0.00 -0.00 -0.01 0.00 0.00 0.02 0.02 0.01 0.03 0.02 -0.00 0.02 0.03 0.01 -0.04 -0.05 -0.01 -0.04 -0.05 -0.02 -0.05 -0.06 -0.02 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.02 0.00 0.01 0.01 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.01 0.02 0.00 0.01 0.03 0.01 -0.02 -0.08 0.08 -0.01 0.01 -0.14 0.35 0.40 0.12 0.36 0.39 0.12 0.37 0.39 0.14 0.07 -0.10 -0.06 -0.06 -0.05 -0.01 -0.12 0.04 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 0.01 -0.00 0.00 -0.02 -0.17 0.02 -0.03 -0.24 -0.01 -0.01 -0.22 -0.01 -0.02 0.03 0.01 -0.00 -0.00 -0.00 -0.02 0.02 0.02 0.00 -0.01 -0.02 -0.04 0.01 0.04 0.08 0.04 -0.02 -0.04 -0.01 0.01 0.04 -0.03 -0.01 -0.04 -0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.03 -0.01 0.00 0.01 0.00 0.02 -0.01 -0.03 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 0.11 0.79 0.01 0.00 0.00 -0.00 -0.05 -0.01 -0.01 -0.06 0.04 -0.07 0.03 0.07 -0.00 0.07 0.05 -0.00 0.06 -0.04 0.04 0.06 0.06 0.04 -0.12 -0.28 -0.05 0.03 -0.12 -0.05 0.04 0.01 -0.01 0.04 0.04 0.01 0.04 0.01 -0.04 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.15 0.03 -0.05 0.07 0.03 0.03 -0.04 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.08 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.05 -0.02 0.02 -0.10 -0.00 0.01 -0.02 -0.02 0.01 -0.10 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.08 0.01 0.01 0.01 -0.01 -0.01 0.01 0.14 -0.08 0.63 0.16 -0.10 0.70 0.00 0.01 0.00 0.00 -0.01 0.04 0.00 0.05 0.03 0.00 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.07 -0.12 -0.01 0.01 0.00 -0.02 0.00 0.00 0.03 0.01 0.02 -0.02 0.02 0.25 0.07 -0.02 -0.01 -0.01 -0.02 0.07 0.02 0.12 0.12 -0.01 0.05 0.14 0.02 -0.07 -0.16 -0.01 -0.09 -0.00 0.02 0.04 -0.12 -0.03 0.01 0.11 0.03 -0.05 -0.01 0.01 0.02 -0.25 -0.08 0.05 0.05 0.01 -0.04 -0.05 -0.03 0.00 0.01 0.00 0.00 0.00 0.00 -0.03 -0.04 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.13 -0.06 0.07 -0.15 0.00 -0.06 -0.24 0.03 -0.06 -0.14 -0.00 0.03 0.18 0.04 0.03 -0.02 -0.03 0.03 -0.28 -0.10 0.02 -0.27 -0.09 0.01 -0.23 -0.09 0.20 0.06 -0.17 -0.17 0.18 0.24 -0.07 -0.10 0.00 0.17 0.18 0.06 0.07 0.09 0.03 0.03 -0.04 -0.03 -0.02 -0.02 -0.01 -0.04 0.01 0.02 -0.01 -0.00 0.01 -0.02 0.00 0.00 0.04 -0.00 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.01 0.15 0.00 0.00 -0.14 0.04 -0.00 0.07 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.08 0.03 0.00 0.04 -0.03 0.03 -0.07 0.10 -0.04 0.11 -0.01 -0.00 0.04 0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.09 -0.00 0.00 0.00 -0.08 0.00 -0.01 0.10 -0.06 0.52 -0.35 -0.25 -0.07 0.31 0.21 -0.32 0.02 -0.02 0.01 0.00 0.05 0.00 -0.15 0.08 0.06 0.01 -0.04 0.01 0.00 0.03 0.02 0.01 -0.06 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.08 0.00 -0.04 0.07 -0.01 -0.05 -0.26 0.00 -0.19 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 0.00 0.02 0.02 0.00 0.01 0.03 -0.01 -0.01 -0.03 -0.00 -0.02 0.00 0.00 0.01 -0.03 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 0.03 0.02 -0.01 0.01 -0.01 -0.00 -0.08 -0.07 -0.01 0.08 0.09 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.04 0.01 -0.04 -0.00 -0.01 -0.04 0.00 -0.00 -0.03 -0.00 0.02 0.05 -0.00 0.00 -0.01 -0.01 0.01 -0.04 -0.02 0.00 -0.02 -0.01 0.00 -0.01 -0.01 -0.02 -0.06 0.05 -0.01 0.02 -0.13 0.42 0.50 0.15 -0.44 -0.48 -0.18 0.05 -0.02 0.02 -0.07 0.09 0.06 0.04 0.04 0.01 0.07 -0.01 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.05 -0.06 -0.03 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.05 0.00 -0.12 0.11 -0.02 -0.00 -0.02 -0.00 -0.02 -0.02 -0.00 -0.01 -0.03 0.01 0.01 0.03 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 -0.01 -0.01 -0.00 -0.07 0.11 -0.04 -0.02 -0.05 0.14 -0.08 0.08 -0.02 0.08 -0.08 -0.16 0.03 -0.06 0.20 -0.02 0.01 0.01 0.00 0.00 -0.00 0.10 -0.06 -0.11 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 0.03 0.00 0.01 0.03 -0.01 0.00 0.03 0.00 -0.01 -0.04 0.01 -0.01 0.01 0.01 0.01 -0.06 -0.03 0.02 0.02 -0.01 0.02 0.03 0.01 0.12 -0.13 0.14 0.02 -0.08 0.15 0.25 0.09 -0.08 -0.11 -0.21 0.16 -0.33 0.36 -0.06 0.27 -0.21 0.00 -0.08 0.06 0.12 0.29 -0.28 -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 0.03 0.04 0.00 0.00 -0.00 -0.06 0.01 -0.01 0.07 -0.02 0.01 -0.06 -0.05 -0.06 -0.01 -0.01 0.01 0.00 0.01 0.02 0.05 0.03 0.02 0.06 -0.02 0.06 -0.14 -0.03 -0.03 -0.01 -0.02 -0.00 0.01 0.01 -0.03 -0.04 -0.03 0.00 0.00 0.02 -0.01 0.03 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.04 0.00 0.01 -0.01 0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.03 0.02 0.04 0.01 -0.00 -0.01 0.04 -0.00 0.01 0.20 -0.07 0.82 0.10 -0.09 -0.02 -0.10 0.00 0.07 0.04 -0.07 0.17 0.00 0.09 -0.17 0.03 -0.09 -0.07 0.02 -0.07 0.01 0.01 0.08 0.04 0.02 -0.04 0.01 -0.02 -0.03 0.05 0.09 -0.08 -0.06 -0.06 -0.08 -0.05 0.06 0.05 0.03 -0.06 0.00 -0.02 0.04 -0.04 -0.01 -0.03 0.01 0.02 0.02 -0.03 0.00 -0.03 -0.00 0.02 -0.02 0.01 0.02 0.11 0.00 0.08 -0.01 -0.00 0.00 -0.07 -0.10 -0.01 -0.00 -0.00 -0.03 0.00 -0.01 0.03 -0.02 -0.01 -0.02 0.16 0.17 -0.00 0.01 -0.03 -0.01 -0.00 -0.08 0.03 -0.03 -0.08 0.04 -0.06 -0.11 -0.10 0.03 0.12 -0.01 0.07 -0.00 -0.02 -0.07 0.12 -0.00 0.07 -0.01 -0.03 -0.01 -0.00 0.03 0.02 0.01 -0.02 0.05 0.03 0.02 -0.11 -0.02 -0.01 0.02 -0.02 0.01 -0.05 -0.02 0.02 0.01 0.03 -0.02 -0.00 -0.01 -0.01 -0.02 0.02 0.02 -0.02 -0.00 0.03 0.03 -0.00 0.01 0.08 -0.19 0.52 0.04 0.09 -0.01 -0.03 0.16 0.05 0.01 0.10 0.19 -0.15 -0.20 -0.15 0.01 -0.06 -0.03 -0.02 0.12 0.09 -0.02 0.04 0.04 -0.00 -0.11 -0.02 0.07 0.10 -0.14 -0.23 0.19 0.22 0.10 0.13 0.10 -0.10 -0.08 -0.05 0.12 0.01 0.03 -0.09 0.08 0.01 0.07 -0.03 -0.05 -0.05 0.07 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.02 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.00 -0.02 0.01 -0.00 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 0.01 -0.00 0.04 -0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.01 -0.12 -0.00 0.00 0.00 0.03 -0.01 0.11 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.02 0.00 -0.00 -0.05 0.03 -0.22 -0.01 0.04 0.02 0.02 -0.05 -0.01 0.14 -0.10 0.67 -0.14 0.09 -0.63 -0.00 0.03 0.02 0.00 -0.01 0.02 -0.00 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.04 -0.00 -0.02 -0.00 -0.00 0.00 -0.04 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.03 -0.04 0.23 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.00 0.02 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.04 -0.01 -0.01 0.04 -0.04 0.00 0.02 -0.01 -0.03 0.01 -0.00 -0.05 0.10 -0.12 -0.09 -0.10 0.08 -0.12 0.03 0.06 0.07 0.00 0.00 -0.00 -0.03 0.05 -0.07 -0.01 -0.00 -0.00 -0.00 -0.04 0.01 0.00 0.02 0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.03 0.00 0.00 -0.00 0.00 -0.03 0.14 0.06 -0.05 -0.10 -0.00 -0.06 -0.12 -0.04 -0.00 0.00 -0.03 -0.00 0.02 -0.02 0.28 0.14 -0.19 0.10 0.27 -0.09 -0.32 -0.34 -0.07 0.19 -0.14 0.06 -0.33 0.21 0.25 0.13 -0.21 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 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.02 0.07 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.09 0.02 -0.01 0.02 0.08 -0.02 -0.09 -0.09 -0.02 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.04 0.02 -0.02 -0.03 0.00 -0.02 -0.04 -0.01 0.01 0.01 -0.02 0.01 -0.00 0.02 -0.23 -0.33 -0.16 -0.27 -0.23 -0.13 0.49 0.55 0.20 0.06 -0.04 0.03 -0.09 0.08 0.08 0.05 -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 -0.01 -0.00 -0.23 0.01 -0.14 0.03 -0.00 0.02 -0.09 0.02 0.02 0.02 -0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.02 -0.10 0.01 0.00 -0.01 -0.06 0.04 0.07 0.26 -0.06 0.04 0.02 0.01 0.01 0.03 -0.06 -0.02 0.00 -0.02 -0.00 -0.05 0.04 0.02 -0.03 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.00 0.00 -0.18 0.02 0.01 -0.01 -0.00 -0.00 0.29 -0.01 0.15 -0.10 0.12 -0.22 -0.07 -0.32 -0.14 0.37 0.22 -0.26 0.14 -0.05 0.03 -0.03 0.13 -0.05 -0.15 0.03 0.01 0.02 -0.09 -0.04 0.04 0.07 -0.00 0.04 0.09 0.03 -0.01 0.01 -0.01 -0.02 0.01 0.02 0.02 -0.00 -0.01 -0.01 0.01 -0.02 0.01 -0.00 0.00 -0.01 0.02 0.01 0.01 0.01 0.01 0.02 -0.01 -0.01 0.16 0.02 0.10 0.18 -0.03 0.12 0.19 -0.00 0.06 0.00 -0.00 -0.00 0.01 0.04 0.01 -0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.13 -0.00 0.04 0.02 -0.00 -0.06 -0.01 -0.03 -0.00 -0.02 -0.01 -0.00 0.01 -0.08 -0.01 0.04 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 0.00 0.11 0.01 0.01 0.00 -0.00 0.14 -0.05 -0.04 0.01 0.00 0.01 0.04 -0.03 -0.03 0.00 0.00 -0.01 -0.06 0.04 0.02 0.04 -0.05 0.05 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.02 -0.02 0.03 -0.00 0.02 -0.01 -0.13 -0.01 0.00 0.02 -0.01 0.04 0.04 -0.02 -0.03 0.03 0.02 -0.00 -0.03 -0.01 -0.01 0.00 0.01 -0.12 0.50 0.18 -0.21 -0.47 -0.05 -0.25 -0.42 -0.16 0.07 -0.01 -0.05 0.08 -0.05 0.02 -0.06 0.06 0.00 0.03 -0.05 0.07 0.00 0.02 0.01 0.06 -0.04 0.02 -0.09 0.07 0.07 0.05 -0.07 0.01 0.02 0.00 0.01 0.02 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.09 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.03 0.01 -0.07 0.04 0.04 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.04 0.00 0.01 -0.00 -0.00 0.04 -0.02 -0.00 -0.01 0.07 -0.02 -0.07 -0.02 0.02 -0.02 0.02 0.04 0.08 -0.09 -0.04 -0.06 0.08 -0.09 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.06 -0.09 0.10 0.00 -0.00 0.00 0.01 -0.03 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 -0.03 0.11 0.03 -0.05 -0.16 -0.04 -0.08 -0.09 -0.04 0.09 0.06 -0.08 0.03 -0.05 0.18 0.14 -0.07 0.06 0.00 0.06 -0.17 0.01 0.00 -0.02 -0.28 0.21 -0.10 0.49 -0.32 -0.36 -0.18 0.30 -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 0.08 0.08 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.07 -0.01 0.01 -0.04 -0.01 0.01 0.02 0.00 -0.01 0.00 0.00 -0.01 0.04 0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.00 0.01 -0.03 -0.01 -0.01 -0.05 -0.02 0.01 0.00 -0.00 -0.01 0.04 0.02 0.12 0.10 0.04 -0.17 -0.12 -0.05 0.03 0.01 -0.01 -0.07 -0.01 0.00 0.01 -0.03 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.04 0.02 -0.04 -0.01 0.00 -0.00 0.01 0.07 0.00 0.00 -0.01 0.01 -0.02 -0.02 0.01 0.03 -0.04 -0.01 0.04 0.06 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.02 0.04 -0.01 0.01 0.11 0.03 0.17 0.33 -0.45 0.01 -0.04 0.59 0.07 0.17 -0.00 0.02 0.00 0.04 0.06 0.01 0.04 0.03 0.01 0.11 -0.14 0.17 0.15 0.17 -0.14 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.04 -0.03 0.01 -0.02 0.01 0.01 0.04 -0.00 0.02 -0.01 0.00 -0.01 -0.01 0.00 0.02 -0.02 0.02 0.00 -0.01 0.01 -0.00 0.07 -0.10 0.00 -0.02 -0.02 -0.01 -0.32 0.14 0.08 -0.03 0.04 -0.04 0.38 0.21 -0.07 0.06 -0.30 -0.05 0.02 0.01 0.03 -0.06 0.07 0.02 0.04 0.01 -0.05 -0.01 0.00 -0.00 0.04 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.01 -0.00 0.02 -0.01 0.01 -0.05 0.00 -0.02 -0.29 0.19 0.14 0.01 0.20 0.05 -0.13 0.05 0.10 0.28 -0.27 -0.12 -0.08 -0.02 0.02 -0.00 0.01 0.02 -0.02 0.14 0.14 -0.08 0.01 0.08 -0.04 -0.26 -0.06 0.03 -0.04 0.02 0.03 -0.01 -0.03 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.03 0.05 -0.05 -0.05 -0.05 0.04 0.00 -0.03 -0.00 -0.02 -0.03 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.03 -0.00 0.03 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.03 -0.02 0.01 -0.00 -0.00 0.00 0.01 0.03 0.01 -0.00 0.00 -0.02 -0.01 -0.04 0.04 -0.15 -0.00 0.00 0.00 0.03 -0.04 0.15 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.06 -0.02 -0.02 -0.00 -0.01 0.04 -0.00 0.03 -0.02 0.05 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.06 0.12 -0.31 0.07 -0.53 -0.35 -0.13 0.62 0.04 -0.02 -0.01 0.02 -0.02 0.02 -0.03 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.03 -0.04 -0.02 -0.04 -0.01 0.01 -0.04 0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.00 -0.01 0.00 -0.03 0.00 -0.00 0.06 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.03 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.06 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.01 -0.00 0.03 0.02 0.00 0.10 0.11 0.03 0.01 0.00 -0.00 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.10 -0.11 -0.03 0.01 -0.00 0.01 0.02 -0.01 0.07 0.09 0.12 0.02 -0.01 -0.14 0.04 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.04 0.02 0.07 -0.00 -0.00 -0.03 0.01 -0.04 -0.03 -0.01 0.06 0.01 -0.02 -0.05 0.06 0.00 0.01 -0.08 -0.02 -0.03 -0.01 0.10 0.11 0.03 0.03 0.04 0.01 -0.31 0.40 0.34 0.23 0.22 0.07 0.51 -0.15 -0.26 0.03 0.00 0.00 0.03 -0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 0.00 0.02 -0.00 -0.01 -0.08 0.00 0.00 -0.02 0.00 -0.11 0.00 -0.01 0.19 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.03 -0.02 0.11 0.01 0.01 0.01 0.00 0.01 -0.05 0.01 -0.00 -0.19 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 -0.04 -0.05 -0.02 -0.00 0.00 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.04 0.05 0.01 0.05 -0.00 0.06 0.07 0.01 0.20 0.30 0.40 0.06 -0.01 -0.49 0.12 -0.00 0.01 -0.03 0.01 0.03 0.05 0.15 0.06 0.23 0.01 -0.04 -0.04 0.02 -0.01 -0.02 0.01 0.06 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.02 0.00 0.01 -0.00 -0.05 -0.05 -0.01 -0.01 -0.02 -0.00 0.15 -0.19 -0.15 -0.13 -0.08 -0.02 -0.23 0.06 0.12 0.12 0.02 0.01 0.12 -0.03 0.01 -0.12 -0.00 -0.11 -0.00 -0.00 0.00 0.28 -0.12 -0.12 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.09 -0.03 0.01 0.06 -0.06 0.02 -0.01 -0.03 -0.01 0.03 0.02 -0.01 -0.02 -0.04 0.00 0.00 0.02 0.01 0.05 0.02 -0.01 -0.00 0.00 0.00 0.02 0.14 0.05 -0.02 0.00 0.01 -0.04 -0.07 -0.03 -0.02 -0.04 -0.04 -0.23 0.24 0.13 0.06 -0.04 0.00 -0.02 0.03 0.03 -0.01 0.01 -0.02 -0.00 0.00 0.01 0.02 -0.00 0.00 -0.05 0.05 -0.04 -0.01 0.00 -0.01 -0.08 -0.17 -0.01 -0.03 0.01 0.00 -0.02 0.07 0.01 -0.02 0.00 -0.00 -0.07 -0.11 0.00 -0.03 0.00 -0.02 0.06 -0.28 -0.07 0.03 0.01 -0.02 0.04 -0.09 0.00 -0.27 0.12 0.20 -0.29 0.19 -0.21 -0.06 -0.02 0.02 -0.11 0.07 0.12 0.14 -0.16 0.05 0.07 -0.03 0.08 -0.23 0.18 0.18 0.07 -0.12 0.03 -0.01 -0.00 -0.00 -0.03 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.00 0.02 -0.01 -0.05 0.01 0.01 -0.00 -0.07 -0.04 0.01 0.01 0.03 0.00 -0.00 -0.01 -0.00 -0.03 -0.01 0.01 0.00 -0.03 -0.00 -0.02 -0.04 -0.00 0.04 0.01 -0.01 0.03 0.02 -0.00 -0.02 0.00 0.01 -0.00 0.02 -0.01 0.01 -0.01 0.02 0.05 -0.07 0.06 -0.08 0.07 0.03 0.03 0.00 -0.09 -0.01 -0.00 -0.00 -0.00 0.01 -0.03 -0.00 -0.00 -0.00 0.10 0.24 0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.04 -0.03 -0.01 0.12 0.20 -0.00 0.00 -0.00 0.00 -0.03 0.16 0.07 -0.05 -0.04 0.02 -0.05 -0.05 -0.03 0.01 -0.02 0.00 -0.03 0.03 -0.04 0.11 -0.23 0.51 -0.41 0.23 0.44 0.05 -0.03 -0.10 0.05 -0.03 0.02 -0.08 0.06 0.06 0.04 -0.06 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.04 0.05 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.05 -0.01 0.00 0.00 -0.03 -0.02 -0.01 0.00 0.14 0.08 -0.02 -0.02 -0.06 -0.00 0.00 0.01 0.00 0.06 0.02 -0.01 0.00 0.06 0.01 0.04 0.07 0.01 -0.08 -0.03 0.01 -0.06 -0.04 0.00 0.01 0.02 0.02 0.03 -0.05 -0.04 -0.01 0.00 0.01 0.03 -0.05 0.03 -0.05 0.04 0.02 0.02 0.00 -0.06 0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.19 -0.46 -0.02 0.00 0.01 -0.00 0.01 0.02 -0.00 -0.08 0.05 0.02 -0.24 -0.39 0.00 0.00 0.01 -0.00 0.05 -0.28 -0.12 0.08 0.06 -0.04 0.09 0.09 0.05 0.04 0.02 -0.09 0.13 -0.10 0.07 0.08 -0.13 0.31 -0.24 0.13 0.26 0.01 0.01 -0.07 0.03 -0.02 -0.00 -0.02 0.01 0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.17 0.01 -0.04 -0.01 -0.00 -0.03 0.19 -0.04 -0.05 0.02 0.02 -0.00 0.00 0.00 0.00 -0.09 0.15 0.03 -0.03 -0.02 0.00 0.03 -0.02 -0.01 -0.15 -0.02 0.09 0.09 0.14 -0.00 -0.09 -0.05 0.01 -0.02 -0.03 -0.00 0.14 -0.05 -0.04 0.02 0.02 -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 0.08 0.01 -0.02 -0.00 0.00 0.00 0.08 -0.00 0.10 -0.09 -0.28 -0.03 -0.10 -0.07 0.06 -0.07 0.00 -0.01 -0.58 -0.14 0.11 0.12 -0.14 -0.05 0.39 -0.08 -0.03 0.00 0.05 0.02 -0.02 0.00 0.03 -0.02 0.00 -0.01 0.00 -0.01 0.01 -0.03 0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.14 0.04 0.02 0.13 -0.05 0.01 -0.18 -0.00 -0.15 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.06 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.14 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 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.47 0.18 -0.37 0.56 0.16 0.37 -0.03 0.31 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.07 0.00 -0.03 -0.01 -0.00 -0.01 0.11 -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.04 -0.04 -0.02 -0.00 -0.01 -0.00 -0.03 0.04 0.01 -0.11 0.03 0.06 -0.04 -0.10 -0.00 0.09 0.05 -0.01 0.00 0.00 -0.00 -0.10 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.00 -0.01 -0.00 0.00 0.00 0.02 0.00 0.07 0.05 0.23 0.01 -0.12 0.06 0.07 -0.17 0.13 0.07 0.71 0.14 -0.13 -0.20 -0.22 0.01 0.24 -0.06 -0.03 -0.02 0.05 0.01 -0.00 -0.02 -0.01 -0.00 -0.02 -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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.14 0.03 -0.00 0.12 -0.05 -0.02 -0.19 -0.01 -0.14 -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 0.01 -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 -0.01 0.01 -0.01 0.01 -0.03 0.03 -0.01 -0.01 0.04 -0.07 -0.04 0.02 0.05 0.07 -0.07 0.02 -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 0.01 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 0.04 -0.04 0.01 0.03 -0.03 0.02 -0.05 0.16 -0.42 -0.23 0.12 0.28 0.55 -0.54 0.14 -0.00 -0.00 -0.02 0.04 -0.03 -0.03 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 0.01 -0.00 -0.04 -0.01 -0.00 0.02 0.02 -0.00 -0.02 0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.03 -0.16 -0.03 0.02 0.05 0.00 0.00 -0.05 -0.01 -0.02 0.07 0.02 -0.01 -0.03 -0.00 -0.04 -0.03 0.01 0.04 0.06 0.01 -0.01 0.06 0.01 -0.03 -0.02 0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.06 0.07 0.11 -0.01 -0.07 0.08 0.02 -0.10 0.16 0.07 -0.40 -0.08 0.08 0.22 0.62 0.03 0.05 -0.02 -0.02 0.04 -0.16 -0.06 0.04 0.03 -0.02 0.04 0.03 0.02 -0.02 0.02 -0.02 0.06 -0.05 0.02 0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.22 0.04 -0.03 0.18 -0.07 -0.07 -0.29 -0.02 -0.19 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.11 0.01 0.09 -0.00 0.00 -0.04 0.05 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.02 -0.08 -0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.05 0.04 0.02 -0.01 -0.03 -0.00 -0.01 -0.01 0.00 0.02 0.02 0.00 -0.02 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 -0.01 -0.02 0.00 0.00 -0.00 0.10 -0.01 -0.10 0.04 0.08 0.01 -0.11 0.12 0.06 -0.06 0.04 0.04 -0.08 -0.02 0.02 0.08 0.25 0.02 0.05 -0.02 -0.01 0.01 -0.06 -0.02 0.02 0.01 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.01 0.02 -0.02 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.45 -0.07 0.08 -0.39 0.12 0.14 0.54 0.03 0.34 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 0.01 -0.01 -0.02 0.00 0.08 -0.06 0.02 -0.05 0.01 0.01 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.00 0.00 -0.00 0.00 0.01 -0.00 0.03 -0.03 -0.06 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.02 -0.03 -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 0.27 -0.04 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.04 -0.05 -0.12 0.02 -0.13 0.21 0.05 -0.01 -0.07 0.00 0.03 0.01 -0.00 0.01 0.03 0.01 -0.84 0.17 -0.15 -0.01 0.05 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.03 -0.03 0.01 -0.02 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.04 0.05 -0.03 -0.02 -0.04 -0.02 -0.18 0.01 -0.13 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 0.08 -0.08 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.07 -0.12 0.02 -0.03 0.06 -0.09 0.05 0.09 -0.05 0.05 -0.04 -0.06 0.05 0.01 0.02 -0.03 0.01 0.00 -0.00 0.00 0.02 -0.00 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.06 -0.09 0.03 0.01 -0.18 0.60 0.32 -0.14 -0.49 0.21 -0.21 0.06 0.14 -0.10 0.03 -0.01 0.01 -0.01 0.10 -0.14 0.01 0.02 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.02 0.04 0.02 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.07 -0.06 0.02 0.03 0.00 -0.01 0.03 0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.03 -0.00 0.00 0.01 0.00 -0.02 -0.05 -0.01 -0.02 0.01 0.01 0.01 0.01 0.00 -0.13 0.09 -0.03 -0.02 -0.03 0.01 0.10 -0.05 -0.14 -0.00 0.03 -0.07 -0.01 0.00 0.01 0.01 -0.04 0.09 -0.01 0.00 0.00 -0.03 0.01 0.04 -0.00 -0.00 -0.01 -0.10 -0.20 -0.01 0.02 -0.01 0.00 -0.05 0.06 0.02 -0.04 0.01 0.01 0.03 0.13 0.01 0.07 -0.01 0.02 -0.01 0.05 0.03 -0.01 0.01 0.02 -0.01 0.02 -0.00 0.55 -0.45 0.09 -0.27 0.21 -0.02 0.00 -0.08 0.19 -0.05 0.03 0.08 -0.18 0.14 0.05 -0.14 0.12 -0.01 -0.06 0.03 0.06 -0.13 0.14 -0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 0.02 -0.00 -0.00 -0.00 -0.04 -0.04 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.02 -0.03 0.01 -0.05 -0.01 0.01 -0.03 -0.03 0.00 0.01 -0.00 -0.00 0.01 0.02 0.00 -0.01 0.03 0.01 -0.00 -0.01 -0.00 0.04 0.06 0.01 0.03 -0.00 -0.01 -0.01 -0.01 -0.00 -0.04 0.10 -0.04 0.02 0.01 0.03 0.09 -0.06 -0.09 -0.01 0.01 -0.04 0.01 -0.01 -0.01 -0.01 -0.02 0.07 0.01 -0.00 -0.00 -0.02 0.01 0.03 0.00 -0.00 -0.00 0.15 0.31 0.01 -0.02 -0.00 -0.01 0.08 -0.09 -0.03 0.03 -0.01 -0.01 -0.05 -0.19 -0.01 -0.07 0.00 -0.02 0.01 -0.07 -0.03 0.02 -0.00 -0.03 0.02 -0.01 0.01 -0.33 0.24 -0.00 0.51 -0.45 0.10 0.02 -0.04 0.14 -0.09 0.04 0.13 -0.08 0.07 0.06 -0.11 0.10 -0.00 -0.06 0.03 0.05 -0.11 0.11 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.03 -0.01 0.07 -0.07 0.01 -0.08 -0.05 0.02 -0.01 -0.03 -0.00 0.03 -0.01 -0.01 0.01 0.04 0.01 -0.02 0.07 0.01 0.00 -0.02 -0.00 0.06 0.07 0.00 0.04 -0.00 -0.01 -0.02 -0.01 0.00 -0.03 -0.04 0.14 -0.02 0.01 -0.05 -0.07 0.08 -0.06 -0.00 0.01 -0.03 -0.05 0.02 0.06 0.06 -0.04 -0.04 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.28 0.56 0.02 -0.08 0.04 -0.00 0.15 -0.17 -0.05 -0.06 -0.03 0.01 -0.11 -0.35 -0.02 -0.12 0.01 -0.04 0.03 -0.13 -0.05 0.04 0.00 -0.05 0.05 -0.01 0.03 0.20 -0.13 -0.04 -0.22 0.21 -0.05 -0.01 0.01 -0.06 0.10 -0.04 -0.14 -0.15 0.17 -0.10 -0.00 -0.02 -0.04 0.07 -0.05 -0.06 0.03 0.02 -0.03 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.05 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.01 0.02 0.01 0.08 -0.08 0.02 0.06 0.05 -0.02 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.03 -0.01 0.01 -0.05 -0.01 -0.01 0.01 0.00 -0.04 -0.03 0.00 -0.02 -0.00 0.00 0.02 0.00 -0.00 -0.02 -0.00 0.17 -0.01 0.06 -0.04 -0.06 0.09 -0.10 -0.01 0.02 -0.04 -0.05 0.03 0.06 0.07 -0.05 -0.03 0.00 0.00 0.00 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.21 -0.44 -0.01 0.08 -0.04 -0.00 -0.12 0.13 0.04 0.11 0.03 -0.02 0.10 0.27 0.01 0.07 -0.00 0.03 -0.02 0.07 0.03 -0.03 -0.01 0.03 -0.03 -0.00 -0.02 -0.39 0.31 -0.08 0.27 -0.19 0.02 0.00 0.02 -0.05 0.07 -0.03 -0.10 -0.20 0.22 -0.10 -0.04 0.00 -0.06 0.07 -0.05 -0.06 0.01 0.06 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 0.02 0.06 0.01 -0.02 -0.00 -0.00 0.00 0.25 -0.03 -0.07 -0.18 0.26 0.08 -0.08 -0.25 -0.01 0.02 -0.06 -0.03 -0.22 0.33 0.09 0.24 -0.02 -0.06 -0.03 -0.03 0.00 -0.03 -0.25 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.09 0.15 0.01 0.00 0.11 0.06 -0.32 0.37 0.15 -0.22 -0.10 0.02 -0.03 -0.26 -0.04 0.00 -0.00 0.02 -0.01 0.02 0.02 -0.00 0.04 0.03 -0.00 0.04 -0.00 -0.06 0.04 0.00 -0.04 0.03 0.01 0.00 -0.00 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.02 -0.00 0.01 0.05 -0.00 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 0.00 0.03 -0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.03 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.06 -0.13 0.02 -0.50 0.54 0.26 0.36 -0.39 -0.20 0.03 0.00 -0.01 0.03 0.09 0.01 -0.08 0.03 -0.08 -0.01 0.02 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.03 0.02 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.01 0.01 0.05 0.01 0.00 0.04 -0.01 0.04 0.00 0.00 -0.00 0.04 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.05 0.02 0.00 -0.01 0.00 -0.02 -0.09 -0.00 0.21 0.02 -0.04 -0.01 0.04 0.01 0.00 0.03 0.00 -0.02 -0.00 0.00 0.07 0.03 -0.01 -0.16 -0.19 -0.01 -0.06 0.05 0.02 0.06 0.05 -0.00 0.00 0.00 0.01 0.00 0.02 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 0.31 0.01 -0.07 0.05 0.01 -0.02 0.02 0.03 -0.61 -0.07 0.13 -0.23 -0.32 0.01 0.02 -0.01 -0.00 -0.01 0.21 0.10 -0.14 -0.01 0.15 -0.16 0.05 -0.08 -0.18 0.15 -0.01 0.05 -0.04 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 0.02 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.02 -0.01 -0.03 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.04 -0.09 0.11 -0.06 0.01 -0.03 0.07 0.02 -0.02 0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.03 -0.01 0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.03 0.05 0.03 -0.03 0.05 0.01 -0.05 -0.00 0.01 -0.01 -0.02 0.00 0.01 -0.00 0.00 -0.01 0.03 0.01 0.01 0.02 0.02 0.00 0.03 -0.00 0.42 -0.46 0.14 0.51 -0.42 0.15 0.00 0.05 -0.17 0.09 -0.04 -0.15 0.03 -0.01 -0.03 0.07 -0.03 0.07 -0.01 0.02 -0.01 0.01 -0.09 0.04 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.02 0.06 0.00 0.02 -0.11 -0.02 -0.03 0.02 0.01 0.05 -0.12 -0.03 -0.02 -0.02 0.00 -0.01 0.02 0.00 0.03 0.03 -0.00 0.01 0.02 0.00 -0.01 0.06 0.02 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.12 0.02 -0.18 0.42 0.22 -0.33 0.51 0.08 -0.19 -0.00 0.04 -0.04 -0.08 -0.00 0.03 0.01 0.01 0.12 -0.24 -0.09 -0.02 -0.21 -0.20 0.03 -0.28 0.05 -0.01 0.03 -0.01 -0.04 0.03 -0.02 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 0.02 0.00 0.00 0.02 0.00 0.02 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.00 0.01 0.00 -0.02 -0.00 0.01 0.01 -0.00 0.03 -0.05 -0.02 -0.01 -0.00 0.00 -0.03 -0.01 0.00 0.02 0.04 0.01 0.02 0.02 -0.00 0.01 -0.13 -0.04 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.00 -0.11 0.22 0.11 -0.18 0.28 0.06 0.01 -0.01 -0.00 -0.01 -0.07 -0.01 0.02 0.00 0.01 -0.22 0.38 0.11 0.07 0.41 0.35 -0.04 0.52 -0.08 -0.00 0.03 -0.02 -0.03 0.02 -0.03 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.00 0.01 -0.00 -0.03 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.02 -0.00 0.00 -0.00 -0.10 0.07 0.08 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.04 -0.04 0.01 0.03 -0.03 0.01 -0.00 -0.01 0.05 -0.06 0.03 0.09 -0.02 0.01 0.02 0.18 -0.49 -0.31 0.30 -0.15 -0.34 0.57 -0.05 -0.16 0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 0.00 0.04 0.00 -0.01 0.00 -0.00 -0.01 -0.13 -0.14 0.01 -0.02 0.16 0.03 0.13 0.04 -0.02 0.07 0.00 -0.02 -0.02 0.04 0.01 -0.10 -0.10 0.01 -0.07 -0.05 0.01 0.09 0.06 -0.01 0.00 0.04 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.32 -0.04 -0.36 0.14 0.00 -0.28 0.20 0.30 0.47 -0.02 -0.11 -0.03 -0.25 -0.03 0.05 -0.00 0.01 0.05 -0.08 0.02 -0.05 -0.14 -0.10 0.02 -0.15 0.02 -0.09 -0.05 0.06 -0.00 0.05 0.11 0.00 0.01 -0.02 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.02 -0.01 0.02 0.01 -0.00 -0.01 0.01 -0.02 0.01 0.05 0.00 -0.01 0.04 -0.00 -0.01 0.04 0.01 0.04 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 0.01 0.00 -0.04 0.01 0.08 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.16 -0.13 -0.06 -0.07 0.06 -0.00 -0.08 0.11 -0.12 -0.04 0.04 -0.03 0.05 -0.05 0.03 -0.04 0.03 0.02 0.00 0.00 0.00 0.06 -0.06 0.03 -0.01 0.01 -0.00 -0.00 -0.03 -0.00 -0.05 -0.01 -0.02 -0.03 -0.01 0.05 0.03 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 -0.03 0.03 -0.02 0.01 0.30 -0.15 0.01 0.19 -0.22 -0.07 -0.00 -0.12 0.39 -0.10 0.02 0.22 0.09 -0.11 0.07 -0.23 0.09 -0.32 -0.15 0.06 0.23 -0.00 0.32 -0.23 0.01 -0.02 0.03 0.10 0.01 -0.00 0.04 -0.07 0.04 -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 -0.01 -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 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 0.02 0.01 -0.07 0.01 -0.01 -0.02 0.00 0.01 -0.03 -0.00 -0.00 0.02 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.03 0.00 0.06 0.01 0.02 0.03 0.02 -0.05 -0.02 0.00 0.01 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.01 -0.02 -0.01 -0.03 0.01 0.05 -0.05 0.02 -0.02 -0.45 -0.37 0.34 0.00 0.28 0.63 0.02 -0.05 0.12 0.04 -0.03 -0.03 0.08 -0.08 0.03 -0.03 -0.00 -0.05 -0.03 0.02 0.04 0.01 0.05 -0.04 -0.00 -0.01 0.01 0.02 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.02 0.02 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.03 0.03 -0.01 -0.00 -0.04 -0.01 -0.02 0.01 0.01 0.04 0.03 -0.02 -0.00 -0.00 0.00 0.02 0.02 -0.00 0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.05 0.00 -0.01 -0.03 -0.00 0.01 -0.45 -0.28 -0.22 -0.22 -0.30 0.47 -0.10 0.00 0.02 0.00 0.03 0.00 -0.06 0.02 -0.01 -0.01 0.01 -0.01 0.02 0.03 0.01 -0.00 0.02 -0.00 -0.04 -0.01 0.01 -0.01 0.03 0.03 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.26 -0.04 -0.00 0.28 0.02 -0.02 0.24 -0.03 0.26 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.04 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.07 0.01 -0.02 0.02 0.01 -0.00 0.37 0.10 0.10 0.10 0.20 -0.28 0.05 0.00 -0.01 0.00 0.00 -0.00 -0.20 0.04 -0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.02 0.03 -0.02 -0.01 -0.01 -0.04 0.00 0.00 -0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.02 -0.02 0.02 0.03 0.04 0.01 -0.02 0.02 -0.01 0.38 -0.06 0.00 0.44 0.02 -0.04 0.36 -0.08 0.40 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.04 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.30 -0.29 0.20 0.45 0.49 0.18 -0.24 0.36 -0.18 -0.17 -0.01 0.06 0.08 -0.02 -0.04 -0.04 -0.19 -0.04 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 0.02 -0.01 -0.01 -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 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.00 0.01 0.00 0.03 0.01 -0.00 -0.01 -0.01 0.05 -0.00 -0.00 0.00 0.04 -0.04 -0.01 0.02 -0.01 -0.04 -0.02 0.00 0.06 -0.03 0.04 -0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.03 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.14 -0.25 -0.07 -0.29 -0.04 0.27 -0.33 0.11 -0.14 0.07 0.09 -0.09 -0.03 -0.03 -0.13 0.04 -0.06 0.08 0.15 -0.08 -0.16 0.17 -0.16 0.03 -0.01 -0.07 -0.10 -0.00 0.13 0.12 0.01 0.17 -0.12 0.28 0.03 -0.12 -0.25 0.04 0.10 0.01 0.42 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.04 -0.01 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 0.02 -0.02 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.03 0.00 0.01 0.03 0.00 0.01 0.01 0.01 0.00 0.01 -0.01 -0.02 0.00 0.00 0.01 0.03 0.00 -0.00 -0.00 -0.00 -0.18 0.32 0.10 0.36 0.05 -0.34 0.42 -0.13 0.18 -0.04 0.03 -0.00 -0.00 0.01 -0.00 0.02 -0.03 0.03 0.06 -0.03 -0.07 0.07 -0.06 0.01 0.02 -0.06 -0.03 0.04 0.10 0.07 -0.02 0.11 -0.07 0.27 0.03 -0.12 -0.23 0.03 0.09 0.02 0.40 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 0.01 -0.00 -0.00 0.03 -0.03 0.03 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.02 0.01 -0.08 -0.00 0.00 0.00 -0.08 0.06 0.01 -0.04 0.02 0.05 0.04 -0.01 -0.08 0.05 -0.05 0.03 0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.04 0.00 -0.01 -0.01 -0.00 0.02 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.05 -0.09 -0.04 -0.10 -0.01 0.10 -0.13 0.03 -0.05 -0.03 -0.14 0.10 0.04 0.01 0.15 -0.06 0.09 -0.09 -0.22 0.13 0.25 -0.23 0.22 -0.03 0.13 -0.03 0.20 0.19 0.05 -0.06 -0.13 -0.04 0.07 0.35 0.04 -0.15 -0.27 0.04 0.11 0.04 0.49 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 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.02 0.01 0.02 0.00 -0.00 0.00 -0.00 0.10 -0.18 0.69 -0.32 -0.32 0.01 0.39 0.34 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.03 0.02 -0.01 -0.02 -0.01 -0.02 0.02 0.00 -0.01 0.01 0.00 0.01 0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.03 0.02 -0.01 0.01 -0.01 0.01 0.00 -0.05 0.00 0.01 -0.05 0.01 -0.01 0.02 -0.02 0.02 0.01 -0.01 0.00 -0.00 -0.02 0.02 -0.01 -0.00 -0.00 -0.04 -0.00 -0.01 -0.00 0.02 -0.01 -0.01 -0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.02 -0.01 -0.01 0.02 -0.03 0.02 0.02 -0.01 -0.01 -0.02 -0.00 0.03 0.01 -0.02 0.01 -0.02 -0.03 0.02 -0.07 0.16 0.00 -0.02 0.03 0.07 -0.08 0.04 0.12 0.05 0.33 0.20 -0.09 -0.22 -0.15 -0.21 0.22 0.09 -0.32 0.41 0.06 0.31 0.42 -0.12 0.03 -0.14 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 0.02 -0.02 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.03 0.04 -0.03 0.01 -0.01 0.01 -0.01 -0.01 0.06 -0.00 -0.02 0.05 -0.01 0.02 -0.02 0.03 -0.02 -0.01 -0.01 0.00 -0.00 0.02 -0.02 0.01 -0.00 0.00 -0.04 -0.03 -0.05 -0.00 0.02 -0.02 -0.01 -0.01 -0.00 0.00 -0.03 -0.01 0.00 -0.02 -0.06 -0.00 -0.06 0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.00 0.02 -0.01 0.02 0.03 -0.02 0.08 -0.18 -0.01 0.02 -0.03 -0.08 0.09 -0.04 -0.12 -0.06 -0.36 -0.22 0.10 0.24 0.17 0.23 -0.25 0.07 -0.29 0.38 0.06 0.28 0.38 -0.12 0.01 -0.14 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.16 -0.07 -0.05 -0.09 -0.07 0.01 -0.00 0.10 0.01 -0.05 0.03 0.01 -0.14 -0.03 0.03 0.02 -0.07 -0.01 0.03 0.04 0.00 0.09 0.19 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.23 -0.42 -0.00 0.14 -0.06 -0.01 0.11 -0.11 -0.10 -0.33 -0.14 0.05 -0.24 -0.56 -0.02 -0.06 0.02 -0.01 -0.03 0.04 0.05 0.06 0.01 -0.06 0.12 0.01 0.04 0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.02 0.04 0.01 -0.01 -0.00 0.02 -0.03 0.01 0.02 0.01 0.07 0.04 -0.02 -0.05 -0.03 -0.04 0.05 -0.02 0.07 -0.09 -0.01 -0.07 -0.09 0.03 -0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.18 0.04 -0.04 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 0.04 -0.03 0.03 -0.01 -0.01 0.00 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 0.15 -0.01 0.00 0.00 0.00 -0.00 -0.03 0.00 -0.01 0.00 -0.00 0.00 -0.14 0.14 0.10 0.20 -0.09 -0.14 -0.04 -0.01 0.01 -0.02 -0.03 0.00 0.83 -0.19 0.06 -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 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.15 -0.09 0.09 0.16 0.08 0.08 0.06 -0.01 0.09 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 0.09 -0.03 -0.04 0.00 -0.00 -0.00 -0.19 0.13 0.06 -0.25 0.18 0.08 0.06 -0.13 -0.03 0.02 -0.02 -0.01 0.18 -0.27 -0.08 0.32 -0.06 -0.08 -0.07 0.05 0.04 -0.10 0.19 0.05 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.13 0.03 -0.03 -0.07 0.01 -0.01 -0.09 0.07 0.08 -0.55 -0.20 0.09 -0.27 -0.14 0.04 -0.06 0.02 -0.01 -0.03 0.04 0.00 0.07 -0.01 -0.08 0.07 -0.07 0.03 0.02 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.18 -0.18 0.05 -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 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.17 0.16 0.00 0.03 -0.02 0.00 -0.13 0.16 -0.12 0.13 -0.18 0.17 0.18 -0.15 -0.03 -0.30 0.30 -0.09 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.09 0.04 -0.00 -0.04 0.05 0.02 0.12 -0.02 -0.25 0.01 -0.08 0.20 0.41 -0.40 0.08 -0.01 0.03 0.05 0.08 -0.05 -0.06 -0.06 0.00 0.03 -0.02 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.04 0.01 0.08 -0.03 -0.03 0.00 -0.03 -0.02 0.00 0.03 0.04 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.03 0.01 -0.01 0.03 -0.01 -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 0.09 0.01 -0.26 -0.00 -0.01 0.03 0.09 -0.01 -0.24 -0.02 -0.08 0.29 -0.17 0.07 0.26 0.07 -0.01 -0.15 -0.00 0.00 0.01 -0.02 0.01 0.03 0.00 -0.00 -0.00 -0.02 -0.08 -0.01 0.01 0.01 0.01 -0.00 0.02 -0.01 -0.05 -0.00 0.01 0.00 0.03 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.02 -0.01 0.02 -0.00 0.02 -0.11 0.08 0.05 -0.03 0.09 -0.08 0.22 -0.42 0.30 -0.16 -0.34 0.02 0.04 -0.19 -0.01 0.06 0.13 0.11 -0.06 -0.12 -0.11 -0.04 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.10 0.05 0.04 0.00 0.00 -0.01 -0.16 -0.19 0.01 -0.16 -0.13 0.02 0.18 0.28 -0.00 0.01 0.02 -0.00 0.03 0.11 0.01 0.23 0.09 -0.04 0.16 -0.06 -0.06 -0.13 -0.19 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.04 0.01 0.00 -0.01 -0.01 -0.00 0.04 0.00 0.02 -0.05 0.02 -0.01 -0.04 -0.01 -0.00 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.17 -0.55 -0.03 0.04 0.10 0.05 -0.01 0.14 -0.05 -0.36 0.00 0.08 0.04 0.23 0.02 -0.02 0.01 -0.00 0.04 -0.09 -0.04 -0.03 0.05 0.06 -0.04 0.08 -0.01 -0.03 0.02 -0.01 0.01 0.00 -0.01 0.01 -0.04 0.07 -0.05 0.03 0.05 -0.01 0.00 0.03 0.00 -0.01 -0.02 -0.02 0.01 0.02 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -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 -0.35 0.19 0.16 0.00 0.00 -0.00 0.02 0.09 0.00 -0.05 0.18 0.04 -0.03 -0.17 -0.02 0.00 -0.01 -0.00 0.02 -0.10 -0.02 -0.06 -0.09 0.00 0.45 -0.32 -0.22 0.05 0.14 0.01 -0.03 0.05 0.03 -0.00 0.00 0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.11 0.13 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 0.03 0.12 -0.07 -0.03 -0.07 -0.16 -0.00 0.01 -0.00 0.00 0.11 -0.25 -0.10 -0.11 0.14 0.20 -0.16 0.24 -0.04 -0.07 0.02 0.02 0.07 -0.02 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.06 -0.01 0.01 -0.42 -0.04 0.01 -0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.02 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 -0.02 0.73 -0.00 -0.00 -0.00 0.02 -0.00 0.02 0.02 0.03 0.03 0.12 -0.01 0.05 0.13 -0.03 -0.15 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.33 -0.01 -0.13 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 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 -0.12 0.03 0.04 -0.12 -0.02 0.04 -0.16 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.43 -0.36 0.21 -0.19 0.30 -0.35 0.22 0.34 0.47 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 0.03 -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.12 -0.01 -0.45 0.38 -0.45 -0.21 0.02 0.55 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.07 -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 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.22 0.43 0.64 -0.40 -0.40 0.14 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 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.03 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 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 -0.05 -0.42 -0.28 -0.03 0.61 -0.41 -0.31 0.00 0.32 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 0.05 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.30 0.60 -0.54 -0.24 -0.44 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.02 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 0.40 -0.33 0.36 -0.29 0.04 0.71 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.06 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.51 0.42 -0.27 -0.01 -0.02 0.01 0.23 0.37 0.54 -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 -0.06 -0.07 -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 0.15 0.30 0.48 0.55 0.55 -0.22 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.08 -0.34 0.65 0.49 0.23 0.39 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.05 -0.08 -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 -0.02 0.03 -0.03 -0.00 -0.00 0.01 -0.27 -0.21 0.11 0.34 -0.53 0.59 0.12 0.20 0.25 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.02 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 0.06 0.55 0.40 -0.03 0.53 -0.37 0.22 -0.02 -0.23 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.09 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.86 0.40 -0.03 0.09 -0.10 0.11 0.08 -0.01 -0.23 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.08 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 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.05 0.44 0.29 0.01 -0.13 0.07 -0.58 0.00 0.60 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 -0.03 0.03 0.02 0.00 -0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.10 -0.08 -0.04 -0.28 0.39 -0.37 -0.23 -0.05 0.74 0.00 0.00 -0.00 -0.01 0.02 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 0.05 -0.04 0.02 0.00 -0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.11 -0.09 -0.05 0.37 -0.50 0.48 -0.18 -0.03 0.56 -0.00 -0.00 0.00 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.06 -0.01 0.00 -0.00 -0.00 -0.05 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 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.09 0.72 0.12 0.60 -0.25 -0.17 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.06 -0.01 0.00 -0.00 -0.00 0.06 -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 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.08 0.66 0.11 -0.65 0.27 0.19 0.00 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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.05 0.03 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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.74 -0.57 -0.29 -0.02 0.03 -0.02 0.05 0.01 -0.18 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.02 -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 0.89 -0.38 -0.25 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.14 -0.16 0.97 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 361.11932 0.99977 -0.02139 9.3E-4 0.02138 0.99974 0.00734 -0.00109 -0.00732 0.99997 asymmetric 1 0.01509 0.00593 0.00463 0.31435 0.12356 0.09651 937427.6 24.66 36.78 46.43 53.90 57.13 76.79 92.69 93.02 105.50 125.42 171.30 188.84 219.59 224.10 250.27 258.53 277.58 294.71 316.44 339.65 360.77 401.41 438.83 447.43 492.71 522.13 552.15 600.85 625.92 636.45 673.86 694.70 724.86 746.07 751.43 792.70 796.51 808.94 854.60 904.78 924.65 1001.33 1019.75 1042.98 1068.82 1074.14 1111.46 1129.21 1135.11 1194.58 1257.18 1270.85 1306.11 1314.61 1347.04 1359.35 1386.12 1444.86 1449.26 1460.54 1466.12 1479.41 1492.29 1513.53 1518.10 1523.17 1524.45 1566.61 1618.03 1623.23 1666.09 1696.39 1707.94 1711.82 1741.76 1749.59 1789.04 1797.06 1846.13 1849.62 1863.27 1871.26 1893.54 1896.20 1924.79 1972.25 1999.22 2019.21 2032.16 2076.97 2092.71 2101.61 2112.01 2116.51 2124.53 2133.22 2133.96 2137.18 2151.68 2157.35 2160.85 2163.47 2224.36 2307.04 2327.25 2343.66 2349.11 2410.43 2567.38 4359.92 4364.54 4382.56 4389.62 4401.38 4438.24 4440.79 4453.04 4455.88 4474.72 4504.85 4543.48 4545.08 4559.99 4584.42 4585.95 4608.36 4629.60 4635.56 5213.33 0.357047 0.381939 0.382883 0.298831 -1548.074905 -1548.050014 -1548.049070 -1548.133122 239.670 91.231 176.903 0.000 0.000 0.000 0.889 2.981 43.545 0.889 2.981 35.704 237.893 85.269 97.653 1 0.593 1.986 6.941 2 0.593 1.985 6.147 3 0.594 1.983 5.685 4 0.594 1.982 5.389 5 0.594 1.981 5.274 6 0.596 1.976 4.688 7 0.597 1.971 4.317 8 0.597 1.971 4.310 9 0.599 1.967 4.062 10 0.601 1.958 3.723 11 0.609 1.933 3.116 12 0.612 1.922 2.928 13 0.619 1.900 2.639 14 0.620 1.896 2.601 15 0.627 1.875 2.392 16 0.629 1.867 2.332 17 0.635 1.850 2.200 18 0.640 1.833 2.089 19 0.647 1.811 1.960 20 0.655 1.786 1.832 21 0.663 1.762 1.725 22 0.679 1.712 1.540 23 0.696 1.664 1.389 24 0.700 1.653 1.357 25 0.722 1.591 1.201 26 0.737 1.549 1.110 27 0.753 1.505 1.024 28 0.781 1.432 0.900 29 0.796 1.394 0.842 30 0.802 1.378 0.819 31 0.826 1.320 0.742 32 0.839 1.288 0.702 33 0.859 1.242 0.649 34 0.874 1.209 0.613 35 0.877 1.201 0.605 36 0.906 1.138 0.542 37 0.909 1.132 0.537 38 0.918 1.113 0.519 39 0.952 1.045 0.460 0.599573e+27 26.777842 61.658259 0.156812e+12 11.195380 25.778315 0.100000e+01 0.000000 0.000000 0.269730e+09 8.430930 19.412934 0.141753e+08 7.151532 16.467011 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.9042 1.7614 -0.1618 1.9865 -148.3157 -147.9086 -154.3608 -11.7222 7.0047 6.6608 1.8793 2.2864 -4.1658 -11.7222 7.0047 6.6608 53.8852 19.9958 -4.3458 -14.0881 -23.4170 16.6327 6.1710 -4.0839 -7.5307 -19.8143 -10094.8161 -3652.2473 -749.5128 -218.1968 23.9917 -55.1986 18.5926 35.0550 11.2430 -2150.8750 -1832.3104 -769.0940 -7.9746 -16.4756 18.1815 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1548.4319525 3.918E-9 8.399E-6 0.3570473 0.3819386 -1548.0500139 -1548.0490697 -1548.133122 -0.3506961,3.5515375,-3.2008414,8.4157791,-5.9877179,4.080078 C01 [X(C18H20Cl1N3O3)] 0.4172046 -0.65602 0.0801403 -0.8038821 0.3077691 -0.0861112 0.3971437 -0.2672633 0.0452944 -0.1098059 0.0383866 -0.0732137 -2.0064104 -0.2067389 -0.1735166 0.6045484 -0.3801934 0.1321097 -0.1542335 -0.001529 -0.2796396 -1.5953576 -0.3205606 -0.0584024 -0.2601966 -0.3898596 -0.0438203 -0.2581382 -0.0860774 -0.5516111 -0.6750476 -0.1333653 0.0247089 -0.0834868 -0.4303037 0.0313704 0.0627469 0.1246051 -1.0832225 -1.0912985 -0.3338661 0.3307171 -0.0505666 -0.6190027 -0.1170113 0.3576496 0.0579336 -0.4642888 0.8160254 0.0585536 0.1113758 -0.8144283 -0.3938581 -0.1314988 -0.0285313 -0.018779 -0.160994 -0.5450716 -0.1906578 -0.0164884 -0.3051002 -0.5067871 0.0512107 0.0831947 0.0701591 -0.3991967 -0.3967882 0.0063064 -0.0274879 0.0691276 0.143736 0.0053184 -0.086931 -0.0422415 -0.032569 0.1714919 0.0034907 0.0269288 -0.0149817 -0.1330325 -0.0058896 0.0782011 -0.0428415 -0.0279227 -0.0702782 0.1018419 -0.0047046 -0.0374475 -0.1362501 -0.0247016 -0.0131749 0.0151124 -0.0696188 0.5595421 0.3454398 0.004747 0.1186413 0.4036071 0.0924598 0.1614086 0.2087659 0.1684013 1.0160068 -0.4198016 0.1461698 -0.589073 0.266911 -0.0575453 0.1627743 -0.0640844 -0.0209751 -0.0501272 -0.0584473 0.0127242 0.0195148 0.0138751 0.0194764 0.0289725 -0.0007372 -0.1148785 0.332507 -0.1999412 0.040389 -0.2461118 0.6169944 0.0795915 0.0039535 0.1058199 0.0511893 -0.124657 0.1173541 0.0211949 0.2210313 -0.158159 0.032763 0.0090057 0.0268967 -0.0980835 -0.0922999 0.0454029 -0.0311868 0.0588994 -0.1794485 -0.0615165 -0.0228255 -0.054263 0.1138349 0.1115714 0.0845763 0.0010662 0.1658043 0.242803 -0.1265998 -0.3408938 -0.3000653 0.3423002 1.0832299 0.2759073 0.0146177 0.5672462 0.4330633 0.0484813 0.3236568 0.0850678 0.2565933 0.4354838 0.3233716 0.1159256 0.3129415 0.2965895 0.0508361 0.3502007 0.2366622 0.2366148 -0.0960546 0.0263451 -0.0001657 -0.0746773 -0.1794842 0.0618709 0.2723543 0.2581535 -0.3260618 -0.3235434 -0.1265248 -0.0614828 -0.0994026 -0.1796429 -0.0844714 -0.2798346 -0.2539162 -0.1418533 0.1248374 0.2028889 0.0471878 0.2499945 0.1431609 -0.0736971 -0.0180962 -0.0569166 0.197515 2.0945737 0.5783144 -0.1697516 0.3960691 0.5182426 -0.0113448 -0.0555164 -0.1966345 1.4900146 -0.0384185 -0.097214 -0.0603368 -0.062095 0.0339709 -0.0552125 -0.1632425 -0.1404243 0.0491989 0.8115623 0.0843596 -0.1117832 0.0640558 0.3101275 -0.0529378 -0.2627005 -0.0838425 0.273257 0.0445375 -0.0606075 -0.0194854 -0.0326054 0.1172287 -0.0106604 -0.0112152 -0.0205785 0.085989 0.0775413 -0.0347437 -0.0056757 -0.0143281 -0.0310975 0.0046732 -0.0674171 -0.0129007 0.0051075 -0.0470044 -0.0115513 0.0538983 -0.0125258 -0.0111948 -0.0292693 0.0738623 -0.0536321 0.0279832 0.0944394 0.0033942 -0.009396 0.004929 -0.0749381 -0.0188696 -0.007452 -0.0234534 0.1191736 -0.0271581 -0.0435671 -0.0327241 -0.0432064 0.052624 -0.0158469 -0.037672 -0.0166121 0.1250703 0.1162548 -0.0643859 -0.0350976 -0.0480898 0.2945155 0.1042251 -0.0238671 0.056219 0.1843804 -0.0169651 0.1046148 0.0135383 0.049143 0.0646071 -0.00581 -0.0075738 -0.0038575 0.0824906 0.0186961 -0.0734847 0.0685609 -0.0766828 0.009473 0.0065552 0.0692988 0.0408134 0.0071031 0.0604781 -0.0175802 -0.0651082 -0.0325327 0.0426691 0.0203608 -0.0886822 -0.0266359 -0.0579053 0.0124032 -0.0138189 0.0832208 -0.118601 -0.0134324 -0.0663228 0.0057675 -0.0260005 -0.0409189 -0.1115888 0.01157 -0.0249704 -0.0017179 -0.0364043 0.0702465 -0.0078556 0.0344351 0.0594533 0.0543194 -0.0792689 -0.0477034 -0.0739802 0.0458304 -0.0139801 -0.1127157 -0.0325284 0.085402 0.0719442 -0.0701321 0.0292751 -0.0951595 0.0197537 0.0830303 0.0387821 0.0729586 0.0226572 0.0835381 -0.0250382 -0.0629553 -0.0297681 0.0883951 0.0117826 -0.0387697 0.0053928 -0.0556867 -0.0770704 0.0014582 -0.0596861 0.0660358 -0.0016757 0.0300015 -0.057348 0.0156586 0.0663551 0.0362399 -0.0384361 -0.0007784 -0.0800613 -0.0159242 0.0477969 0.0740969 0.1143788 -0.0438773 0.0286016 0.031014 0.0696569 -0.0300906 -0.0140839 -0.0719107 0.040053 -0.0879587 -0.0152768 0.006797 -0.0771869 -0.0060896 -0.0004764 -0.0465718 -0.0408236 0.0651012 -0.0278603 -0.0030671 -0.0152083 0.0242302 0.003819 -0.0233526 -0.056592 0.066084 0.0856 0.1017749 0.0126783 -0.0583921 -0.0412843 -0.0486339 -0.01438 0.0970219 0.0242014 -0.0921877 0.0051767 -0.0019016 341.4129878|19.7008936|254.5302706|17.2056042|-1.8590412|192.5708746 0.000009693 -0.000004814 0.000002293 0.000035915 0.000019013 0.000007246 -0.000010719 -0.000001372 -0.000021133 -0.000001747 -0.000003169 -0.000017936 -0.000009701 -0.000006268 0.000002942 -0.000008048 0.000006723 -0.000002288 -0.000007429 -0.000007295 0.000001762 -0.000000773 -0.000004666 0.000000317 -0.000002131 0.000004567 -0.000000606 0.000004010 -0.000003119 0.000000313 0.000005929 0.000004324 0.000001629 -0.000016857 0.000013618 -0.000001700 -0.000003443 -0.000001280 -0.000001921 -0.000000865 -0.000009073 0.000006621 0.000010410 -0.000007063 0.000001955 0.000000519 0.000004370 -0.000001811 0.000013564 0.000014262 0.000006876 -0.000035426 -0.000035625 -0.000014229 0.000001463 0.000005558 -0.000005786 -0.000002080 -0.000002105 -0.000003088 0.000003490 0.000001263 0.000001757 -0.000003643 -0.000002543 -0.000000822 0.000026662 0.000013574 0.000029724 -0.000002464 0.000000273 0.000000354 -0.000013147 -0.000001426 0.000010020 -0.000001708 0.000001381 -0.000000994 -0.000000050 -0.000001013 0.000000092 -0.000001997 0.000001789 0.000000843 0.000000863 -0.000001239 -0.000000375 -0.000001387 0.000000029 -0.000000201 0.000001703 -0.000004529 0.000000557 0.000000462 -0.000000064 -0.000000965 -0.000001024 0.000000946 0.000000078 -0.000001172 -0.000001033 -0.000001295 0.000005472 0.000004421 0.000003185 0.000004112 0.000002300 0.000002322 -0.000001158 -0.000000592 -0.000000797 -0.000000481 0.000000334 -0.000000807 -0.000000187 0.000000275 -0.000000610 0.000001683 -0.000000052 -0.000000810 -0.000000178 0.000000562 -0.000001015 -0.000000064 -0.000001045 0.000000768 0.000000984 -0.000000988 -0.000000583 0.000000367 0.000000010 -0.000001604 0.000000580 0.000000782 -0.000000278 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2705,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; Gaussian 16 13-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20ClN3O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2706,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/gas/CON #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 pyribencarb CONF72 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 703 A 678 A 678 1077 703 95 95 2318.9971041078 45 45 45 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 -0.0493749336 0.000000 8.058344 0.000000 6.639347 5.526669 0.000000 5.468955 5.967484 2.274878 0.000000 4.519734 6.035508 2.231371 2.293764 0.000000 6.685143 1.396505 4.676112 4.936803 4.805621 0.000000 9.841459 3.657087 4.560314 5.616972 6.298891 4.158418 0.000000 2.747265 5.528135 4.283743 3.487638 2.503486 4.135596 7.118808 0.000000 4.552660 3.613087 5.179926 4.701849 4.263695 2.344489 6.238872 2.448247 0.000000 4.019525 4.139886 3.979166 3.521620 2.864662 2.747998 5.974961 1.388497 1.402453 0.000000 3.082230 6.436040 3.589949 2.839834 1.449513 5.084043 7.305111 1.523579 3.845539 2.539925 0.000000 1.764188 6.313361 5.677454 4.673164 3.800582 4.952265 8.324561 1.401574 2.788905 2.383301 2.550052 0.000000 4.017327 4.765994 6.373411 5.630030 5.118794 3.630247 7.603209 2.814400 1.398900 2.404798 4.337728 2.405310 0.000000 6.038188 2.249198 5.473259 5.308446 5.128674 1.284404 5.359147 3.796727 1.486310 2.503291 5.038920 4.274593 2.518975 0.000000 2.714661 6.010570 6.583573 5.621306 4.935607 4.765200 8.544478 2.436111 2.422474 2.768332 3.834516 1.388585 1.392810 3.794016 0.000000 6.917562 2.710105 6.932384 6.642558 6.598865 2.473677 6.186717 5.030175 2.589510 3.864636 6.386682 5.202448 2.977705 1.505608 4.366265 0.000000 8.976173 2.472071 4.557937 5.240256 5.908829 3.003296 1.336467 6.280532 5.108548 5.040552 6.703633 7.377159 6.432307 4.129899 7.453313 4.885545 0.000000 8.818618 1.426911 5.059509 5.918725 6.062633 2.298328 2.398612 6.138713 4.636700 4.800481 6.761996 7.135820 5.921674 3.469010 7.055765 4.130466 1.515803 0.000000 10.318480 4.777238 4.722287 5.577334 6.649898 5.159933 1.340442 7.670235 7.035252 6.648445 7.691814 8.904067 8.377460 6.281891 9.224624 7.121579 2.307618 3.652522 0.000000 8.553127 2.860480 4.739544 4.785879 5.883422 3.144037 2.400417 5.994677 4.833704 4.822969 6.482091 6.992135 6.052102 3.968225 7.029533 4.624353 1.395310 2.555339 2.747346 0.000000 10.002760 5.050853 4.901088 5.162492 6.653424 5.305462 2.392698 7.487465 6.902979 6.539647 7.535356 8.643159 8.157060 6.244855 8.949382 7.017624 2.726150 4.238996 1.398469 2.400142 0.000000 9.117261 4.250356 4.905450 4.740658 6.273036 4.430896 2.777954 6.664542 5.862989 5.667113 6.931488 7.698011 7.035531 5.191372 7.872179 5.861728 2.388462 3.806429 2.403048 1.390709 1.391454 0.000000 5.443274 5.710169 1.355827 1.212144 1.368145 4.637922 5.389118 3.247301 4.542987 3.234379 2.452197 4.587264 5.570280 5.141723 5.590963 6.590107 5.097454 5.565630 5.541576 4.961952 5.431440 5.136154 0.000000 11.441700 6.072628 5.334354 6.486874 7.460841 6.469052 2.420852 8.805357 8.360571 7.861404 8.646555 10.103549 9.728522 7.649735 10.523776 8.534768 3.662019 4.807275 1.506215 4.252461 2.539322 3.801731 6.353067 0.000000 7.754014 5.562726 1.439278 2.676462 3.553630 4.993870 3.749071 5.348616 5.889008 4.860956 4.789321 6.716261 7.151286 5.916887 7.508614 7.261217 3.993845 4.877690 3.573066 4.109762 3.679872 3.950253 2.360742 4.108504 0.000000 4.884194 3.705955 3.054122 3.021563 2.483305 2.386376 5.018534 2.138488 2.132650 1.080042 2.737945 3.369048 3.374316 2.672831 3.848208 4.161032 4.203784 4.077878 5.683018 4.132125 5.678557 4.949089 2.565397 6.838935 3.878776 0.000000 3.100048 7.010153 3.918710 2.553098 2.066251 5.689684 7.677396 2.144383 4.401361 3.176086 1.092281 2.893980 4.792870 5.597166 4.184592 6.875896 7.085706 7.335257 7.899130 6.679169 7.566418 6.942707 2.611102 8.859672 4.928218 3.385824 0.000000 2.822904 7.243372 4.298687 3.811906 2.070917 5.878350 8.190873 2.153773 4.521049 3.311903 1.091854 2.779937 4.827641 5.784926 4.120521 7.100117 7.630016 7.576554 8.622260 7.500576 8.544484 7.986569 3.303485 9.506204 5.605261 3.595460 1.753527 0.000000 4.848318 4.917321 7.320525 6.598282 6.176927 4.010517 8.072224 3.896514 2.165474 3.398213 5.419790 3.377093 1.082372 2.756728 2.133975 2.628084 6.831809 6.212995 8.898027 6.435381 8.669523 7.482834 6.576018 10.291352 8.017049 4.282570 5.850939 5.887248 0.000000 2.830392 6.916619 7.629621 6.573572 5.895965 5.734147 9.583740 3.410015 3.406318 3.850713 4.691792 2.142239 2.155462 4.671680 1.082475 4.997510 8.461807 8.032302 10.262648 7.993899 9.945973 8.825700 6.594891 11.580846 8.562466 4.930641 4.948069 4.835910 2.461492 0.000000 4.990745 5.932083 2.313372 3.142781 1.008991 4.753852 6.218510 2.937460 4.433971 3.111879 2.123640 4.209469 5.347449 5.186275 5.257729 6.676825 5.903279 5.875264 6.706079 6.107158 6.914297 6.622618 2.025674 7.431110 3.742399 2.635152 2.961885 2.410023 6.370156 6.225358 0.000000 7.939497 2.273531 7.232165 7.110211 7.209489 2.630440 5.750249 5.900481 3.497663 4.639022 7.167493 6.205062 4.048220 2.150288 5.434831 1.086692 4.464250 3.656212 6.717423 4.292204 6.675490 5.568929 7.057195 8.112155 7.387610 4.727156 7.654751 7.929502 3.703969 6.082455 7.245391 0.000000 6.972222 3.403269 7.573427 7.380531 7.045881 3.143130 7.009239 5.321312 2.926738 4.270514 6.743001 5.315540 2.985214 2.144764 4.332377 1.094384 5.752223 4.803447 8.028173 5.635151 8.019866 6.907717 7.222612 9.396282 8.041140 4.692542 7.323554 7.321676 2.404963 4.824845 7.030347 1.769627 0.000000 6.749444 3.532131 7.328759 6.696571 6.884405 3.214971 6.750195 5.120487 2.821321 4.108166 6.513049 5.118669 2.889886 2.146005 4.182867 1.093090 5.418883 4.909084 7.540595 4.882816 7.236663 5.968610 6.826496 9.007105 7.612058 4.540544 6.849864 7.263309 2.410423 4.694197 7.108728 1.777350 1.764028 0.000000 8.590299 2.075354 4.560204 5.766699 5.565195 2.466775 2.630701 5.889883 4.666849 4.626665 6.381679 6.966950 5.990471 3.711250 7.019153 4.607116 2.144976 1.093448 3.923277 3.301533 4.699773 4.446413 5.202109 4.877753 4.570786 3.819910 7.062435 7.099032 6.393441 8.025997 5.221727 4.307799 5.135847 5.469707 0.000000 9.827882 2.007943 6.054300 6.982873 7.130271 3.197210 2.727888 7.177217 5.530384 5.822418 7.838027 8.121936 6.741459 4.239081 7.946070 4.606804 2.142145 1.092694 3.980868 3.208394 4.685707 4.371932 6.633226 4.987295 5.781966 5.144980 8.425141 8.630882 6.906910 8.881643 6.896144 3.918834 5.197348 5.417941 1.773499 0.000000 8.003257 2.513961 5.152724 4.884906 5.900784 2.684789 3.367902 5.559341 4.125698 4.356672 6.267094 6.396002 5.230847 3.215125 6.271460 3.710040 2.154521 2.782936 3.827278 1.080694 3.392077 2.162071 5.128374 5.331542 4.755968 3.878879 6.458996 7.286206 5.520535 7.180493 6.178288 3.440562 4.767182 3.854260 3.599943 3.459458 0.000000 10.593755 6.117827 5.419444 5.527093 7.220620 6.322885 3.365701 8.183767 7.781936 7.345082 8.107656 9.335823 8.997965 7.213356 9.710562 7.982354 3.809214 5.320900 2.157529 3.390210 1.083534 2.157876 5.920156 2.760225 4.078586 6.500588 8.021266 9.116762 9.536969 10.690930 7.553256 7.662294 9.006675 8.122354 5.752805 5.740126 4.303466 0.000000 9.044957 4.909237 5.424032 4.796974 6.578972 4.971915 3.862103 6.786529 6.061549 5.901883 7.072766 7.708709 7.098998 5.516751 7.859642 6.085863 3.380392 4.700858 3.392410 2.152536 2.153767 1.084198 5.423543 4.688438 4.506510 5.323576 6.932278 8.156549 7.521712 8.749550 7.067080 5.868507 7.167405 5.995994 5.382007 5.281305 2.504012 2.495819 0.000000 12.266386 6.283786 6.247820 7.473531 8.338376 6.881336 2.725872 9.582408 8.934472 8.553506 9.516904 10.857827 10.303469 8.082799 11.189484 8.847072 3.990708 4.956131 2.144700 4.730193 3.247740 4.421070 7.293202 1.093402 5.104702 7.542566 9.791410 10.364668 10.789595 12.239666 8.237664 8.310053 9.671913 9.375726 5.072671 4.894866 5.783310 3.509116 5.335738 0.000000 11.880080 6.929726 5.757913 6.694519 7.906691 7.262690 3.345525 9.327464 9.023502 8.467872 9.076555 10.621284 10.363808 8.387544 11.096056 9.272214 4.467110 5.741393 2.164384 4.795080 2.656734 4.041833 6.704242 1.091515 4.405436 7.464402 9.170220 9.956630 10.952412 12.142610 7.976855 8.874829 10.184880 9.651804 5.868039 5.959738 5.865897 2.424285 4.744859 1.775326 0.000000 11.191028 6.247511 4.817363 6.281810 7.001650 6.502657 2.703672 8.568319 8.325815 7.699916 8.284228 9.916135 9.713607 7.724609 10.434107 8.741836 3.974282 4.941040 2.145036 4.724524 3.262223 4.427231 5.976734 1.093480 3.701518 6.637185 8.561282 9.062066 10.347827 11.509023 6.873431 8.403298 9.537617 9.283730 4.766212 5.208778 5.774790 3.532736 5.343316 1.758068 1.776431 0.000000 7.693097 4.806571 2.086243 2.656913 3.876771 4.328640 3.132644 5.193263 5.361795 4.515852 4.917374 6.503165 6.641967 5.236787 7.135346 6.484176 3.162229 4.198765 2.967952 3.071730 2.854939 2.907031 2.637107 3.857691 1.089524 3.554553 5.023936 5.856306 7.428510 8.185888 4.160395 6.549699 7.343155 6.780408 4.113403 5.113801 3.717780 3.394809 3.470051 4.820532 4.191934 3.726702 0.000000 8.030158 6.532900 2.090231 2.691883 3.945854 5.938477 4.567777 5.846465 6.635639 5.546749 5.104733 7.169184 7.820028 6.774325 8.053934 8.100143 4.869308 5.881080 4.115924 4.796879 3.991218 4.357206 2.683257 4.484871 1.091379 4.656162 5.032314 5.897729 8.716819 9.072285 4.294803 8.257973 8.914423 8.349979 5.639060 6.768651 5.439418 4.110427 4.726179 5.551385 4.522636 4.118676 1.780120 0.000000 8.596698 5.686844 2.021044 3.732172 4.249540 5.303354 3.386730 6.120463 6.497911 5.535661 5.586041 7.511272 7.819934 6.368298 8.262443 7.687812 3.949708 4.770175 3.246673 4.389079 3.737757 4.284739 3.238482 3.471463 1.087644 4.489322 5.848025 6.317456 8.647409 9.333674 4.204790 7.708192 8.430522 8.154814 4.346470 5.551606 5.171563 4.159300 5.015238 4.407314 3.881553 2.851068 1.785883 1.792954 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5336,-1.0493,.3933;1.4509,2.799,-.766;.7541,-2.6793,-.9809;-.3295,-2.6101,1.0182;-1.4683,-2.4797,-.9687;.3293,1.9692,-.7047;4.1546,.3398,-.6376;-2.891,-.5735,-.1879;-1.9171,1.6711,-.1036;-1.8118,.2898,-.3219;-2.7354,-2.0752,-.3926;-4.1224,-.0128,.1777;-3.1655,2.1927,.2518;-.7152,2.5377,-.2193;-4.2673,1.3519,.3894;-.7773,3.9712,.237;3.1598,1.1095,-.1859;2.5665,2.038,-1.2269;4.7684,-.4966,.2112;2.717,1.079,1.1369;4.3909,-.5897,1.5545;3.3492,.2081,2.0178;-.3462,-2.5907,-.1937;5.8795,-1.3364,-.3624;2.0098,-2.714,-.2782;-.8439,-.1058,-.5924;-2.8429,-2.5786,.5708;-3.5379,-2.4457,-1.0336;-3.2982,3.2528,.4257;-5.2345,1.752,.6653;-1.3135,-2.3138,-1.9519;.2057,4.4335,.2072;-1.4492,4.5439,-.4097;-1.1721,4.0291,1.2546;2.2892,1.4624,-2.1143;3.3132,2.7813,-1.5165;1.9022,1.7132,1.456;4.8994,-1.2797,2.2173;3.0288,.1464,3.0517;6.6739,-.6946,-.753;6.3077,-2.0084,.3835;5.5081,-1.9319,-1.2009;2.1198,-1.8288,.3473;2.0777,-3.6084,.3436;2.7734,-2.7245,-1.0526; 0.3143516 0.1235642 0.0965081 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= 678 RedAO= T EigKep= 1.56D-06 NBF= 678 NBsUse= 674 1.00D-06 EigRej= 9.23D-07 NBFU= 674 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= 693 693 693 693 693 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1548.43195250022 -1548.43195250019 0.000000000028 -1548.43195250 2 1.542871211393e+03 -8.268528261425e+03 2.858277368358e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323619029 LenY= 11323124117 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. PT592.700S 2022-05-13T19:08:55.000 -101.56094 -19.17707 -19.16421 -19.09856 -14.36700 -14.34487 -14.31262 -10.31950 -10.24667 -10.23088 -10.23045 -10.22402 -10.22327 -10.22173 -10.21951 -10.20503 -10.20264 -10.19708 -10.19611 -10.19459 -10.18686 -10.18494 -10.18376 -10.18317 -10.17256 -9.47558 -7.24002 -7.23053 -7.23010 -1.11122 -1.10315 -1.01961 -0.95651 -0.94254 -0.91054 -0.89585 -0.84577 -0.81176 -0.80150 -0.79113 -0.76092 -0.74540 -0.73051 -0.71761 -0.69420 -0.68962 -0.63554 -0.62592 -0.62080 -0.60301 -0.59232 -0.56548 -0.55451 -0.53472 -0.52155 -0.51517 -0.50647 -0.49531 -0.48899 -0.48516 -0.47256 -0.46739 -0.45936 -0.45368 -0.44975 -0.44635 -0.44533 -0.43635 -0.43257 -0.43144 -0.42309 -0.41786 -0.41221 -0.40381 -0.39850 -0.39318 -0.39014 -0.38319 -0.37634 -0.37284 -0.36857 -0.36798 -0.36223 -0.34669 -0.32502 -0.30640 -0.29395 -0.28895 -0.28841 -0.28719 -0.27470 -0.26705 -0.26623 -0.26026 -0.23692 -0.06155 -0.04039 -0.02796 -0.02274 -0.00553 -0.00029 0.00174 0.00921 0.01448 0.01565 0.01814 0.02613 0.02949 0.03175 0.03391 0.03789 0.03987 0.04612 0.05016 0.05107 0.05243 0.05553 0.06109 0.06619 0.06877 0.07076 0.07403 0.07484 0.07867 0.08102 0.08758 0.09297 0.09392 0.09517 0.10279 0.10517 0.10587 0.10839 0.11607 0.11824 0.11901 0.12223 0.12527 0.12776 0.12840 0.13370 0.13554 0.13994 0.14072 0.14357 0.14971 0.15066 0.15447 0.15770 0.15918 0.16235 0.16443 0.16568 0.16863 0.17189 0.17326 0.17645 0.17980 0.18314 0.18724 0.18786 0.19173 0.19253 0.19680 0.19872 0.20131 0.20319 0.20725 0.20865 0.20981 0.21223 0.21457 0.21769 0.21993 0.22389 0.22429 0.22896 0.23263 0.23435 0.23588 0.23704 0.24009 0.24181 0.24585 0.25130 0.25274 0.25339 0.25564 0.25798 0.26118 0.26221 0.26569 0.26971 0.27287 0.27512 0.28085 0.28151 0.28245 0.28388 0.28994 0.29644 0.29695 0.29796 0.30380 0.30449 0.30626 0.30851 0.30980 0.31278 0.31609 0.31934 0.32378 0.32979 0.33349 0.33623 0.34018 0.34546 0.35182 0.35254 0.35429 0.35862 0.36474 0.36870 0.36957 0.37352 0.37978 0.38779 0.39575 0.39905 0.40514 0.41004 0.41531 0.41834 0.42252 0.42538 0.43257 0.44016 0.44446 0.45229 0.46340 0.46416 0.47238 0.47492 0.48115 0.48776 0.49407 0.50165 0.50713 0.51157 0.51384 0.52137 0.53107 0.53502 0.53634 0.53993 0.54668 0.55580 0.56027 0.56158 0.56916 0.57325 0.57742 0.57897 0.58509 0.59620 0.60085 0.60404 0.60928 0.61593 0.61898 0.62579 0.62763 0.63219 0.63528 0.64205 0.64412 0.64629 0.65101 0.65790 0.66768 0.67014 0.67261 0.67382 0.68034 0.68635 0.68912 0.69195 0.69312 0.69961 0.70405 0.70963 0.71374 0.72082 0.72252 0.72590 0.73130 0.73759 0.74562 0.75072 0.75469 0.75781 0.76387 0.76792 0.77852 0.78670 0.79255 0.80064 0.80900 0.81857 0.82653 0.83864 0.84347 0.84537 0.85032 0.85660 0.86545 0.86694 0.87601 0.87890 0.88460 0.88972 0.89532 0.89784 0.90005 0.91222 0.91433 0.91633 0.92630 0.93534 0.94098 0.94616 0.95159 0.95545 0.96215 0.96395 0.97613 0.98357 0.98771 0.99117 1.00320 1.00630 1.01552 1.02074 1.03323 1.03425 1.04539 1.05109 1.05891 1.06740 1.07663 1.08322 1.09726 1.10590 1.11385 1.12182 1.12544 1.13598 1.14347 1.16001 1.16469 1.17995 1.18601 1.18917 1.20242 1.21656 1.22353 1.23493 1.23965 1.26075 1.26570 1.27935 1.28373 1.28586 1.29862 1.30949 1.31757 1.33011 1.34429 1.34861 1.35538 1.36945 1.37681 1.39037 1.39627 1.40387 1.41713 1.41772 1.42275 1.43289 1.44688 1.45419 1.45993 1.46578 1.47345 1.47784 1.49885 1.50500 1.51432 1.52384 1.52791 1.54478 1.54837 1.55702 1.55758 1.56185 1.56663 1.57182 1.57654 1.58020 1.58574 1.58980 1.59809 1.60564 1.61227 1.61936 1.62400 1.63027 1.64350 1.65084 1.65768 1.66045 1.68572 1.69130 1.69827 1.70849 1.71016 1.71646 1.72163 1.72523 1.73563 1.74454 1.74645 1.75229 1.76894 1.77279 1.77853 1.78224 1.79086 1.80473 1.82301 1.83032 1.83576 1.84262 1.84708 1.85838 1.86712 1.87304 1.87746 1.89142 1.89600 1.90037 1.90872 1.90980 1.91595 1.92313 1.93402 1.94993 1.95482 1.96188 1.97863 1.98711 1.99556 2.00476 2.02528 2.02755 2.03877 2.05123 2.05793 2.06636 2.07540 2.08727 2.10458 2.10992 2.12606 2.12951 2.14351 2.15223 2.16060 2.16596 2.17218 2.18415 2.19051 2.20599 2.21299 2.22253 2.23863 2.24491 2.25955 2.26473 2.26955 2.29629 2.30035 2.32750 2.33478 2.34693 2.38823 2.39399 2.40311 2.41106 2.42637 2.44747 2.45834 2.46909 2.47112 2.47718 2.48250 2.48731 2.50584 2.51027 2.52625 2.53149 2.53798 2.54386 2.54927 2.55225 2.55416 2.56729 2.57060 2.58927 2.59127 2.59890 2.60492 2.61593 2.61931 2.63297 2.63848 2.65558 2.65978 2.66504 2.68164 2.69380 2.70246 2.70695 2.71800 2.73218 2.74314 2.74600 2.75401 2.76312 2.76650 2.76976 2.78789 2.79273 2.80484 2.81353 2.82274 2.82588 2.83563 2.84321 2.85439 2.86333 2.87312 2.88754 2.89288 2.90245 2.91550 2.92006 2.93076 2.93774 2.94633 2.95737 2.96980 2.99453 3.00202 3.00831 3.02659 3.03395 3.04859 3.05177 3.05682 3.06755 3.07279 3.08631 3.10470 3.10943 3.13862 3.16036 3.16459 3.17451 3.20088 3.21441 3.23262 3.24982 3.25979 3.30340 3.33396 3.35659 3.37516 3.38984 3.40396 3.43047 3.44015 3.44198 3.48243 3.51261 3.55237 3.56771 3.58465 3.61129 3.63264 3.65297 3.69995 3.78150 3.78954 3.80141 3.81780 3.82582 3.83062 3.83859 3.84254 3.85763 3.90221 3.90892 3.93694 3.98138 3.98616 3.99429 4.00333 4.03864 4.06247 4.07381 4.09779 4.14224 4.19704 4.21778 4.26715 4.28860 4.35596 4.46261 4.48455 4.51294 4.75408 4.82203 4.84797 4.95424 5.07000 5.10540 5.13723 5.23751 5.26311 5.42892 5.51913 5.71923 5.77862 5.88231 9.79644 23.54331 23.70979 23.84852 23.86937 23.88405 23.88979 23.90715 23.91383 23.93499 23.95089 23.96604 23.97586 24.01123 24.03182 24.07669 24.09513 24.14878 24.16299 25.84962 26.19331 26.66995 35.58919 35.60302 35.69023 49.91715 49.95144 50.04459 215.79181 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.454519 0.232504 -0.113997 -0.278652 -0.294696 -0.372417 0.047824 0.385019 0.442778 -0.377228 -0.655422 0.268036 -0.801878 0.304595 -0.568063 -0.623229 -0.282141 -0.083041 0.090196 0.143011 -0.167100 -0.490864 -0.111007 -0.300429 -0.167183 0.183402 0.213995 0.176315 0.133654 0.144929 0.271154 0.178927 0.166572 0.168625 0.177797 0.177735 0.129405 0.122405 0.132013 0.165318 0.136025 0.156323 0.175602 0.158545 0.150123 -0.00000 0.9042 1.7614 -0.1618 1.9865 -148.3157 -147.9086 -154.3608 -11.7222 7.0047 6.6608 1.8793 2.2864 -4.1658 -11.7222 7.0047 6.6608 53.8852 19.9958 -4.3458 -14.0881 -23.4170 16.6327 6.1710 -4.0839 -7.5307 -19.8143 -10094.8158 -3652.2473 -749.5128 -218.1967 23.9917 -55.1987 18.5926 35.0550 11.2430 -2150.8750 -1832.3104 -769.0940 -7.9746 -16.4757 18.1815 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-ESTREMERA APULGAR 2022-05-13T00:00:00.000 0 Wavefunction pyribencarb CONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1548.4319525 RMSD=4.171e-09 Dipole=0.4172044,-0.6560202,0.0801398 Quadrupole=-0.3506898,3.5515363,-3.2008465,8.4157811,-5.9877148,4.0800777 PG=C01 [X(C18H20Cl1N3O3)] 0 -5.5782170957 0.5531282323 -0.3527332162 0 1.7412454 -2.6173055722 0.7921354231 0 0.5625981658 2.7820726996 0.8318037989 0 -0.5459907982 2.5445386192 -1.1404233488 0 -1.6329902356 2.3862254372 0.8732108481 0 0.5492189713 -1.8928166754 0.7257000791 0 4.2121437054 0.0652217791 0.5219615417 0 -2.8937707051 0.334483178 0.1889394215 0 -1.7252162913 -1.8167180982 0.1619784022 0 -1.739624658 -0.4244432068 0.3300158875 0 -2.8690667661 1.8505322531 0.3382012833 0 -4.0765688452 -0.3459276574 -0.1311235181 0 -2.9282524491 -2.4593541741 -0.1488959309 0 -0.4488749462 -2.5687740816 0.2823219587 0 -4.1029407043 -1.7248737993 -0.2923039685 0 -0.3910423278 -4.0177508563 -0.1226177769 0 3.2820431716 -0.8054305817 0.1182035135 0 2.7925534476 -1.7443191833 1.2028907893 0 4.7336826471 0.9212665645 -0.3679647975 0 2.8147858764 -0.862337682 -1.1953114348 0 4.3254199709 0.9316522781 -1.7054738519 0 3.3509471957 0.0285218195 -2.118876062 0 -0.5393418545 2.5678280414 0.0714788917 0 5.7754611491 1.8763700016 0.1527630716 0 1.7974012595 2.9021805432 0.1021767874 0 -0.8061945668 0.0647956514 0.5663310801 0 -3.038192374 2.3070644034 -0.6395785633 0 -3.6898403822 2.1715797701 0.98272066 0 -2.9689650351 -3.5325971559 -0.2831352712 0 -5.0353683864 -2.2188061446 -0.5338836055 0 -1.4465863893 2.2705496037 1.8580641013 0 0.6296605103 -4.3898201258 -0.0975353997 0 -0.997550746 -4.6238346453 0.5574449035 0 -0.797205082 -4.1473088826 -1.1291430513 0 2.4809267652 -1.1636627315 2.0754473673 0 3.60764698 -2.4075902584 1.502346704 0 2.0542017669 -1.5772681843 -1.4751055903 0 4.7584570319 1.639424979 -2.4023109361 0 3.0078966796 0.024014219 -3.1473610479 0 6.6308251524 1.3220640749 0.5485221722 0 6.1286335821 2.5561039019 -0.6248205907 0 5.3674154698 2.466770454 0.9777624221 0 1.9747340028 2.0079738005 -0.4944887715 0 1.7741995857 3.7758436948 -0.5514924428 0 2.5707474586 3.0083120998 0.8595675232 Gaussian 16 13-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20ClN3O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2706,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/gas/CON #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 pyribencarb CONF72 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 703 A 678 A 678 1077 703 95 95 2318.9971041078 45 45 45 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 -0.0493749336 0.000000 8.058344 0.000000 6.639347 5.526669 0.000000 5.468955 5.967484 2.274878 0.000000 4.519734 6.035508 2.231371 2.293764 0.000000 6.685143 1.396505 4.676112 4.936803 4.805621 0.000000 9.841459 3.657087 4.560314 5.616972 6.298891 4.158418 0.000000 2.747265 5.528135 4.283743 3.487638 2.503486 4.135596 7.118808 0.000000 4.552660 3.613087 5.179926 4.701849 4.263695 2.344489 6.238872 2.448247 0.000000 4.019525 4.139886 3.979166 3.521620 2.864662 2.747998 5.974961 1.388497 1.402453 0.000000 3.082230 6.436040 3.589949 2.839834 1.449513 5.084043 7.305111 1.523579 3.845539 2.539925 0.000000 1.764188 6.313361 5.677454 4.673164 3.800582 4.952265 8.324561 1.401574 2.788905 2.383301 2.550052 0.000000 4.017327 4.765994 6.373411 5.630030 5.118794 3.630247 7.603209 2.814400 1.398900 2.404798 4.337728 2.405310 0.000000 6.038188 2.249198 5.473259 5.308446 5.128674 1.284404 5.359147 3.796727 1.486310 2.503291 5.038920 4.274593 2.518975 0.000000 2.714661 6.010570 6.583573 5.621306 4.935607 4.765200 8.544478 2.436111 2.422474 2.768332 3.834516 1.388585 1.392810 3.794016 0.000000 6.917562 2.710105 6.932384 6.642558 6.598865 2.473677 6.186717 5.030175 2.589510 3.864636 6.386682 5.202448 2.977705 1.505608 4.366265 0.000000 8.976173 2.472071 4.557937 5.240256 5.908829 3.003296 1.336467 6.280532 5.108548 5.040552 6.703633 7.377159 6.432307 4.129899 7.453313 4.885545 0.000000 8.818618 1.426911 5.059509 5.918725 6.062633 2.298328 2.398612 6.138713 4.636700 4.800481 6.761996 7.135820 5.921674 3.469010 7.055765 4.130466 1.515803 0.000000 10.318480 4.777238 4.722287 5.577334 6.649898 5.159933 1.340442 7.670235 7.035252 6.648445 7.691814 8.904067 8.377460 6.281891 9.224624 7.121579 2.307618 3.652522 0.000000 8.553127 2.860480 4.739544 4.785879 5.883422 3.144037 2.400417 5.994677 4.833704 4.822969 6.482091 6.992135 6.052102 3.968225 7.029533 4.624353 1.395310 2.555339 2.747346 0.000000 10.002760 5.050853 4.901088 5.162492 6.653424 5.305462 2.392698 7.487465 6.902979 6.539647 7.535356 8.643159 8.157060 6.244855 8.949382 7.017624 2.726150 4.238996 1.398469 2.400142 0.000000 9.117261 4.250356 4.905450 4.740658 6.273036 4.430896 2.777954 6.664542 5.862989 5.667113 6.931488 7.698011 7.035531 5.191372 7.872179 5.861728 2.388462 3.806429 2.403048 1.390709 1.391454 0.000000 5.443274 5.710169 1.355827 1.212144 1.368145 4.637922 5.389118 3.247301 4.542987 3.234379 2.452197 4.587264 5.570280 5.141723 5.590963 6.590107 5.097454 5.565630 5.541576 4.961952 5.431440 5.136154 0.000000 11.441700 6.072628 5.334354 6.486874 7.460841 6.469052 2.420852 8.805357 8.360571 7.861404 8.646555 10.103549 9.728522 7.649735 10.523776 8.534768 3.662019 4.807275 1.506215 4.252461 2.539322 3.801731 6.353067 0.000000 7.754014 5.562726 1.439278 2.676462 3.553630 4.993870 3.749071 5.348616 5.889008 4.860956 4.789321 6.716261 7.151286 5.916887 7.508614 7.261217 3.993845 4.877690 3.573066 4.109762 3.679872 3.950253 2.360742 4.108504 0.000000 4.884194 3.705955 3.054122 3.021563 2.483305 2.386376 5.018534 2.138488 2.132650 1.080042 2.737945 3.369048 3.374316 2.672831 3.848208 4.161032 4.203784 4.077878 5.683018 4.132125 5.678557 4.949089 2.565397 6.838935 3.878776 0.000000 3.100048 7.010153 3.918710 2.553098 2.066251 5.689684 7.677396 2.144383 4.401361 3.176086 1.092281 2.893980 4.792870 5.597166 4.184592 6.875896 7.085706 7.335257 7.899130 6.679169 7.566418 6.942707 2.611102 8.859672 4.928218 3.385824 0.000000 2.822904 7.243372 4.298687 3.811906 2.070917 5.878350 8.190873 2.153773 4.521049 3.311903 1.091854 2.779937 4.827641 5.784926 4.120521 7.100117 7.630016 7.576554 8.622260 7.500576 8.544484 7.986569 3.303485 9.506204 5.605261 3.595460 1.753527 0.000000 4.848318 4.917321 7.320525 6.598282 6.176927 4.010517 8.072224 3.896514 2.165474 3.398213 5.419790 3.377093 1.082372 2.756728 2.133975 2.628084 6.831809 6.212995 8.898027 6.435381 8.669523 7.482834 6.576018 10.291352 8.017049 4.282570 5.850939 5.887248 0.000000 2.830392 6.916619 7.629621 6.573572 5.895965 5.734147 9.583740 3.410015 3.406318 3.850713 4.691792 2.142239 2.155462 4.671680 1.082475 4.997510 8.461807 8.032302 10.262648 7.993899 9.945973 8.825700 6.594891 11.580846 8.562466 4.930641 4.948069 4.835910 2.461492 0.000000 4.990745 5.932083 2.313372 3.142781 1.008991 4.753852 6.218510 2.937460 4.433971 3.111879 2.123640 4.209469 5.347449 5.186275 5.257729 6.676825 5.903279 5.875264 6.706079 6.107158 6.914297 6.622618 2.025674 7.431110 3.742399 2.635152 2.961885 2.410023 6.370156 6.225358 0.000000 7.939497 2.273531 7.232165 7.110211 7.209489 2.630440 5.750249 5.900481 3.497663 4.639022 7.167493 6.205062 4.048220 2.150288 5.434831 1.086692 4.464250 3.656212 6.717423 4.292204 6.675490 5.568929 7.057195 8.112155 7.387610 4.727156 7.654751 7.929502 3.703969 6.082455 7.245391 0.000000 6.972222 3.403269 7.573427 7.380531 7.045881 3.143130 7.009239 5.321312 2.926738 4.270514 6.743001 5.315540 2.985214 2.144764 4.332377 1.094384 5.752223 4.803447 8.028173 5.635151 8.019866 6.907717 7.222612 9.396282 8.041140 4.692542 7.323554 7.321676 2.404963 4.824845 7.030347 1.769627 0.000000 6.749444 3.532131 7.328759 6.696571 6.884405 3.214971 6.750195 5.120487 2.821321 4.108166 6.513049 5.118669 2.889886 2.146005 4.182867 1.093090 5.418883 4.909084 7.540595 4.882816 7.236663 5.968610 6.826496 9.007105 7.612058 4.540544 6.849864 7.263309 2.410423 4.694197 7.108728 1.777350 1.764028 0.000000 8.590299 2.075354 4.560204 5.766699 5.565195 2.466775 2.630701 5.889883 4.666849 4.626665 6.381679 6.966950 5.990471 3.711250 7.019153 4.607116 2.144976 1.093448 3.923277 3.301533 4.699773 4.446413 5.202109 4.877753 4.570786 3.819910 7.062435 7.099032 6.393441 8.025997 5.221727 4.307799 5.135847 5.469707 0.000000 9.827882 2.007943 6.054300 6.982873 7.130271 3.197210 2.727888 7.177217 5.530384 5.822418 7.838027 8.121936 6.741459 4.239081 7.946070 4.606804 2.142145 1.092694 3.980868 3.208394 4.685707 4.371932 6.633226 4.987295 5.781966 5.144980 8.425141 8.630882 6.906910 8.881643 6.896144 3.918834 5.197348 5.417941 1.773499 0.000000 8.003257 2.513961 5.152724 4.884906 5.900784 2.684789 3.367902 5.559341 4.125698 4.356672 6.267094 6.396002 5.230847 3.215125 6.271460 3.710040 2.154521 2.782936 3.827278 1.080694 3.392077 2.162071 5.128374 5.331542 4.755968 3.878879 6.458996 7.286206 5.520535 7.180493 6.178288 3.440562 4.767182 3.854260 3.599943 3.459458 0.000000 10.593755 6.117827 5.419444 5.527093 7.220620 6.322885 3.365701 8.183767 7.781936 7.345082 8.107656 9.335823 8.997965 7.213356 9.710562 7.982354 3.809214 5.320900 2.157529 3.390210 1.083534 2.157876 5.920156 2.760225 4.078586 6.500588 8.021266 9.116762 9.536969 10.690930 7.553256 7.662294 9.006675 8.122354 5.752805 5.740126 4.303466 0.000000 9.044957 4.909237 5.424032 4.796974 6.578972 4.971915 3.862103 6.786529 6.061549 5.901883 7.072766 7.708709 7.098998 5.516751 7.859642 6.085863 3.380392 4.700858 3.392410 2.152536 2.153767 1.084198 5.423543 4.688438 4.506510 5.323576 6.932278 8.156549 7.521712 8.749550 7.067080 5.868507 7.167405 5.995994 5.382007 5.281305 2.504012 2.495819 0.000000 12.266386 6.283786 6.247820 7.473531 8.338376 6.881336 2.725872 9.582408 8.934472 8.553506 9.516904 10.857827 10.303469 8.082799 11.189484 8.847072 3.990708 4.956131 2.144700 4.730193 3.247740 4.421070 7.293202 1.093402 5.104702 7.542566 9.791410 10.364668 10.789595 12.239666 8.237664 8.310053 9.671913 9.375726 5.072671 4.894866 5.783310 3.509116 5.335738 0.000000 11.880080 6.929726 5.757913 6.694519 7.906691 7.262690 3.345525 9.327464 9.023502 8.467872 9.076555 10.621284 10.363808 8.387544 11.096056 9.272214 4.467110 5.741393 2.164384 4.795080 2.656734 4.041833 6.704242 1.091515 4.405436 7.464402 9.170220 9.956630 10.952412 12.142610 7.976855 8.874829 10.184880 9.651804 5.868039 5.959738 5.865897 2.424285 4.744859 1.775326 0.000000 11.191028 6.247511 4.817363 6.281810 7.001650 6.502657 2.703672 8.568319 8.325815 7.699916 8.284228 9.916135 9.713607 7.724609 10.434107 8.741836 3.974282 4.941040 2.145036 4.724524 3.262223 4.427231 5.976734 1.093480 3.701518 6.637185 8.561282 9.062066 10.347827 11.509023 6.873431 8.403298 9.537617 9.283730 4.766212 5.208778 5.774790 3.532736 5.343316 1.758068 1.776431 0.000000 7.693097 4.806571 2.086243 2.656913 3.876771 4.328640 3.132644 5.193263 5.361795 4.515852 4.917374 6.503165 6.641967 5.236787 7.135346 6.484176 3.162229 4.198765 2.967952 3.071730 2.854939 2.907031 2.637107 3.857691 1.089524 3.554553 5.023936 5.856306 7.428510 8.185888 4.160395 6.549699 7.343155 6.780408 4.113403 5.113801 3.717780 3.394809 3.470051 4.820532 4.191934 3.726702 0.000000 8.030158 6.532900 2.090231 2.691883 3.945854 5.938477 4.567777 5.846465 6.635639 5.546749 5.104733 7.169184 7.820028 6.774325 8.053934 8.100143 4.869308 5.881080 4.115924 4.796879 3.991218 4.357206 2.683257 4.484871 1.091379 4.656162 5.032314 5.897729 8.716819 9.072285 4.294803 8.257973 8.914423 8.349979 5.639060 6.768651 5.439418 4.110427 4.726179 5.551385 4.522636 4.118676 1.780120 0.000000 8.596698 5.686844 2.021044 3.732172 4.249540 5.303354 3.386730 6.120463 6.497911 5.535661 5.586041 7.511272 7.819934 6.368298 8.262443 7.687812 3.949708 4.770175 3.246673 4.389079 3.737757 4.284739 3.238482 3.471463 1.087644 4.489322 5.848025 6.317456 8.647409 9.333674 4.204790 7.708192 8.430522 8.154814 4.346470 5.551606 5.171563 4.159300 5.015238 4.407314 3.881553 2.851068 1.785883 1.792954 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5336,-1.0493,.3933;1.4509,2.799,-.766;.7541,-2.6793,-.9809;-.3295,-2.6101,1.0182;-1.4683,-2.4797,-.9687;.3293,1.9692,-.7047;4.1546,.3398,-.6376;-2.891,-.5735,-.1879;-1.9171,1.6711,-.1036;-1.8118,.2898,-.3219;-2.7354,-2.0752,-.3926;-4.1224,-.0128,.1777;-3.1655,2.1927,.2518;-.7152,2.5377,-.2193;-4.2673,1.3519,.3894;-.7773,3.9712,.237;3.1598,1.1095,-.1859;2.5665,2.038,-1.2269;4.7684,-.4966,.2112;2.717,1.079,1.1369;4.3909,-.5897,1.5545;3.3492,.2081,2.0178;-.3462,-2.5907,-.1937;5.8795,-1.3364,-.3624;2.0098,-2.714,-.2782;-.8439,-.1058,-.5924;-2.8429,-2.5786,.5708;-3.5379,-2.4457,-1.0336;-3.2982,3.2528,.4257;-5.2345,1.752,.6653;-1.3135,-2.3138,-1.9519;.2057,4.4335,.2072;-1.4492,4.5439,-.4097;-1.1721,4.0291,1.2546;2.2892,1.4624,-2.1143;3.3132,2.7813,-1.5165;1.9022,1.7132,1.456;4.8994,-1.2797,2.2173;3.0288,.1464,3.0517;6.6739,-.6946,-.753;6.3077,-2.0084,.3835;5.5081,-1.9319,-1.2009;2.1198,-1.8288,.3473;2.0777,-3.6084,.3436;2.7734,-2.7245,-1.0526; 0.3143516 0.1235642 0.0965081 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= 678 RedAO= T EigKep= 1.56D-06 NBF= 678 NBsUse= 674 1.00D-06 EigRej= 9.23D-07 NBFU= 674 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= 693 693 693 693 693 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1548.43195250021 -1548.43195250028 -0.000000000070 -1548.43195250 2 1.542871211393e+03 -8.268528261425e+03 2.858277368358e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323619029 LenY= 11323124117 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 4.4010 281.72 0.3710 0.000 95 96 0.67475 95 97 -0.13646 -1548.27021726 2 Singlet-A 4.6655 265.75 0.0003 0.000 91 96 0.17852 92 96 0.11217 93 96 0.46507 95 97 -0.13702 95 98 -0.44585 3 Singlet-A 4.7468 261.20 0.0814 0.000 92 96 0.25884 92 97 -0.36447 93 97 0.15308 94 96 -0.11127 95 96 0.14555 95 97 0.47510 4 Singlet-A 4.8042 258.07 0.0172 0.000 88 96 0.22446 90 96 0.14450 92 96 0.12743 94 96 0.61919 5 Singlet-A 4.8754 254.30 0.0047 0.000 92 96 -0.33866 92 97 0.31590 93 96 0.15822 94 96 0.12891 95 97 0.46502 6 Singlet-A 5.0455 245.73 0.0222 0.000 91 96 0.55659 92 96 -0.15907 93 96 -0.34786 95 98 -0.17778 7 Singlet-A 5.0766 244.23 0.0027 0.000 88 96 0.47636 90 96 0.27586 92 96 0.20343 92 97 0.23224 94 96 -0.25394 8 Singlet-A 5.1773 239.48 0.0004 0.000 92 99 -0.34682 93 99 0.13511 95 99 0.57445 9 Singlet-A 5.2095 238.00 0.0120 0.000 88 96 -0.20546 90 96 -0.18395 92 96 0.44330 92 97 0.34200 93 96 -0.18172 93 97 -0.11198 94 97 -0.15252 10 Singlet-A 5.2747 235.06 0.0542 0.000 87 99 -0.23357 88 96 -0.10138 94 97 0.61678 PT22202.600S 2022-05-13T19:55:14.000 -101.56094 -19.17707 -19.16421 -19.09856 -14.36700 -14.34487 -14.31262 -10.31950 -10.24667 -10.23088 -10.23045 -10.22402 -10.22327 -10.22173 -10.21951 -10.20503 -10.20264 -10.19708 -10.19611 -10.19459 -10.18686 -10.18494 -10.18376 -10.18317 -10.17256 -9.47558 -7.24002 -7.23053 -7.23010 -1.11122 -1.10315 -1.01961 -0.95651 -0.94254 -0.91054 -0.89585 -0.84577 -0.81176 -0.80150 -0.79113 -0.76092 -0.74540 -0.73051 -0.71761 -0.69420 -0.68962 -0.63554 -0.62592 -0.62080 -0.60301 -0.59232 -0.56548 -0.55451 -0.53472 -0.52155 -0.51517 -0.50647 -0.49531 -0.48899 -0.48516 -0.47256 -0.46739 -0.45936 -0.45368 -0.44975 -0.44635 -0.44533 -0.43635 -0.43257 -0.43144 -0.42309 -0.41786 -0.41221 -0.40381 -0.39850 -0.39318 -0.39014 -0.38319 -0.37634 -0.37284 -0.36857 -0.36798 -0.36223 -0.34669 -0.32502 -0.30640 -0.29395 -0.28895 -0.28841 -0.28719 -0.27470 -0.26705 -0.26623 -0.26026 -0.23692 -0.06155 -0.04039 -0.02796 -0.02274 -0.00553 -0.00029 0.00174 0.00921 0.01448 0.01565 0.01814 0.02613 0.02949 0.03175 0.03391 0.03789 0.03987 0.04612 0.05016 0.05107 0.05243 0.05553 0.06109 0.06619 0.06877 0.07076 0.07403 0.07484 0.07867 0.08102 0.08758 0.09297 0.09392 0.09517 0.10279 0.10517 0.10587 0.10839 0.11607 0.11824 0.11901 0.12223 0.12527 0.12776 0.12840 0.13370 0.13554 0.13994 0.14072 0.14357 0.14971 0.15066 0.15447 0.15770 0.15918 0.16235 0.16443 0.16568 0.16863 0.17189 0.17326 0.17645 0.17980 0.18314 0.18724 0.18786 0.19173 0.19253 0.19680 0.19872 0.20131 0.20319 0.20725 0.20865 0.20981 0.21223 0.21457 0.21769 0.21993 0.22389 0.22429 0.22896 0.23263 0.23435 0.23588 0.23704 0.24009 0.24181 0.24585 0.25130 0.25274 0.25339 0.25564 0.25798 0.26118 0.26221 0.26569 0.26971 0.27287 0.27512 0.28085 0.28151 0.28245 0.28388 0.28994 0.29644 0.29695 0.29796 0.30380 0.30449 0.30626 0.30851 0.30980 0.31278 0.31609 0.31934 0.32378 0.32979 0.33349 0.33623 0.34018 0.34546 0.35182 0.35254 0.35429 0.35862 0.36474 0.36870 0.36957 0.37352 0.37978 0.38779 0.39575 0.39905 0.40514 0.41004 0.41531 0.41834 0.42252 0.42538 0.43257 0.44016 0.44446 0.45229 0.46340 0.46416 0.47238 0.47492 0.48115 0.48776 0.49407 0.50165 0.50713 0.51157 0.51384 0.52137 0.53107 0.53502 0.53634 0.53993 0.54668 0.55580 0.56027 0.56158 0.56916 0.57325 0.57742 0.57897 0.58509 0.59620 0.60085 0.60404 0.60928 0.61593 0.61898 0.62579 0.62763 0.63219 0.63528 0.64205 0.64412 0.64629 0.65101 0.65790 0.66768 0.67014 0.67261 0.67382 0.68034 0.68635 0.68912 0.69195 0.69312 0.69961 0.70405 0.70963 0.71374 0.72082 0.72252 0.72590 0.73130 0.73759 0.74562 0.75072 0.75469 0.75781 0.76387 0.76792 0.77852 0.78670 0.79255 0.80064 0.80900 0.81857 0.82653 0.83864 0.84347 0.84537 0.85032 0.85660 0.86545 0.86694 0.87601 0.87890 0.88460 0.88972 0.89532 0.89784 0.90005 0.91222 0.91433 0.91633 0.92630 0.93534 0.94098 0.94616 0.95159 0.95545 0.96215 0.96395 0.97613 0.98357 0.98771 0.99117 1.00320 1.00630 1.01552 1.02074 1.03323 1.03425 1.04539 1.05109 1.05891 1.06740 1.07663 1.08322 1.09726 1.10590 1.11385 1.12182 1.12544 1.13598 1.14347 1.16001 1.16469 1.17995 1.18601 1.18917 1.20242 1.21656 1.22353 1.23493 1.23965 1.26075 1.26570 1.27935 1.28373 1.28586 1.29862 1.30949 1.31757 1.33011 1.34429 1.34861 1.35538 1.36945 1.37681 1.39037 1.39627 1.40387 1.41713 1.41772 1.42275 1.43289 1.44688 1.45419 1.45993 1.46578 1.47345 1.47784 1.49885 1.50500 1.51432 1.52384 1.52791 1.54478 1.54837 1.55702 1.55758 1.56185 1.56663 1.57182 1.57654 1.58020 1.58574 1.58980 1.59809 1.60564 1.61227 1.61936 1.62400 1.63027 1.64350 1.65084 1.65768 1.66045 1.68572 1.69130 1.69827 1.70849 1.71016 1.71646 1.72163 1.72523 1.73563 1.74454 1.74645 1.75229 1.76894 1.77279 1.77853 1.78224 1.79086 1.80473 1.82301 1.83032 1.83576 1.84262 1.84708 1.85838 1.86712 1.87304 1.87746 1.89142 1.89600 1.90037 1.90872 1.90980 1.91595 1.92313 1.93402 1.94993 1.95482 1.96188 1.97863 1.98711 1.99556 2.00476 2.02528 2.02755 2.03877 2.05123 2.05793 2.06636 2.07540 2.08727 2.10458 2.10992 2.12606 2.12951 2.14351 2.15223 2.16060 2.16596 2.17218 2.18415 2.19051 2.20599 2.21299 2.22253 2.23863 2.24491 2.25955 2.26473 2.26955 2.29629 2.30035 2.32750 2.33478 2.34693 2.38823 2.39399 2.40311 2.41106 2.42637 2.44747 2.45834 2.46909 2.47112 2.47718 2.48250 2.48731 2.50584 2.51027 2.52625 2.53149 2.53798 2.54386 2.54927 2.55225 2.55416 2.56729 2.57060 2.58927 2.59127 2.59890 2.60492 2.61593 2.61931 2.63297 2.63848 2.65558 2.65978 2.66504 2.68164 2.69380 2.70246 2.70695 2.71800 2.73218 2.74314 2.74600 2.75401 2.76312 2.76650 2.76976 2.78789 2.79273 2.80484 2.81353 2.82274 2.82588 2.83563 2.84321 2.85439 2.86333 2.87312 2.88754 2.89288 2.90245 2.91550 2.92006 2.93076 2.93774 2.94633 2.95737 2.96980 2.99453 3.00202 3.00831 3.02659 3.03395 3.04859 3.05177 3.05682 3.06755 3.07279 3.08631 3.10470 3.10943 3.13862 3.16036 3.16459 3.17451 3.20088 3.21441 3.23262 3.24982 3.25979 3.30340 3.33396 3.35659 3.37516 3.38984 3.40396 3.43047 3.44015 3.44198 3.48243 3.51261 3.55237 3.56771 3.58465 3.61129 3.63264 3.65297 3.69995 3.78150 3.78954 3.80141 3.81780 3.82582 3.83062 3.83859 3.84254 3.85763 3.90221 3.90892 3.93694 3.98138 3.98616 3.99429 4.00333 4.03864 4.06247 4.07381 4.09779 4.14224 4.19704 4.21778 4.26715 4.28860 4.35596 4.46261 4.48455 4.51294 4.75408 4.82203 4.84797 4.95424 5.07000 5.10540 5.13723 5.23751 5.26311 5.42892 5.51913 5.71923 5.77862 5.88231 9.79644 23.54331 23.70979 23.84852 23.86937 23.88405 23.88979 23.90715 23.91383 23.93499 23.95089 23.96604 23.97586 24.01123 24.03182 24.07669 24.09513 24.14878 24.16299 25.84962 26.19331 26.66995 35.58919 35.60302 35.69023 49.91715 49.95144 50.04459 215.79181 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 0.454519 0.232504 -0.113997 -0.278652 -0.294696 -0.372417 0.047824 0.385019 0.442778 -0.377228 -0.655422 0.268036 -0.801878 0.304595 -0.568063 -0.623229 -0.282141 -0.083041 0.090196 0.143011 -0.167100 -0.490864 -0.111007 -0.300429 -0.167183 0.183402 0.213995 0.176315 0.133654 0.144929 0.271154 0.178927 0.166572 0.168625 0.177797 0.177735 0.129405 0.122405 0.132013 0.165318 0.136025 0.156323 0.175602 0.158545 0.150123 -0.00000 0.9042 1.7614 -0.1618 1.9865 -148.3157 -147.9086 -154.3608 -11.7222 7.0047 6.6608 1.8793 2.2864 -4.1658 -11.7222 7.0047 6.6608 53.8852 19.9958 -4.3458 -14.0881 -23.4170 16.6327 6.1710 -4.0839 -7.5307 -19.8143 -10094.8158 -3652.2473 -749.5128 -218.1967 23.9917 -55.1987 18.5926 35.0550 11.2430 -2150.8750 -1832.3104 -769.0940 -7.9746 -16.4757 18.1815 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-ESTREMERA APULGAR 2022-05-13T00:00:00.000 0 Electronic spectrum pyribencarbCONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1548.4319525 RMSD=4.183e-09 PG=C01 [X(C18H20Cl1N3O3)] 0 -5.5782170957 0.5531282323 -0.3527332162 0 1.7412454 -2.6173055722 0.7921354231 0 0.5625981658 2.7820726996 0.8318037989 0 -0.5459907982 2.5445386192 -1.1404233488 0 -1.6329902356 2.3862254372 0.8732108481 0 0.5492189713 -1.8928166754 0.7257000791 0 4.2121437054 0.0652217791 0.5219615417 0 -2.8937707051 0.334483178 0.1889394215 0 -1.7252162913 -1.8167180982 0.1619784022 0 -1.739624658 -0.4244432068 0.3300158875 0 -2.8690667661 1.8505322531 0.3382012833 0 -4.0765688452 -0.3459276574 -0.1311235181 0 -2.9282524491 -2.4593541741 -0.1488959309 0 -0.4488749462 -2.5687740816 0.2823219587 0 -4.1029407043 -1.7248737993 -0.2923039685 0 -0.3910423278 -4.0177508563 -0.1226177769 0 3.2820431716 -0.8054305817 0.1182035135 0 2.7925534476 -1.7443191833 1.2028907893 0 4.7336826471 0.9212665645 -0.3679647975 0 2.8147858764 -0.862337682 -1.1953114348 0 4.3254199709 0.9316522781 -1.7054738519 0 3.3509471957 0.0285218195 -2.118876062 0 -0.5393418545 2.5678280414 0.0714788917 0 5.7754611491 1.8763700016 0.1527630716 0 1.7974012595 2.9021805432 0.1021767874 0 -0.8061945668 0.0647956514 0.5663310801 0 -3.038192374 2.3070644034 -0.6395785633 0 -3.6898403822 2.1715797701 0.98272066 0 -2.9689650351 -3.5325971559 -0.2831352712 0 -5.0353683864 -2.2188061446 -0.5338836055 0 -1.4465863893 2.2705496037 1.8580641013 0 0.6296605103 -4.3898201258 -0.0975353997 0 -0.997550746 -4.6238346453 0.5574449035 0 -0.797205082 -4.1473088826 -1.1291430513 0 2.4809267652 -1.1636627315 2.0754473673 0 3.60764698 -2.4075902584 1.502346704 0 2.0542017669 -1.5772681843 -1.4751055903 0 4.7584570319 1.639424979 -2.4023109361 0 3.0078966796 0.024014219 -3.1473610479 0 6.6308251524 1.3220640749 0.5485221722 0 6.1286335821 2.5561039019 -0.6248205907 0 5.3674154698 2.466770454 0.9777624221 0 1.9747340028 2.0079738005 -0.4944887715 0 1.7741995857 3.7758436948 -0.5514924428 0 2.5707474586 3.0083120998 0.8595675232 Gaussian 16 13-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C18H20ClN3O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5782,.5531,-.3527;1.7412,-2.6173,.7921;.5626,2.7821,.8318;-.546,2.5445,-1.1404;-1.633,2.3862,.8732;.5492,-1.8928,.7257;4.2121,.0652,.522;-2.8938,.3345,.1889;-1.7252,-1.8167,.162;-1.7396,-.4244,.33;-2.8691,1.8505,.3382;-4.0766,-.3459,-.1311;-2.9283,-2.4594,-.1489;-.4489,-2.5688,.2823;-4.1029,-1.7249,-.2923;-.391,-4.0178,-.1226;3.282,-.8054,.1182;2.7926,-1.7443,1.2029;4.7337,.9213,-.368;2.8148,-.8623,-1.1953;4.3254,.9317,-1.7055;3.3509,.0285,-2.1189;-.5393,2.5678,.0715;5.7755,1.8764,.1528;1.7974,2.9022,.1022;-.8062,.0648,.5663;-3.0382,2.3071,-.6396;-3.6898,2.1716,.9827;-2.969,-3.5326,-.2831;-5.0354,-2.2188,-.5339;-1.4466,2.2706,1.8581;.6297,-4.3898,-.0975;-.9976,-4.6238,.5574;-.7972,-4.1473,-1.1291;2.4809,-1.1637,2.0754;3.6076,-2.4076,1.5023;2.0542,-1.5773,-1.4751;4.7585,1.6394,-2.4023;3.0079,.024,-3.1474;6.6308,1.3221,.5485;6.1286,2.5561,-.6248;5.3674,2.4668,.9778;1.9747,2.008,-.4945;1.7742,3.7758,-.5515;2.5707,3.0083,.8596; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/gas/CON #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 pyribencarb CONF72 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1313 A 1163 A 1163 1687 1313 95 95 2318.9971041078 45 45 45 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 -0.0493749336 0.000000 8.058344 0.000000 6.639347 5.526669 0.000000 5.468955 5.967484 2.274878 0.000000 4.519734 6.035508 2.231371 2.293764 0.000000 6.685143 1.396505 4.676112 4.936803 4.805621 0.000000 9.841459 3.657087 4.560314 5.616972 6.298891 4.158418 0.000000 2.747265 5.528135 4.283743 3.487638 2.503486 4.135596 7.118808 0.000000 4.552660 3.613087 5.179926 4.701849 4.263695 2.344489 6.238872 2.448247 0.000000 4.019525 4.139886 3.979166 3.521620 2.864662 2.747998 5.974961 1.388497 1.402453 0.000000 3.082230 6.436040 3.589949 2.839834 1.449513 5.084043 7.305111 1.523579 3.845539 2.539925 0.000000 1.764188 6.313361 5.677454 4.673164 3.800582 4.952265 8.324561 1.401574 2.788905 2.383301 2.550052 0.000000 4.017327 4.765994 6.373411 5.630030 5.118794 3.630247 7.603209 2.814400 1.398900 2.404798 4.337728 2.405310 0.000000 6.038188 2.249198 5.473259 5.308446 5.128674 1.284404 5.359147 3.796727 1.486310 2.503291 5.038920 4.274593 2.518975 0.000000 2.714661 6.010570 6.583573 5.621306 4.935607 4.765200 8.544478 2.436111 2.422474 2.768332 3.834516 1.388585 1.392810 3.794016 0.000000 6.917562 2.710105 6.932384 6.642558 6.598865 2.473677 6.186717 5.030175 2.589510 3.864636 6.386682 5.202448 2.977705 1.505608 4.366265 0.000000 8.976173 2.472071 4.557937 5.240256 5.908829 3.003296 1.336467 6.280532 5.108548 5.040552 6.703633 7.377159 6.432307 4.129899 7.453313 4.885545 0.000000 8.818618 1.426911 5.059509 5.918725 6.062633 2.298328 2.398612 6.138713 4.636700 4.800481 6.761996 7.135820 5.921674 3.469010 7.055765 4.130466 1.515803 0.000000 10.318480 4.777238 4.722287 5.577334 6.649898 5.159933 1.340442 7.670235 7.035252 6.648445 7.691814 8.904067 8.377460 6.281891 9.224624 7.121579 2.307618 3.652522 0.000000 8.553127 2.860480 4.739544 4.785879 5.883422 3.144037 2.400417 5.994677 4.833704 4.822969 6.482091 6.992135 6.052102 3.968225 7.029533 4.624353 1.395310 2.555339 2.747346 0.000000 10.002760 5.050853 4.901088 5.162492 6.653424 5.305462 2.392698 7.487465 6.902979 6.539647 7.535356 8.643159 8.157060 6.244855 8.949382 7.017624 2.726150 4.238996 1.398469 2.400142 0.000000 9.117261 4.250356 4.905450 4.740658 6.273036 4.430896 2.777954 6.664542 5.862989 5.667113 6.931488 7.698011 7.035531 5.191372 7.872179 5.861728 2.388462 3.806429 2.403048 1.390709 1.391454 0.000000 5.443274 5.710169 1.355827 1.212144 1.368145 4.637922 5.389118 3.247301 4.542987 3.234379 2.452197 4.587264 5.570280 5.141723 5.590963 6.590107 5.097454 5.565630 5.541576 4.961952 5.431440 5.136154 0.000000 11.441700 6.072628 5.334354 6.486874 7.460841 6.469052 2.420852 8.805357 8.360571 7.861404 8.646555 10.103549 9.728522 7.649735 10.523776 8.534768 3.662019 4.807275 1.506215 4.252461 2.539322 3.801731 6.353067 0.000000 7.754014 5.562726 1.439278 2.676462 3.553630 4.993870 3.749071 5.348616 5.889008 4.860956 4.789321 6.716261 7.151286 5.916887 7.508614 7.261217 3.993845 4.877690 3.573066 4.109762 3.679872 3.950253 2.360742 4.108504 0.000000 4.884194 3.705955 3.054122 3.021563 2.483305 2.386376 5.018534 2.138488 2.132650 1.080042 2.737945 3.369048 3.374316 2.672831 3.848208 4.161032 4.203784 4.077878 5.683018 4.132125 5.678557 4.949089 2.565397 6.838935 3.878776 0.000000 3.100048 7.010153 3.918710 2.553098 2.066251 5.689684 7.677396 2.144383 4.401361 3.176086 1.092281 2.893980 4.792870 5.597166 4.184592 6.875896 7.085706 7.335257 7.899130 6.679169 7.566418 6.942707 2.611102 8.859672 4.928218 3.385824 0.000000 2.822904 7.243372 4.298687 3.811906 2.070917 5.878350 8.190873 2.153773 4.521049 3.311903 1.091854 2.779937 4.827641 5.784926 4.120521 7.100117 7.630016 7.576554 8.622260 7.500576 8.544484 7.986569 3.303485 9.506204 5.605261 3.595460 1.753527 0.000000 4.848318 4.917321 7.320525 6.598282 6.176927 4.010517 8.072224 3.896514 2.165474 3.398213 5.419790 3.377093 1.082372 2.756728 2.133975 2.628084 6.831809 6.212995 8.898027 6.435381 8.669523 7.482834 6.576018 10.291352 8.017049 4.282570 5.850939 5.887248 0.000000 2.830392 6.916619 7.629621 6.573572 5.895965 5.734147 9.583740 3.410015 3.406318 3.850713 4.691792 2.142239 2.155462 4.671680 1.082475 4.997510 8.461807 8.032302 10.262648 7.993899 9.945973 8.825700 6.594891 11.580846 8.562466 4.930641 4.948069 4.835910 2.461492 0.000000 4.990745 5.932083 2.313372 3.142781 1.008991 4.753852 6.218510 2.937460 4.433971 3.111879 2.123640 4.209469 5.347449 5.186275 5.257729 6.676825 5.903279 5.875264 6.706079 6.107158 6.914297 6.622618 2.025674 7.431110 3.742399 2.635152 2.961885 2.410023 6.370156 6.225358 0.000000 7.939497 2.273531 7.232165 7.110211 7.209489 2.630440 5.750249 5.900481 3.497663 4.639022 7.167493 6.205062 4.048220 2.150288 5.434831 1.086692 4.464250 3.656212 6.717423 4.292204 6.675490 5.568929 7.057195 8.112155 7.387610 4.727156 7.654751 7.929502 3.703969 6.082455 7.245391 0.000000 6.972222 3.403269 7.573427 7.380531 7.045881 3.143130 7.009239 5.321312 2.926738 4.270514 6.743001 5.315540 2.985214 2.144764 4.332377 1.094384 5.752223 4.803447 8.028173 5.635151 8.019866 6.907717 7.222612 9.396282 8.041140 4.692542 7.323554 7.321676 2.404963 4.824845 7.030347 1.769627 0.000000 6.749444 3.532131 7.328759 6.696571 6.884405 3.214971 6.750195 5.120487 2.821321 4.108166 6.513049 5.118669 2.889886 2.146005 4.182867 1.093090 5.418883 4.909084 7.540595 4.882816 7.236663 5.968610 6.826496 9.007105 7.612058 4.540544 6.849864 7.263309 2.410423 4.694197 7.108728 1.777350 1.764028 0.000000 8.590299 2.075354 4.560204 5.766699 5.565195 2.466775 2.630701 5.889883 4.666849 4.626665 6.381679 6.966950 5.990471 3.711250 7.019153 4.607116 2.144976 1.093448 3.923277 3.301533 4.699773 4.446413 5.202109 4.877753 4.570786 3.819910 7.062435 7.099032 6.393441 8.025997 5.221727 4.307799 5.135847 5.469707 0.000000 9.827882 2.007943 6.054300 6.982873 7.130271 3.197210 2.727888 7.177217 5.530384 5.822418 7.838027 8.121936 6.741459 4.239081 7.946070 4.606804 2.142145 1.092694 3.980868 3.208394 4.685707 4.371932 6.633226 4.987295 5.781966 5.144980 8.425141 8.630882 6.906910 8.881643 6.896144 3.918834 5.197348 5.417941 1.773499 0.000000 8.003257 2.513961 5.152724 4.884906 5.900784 2.684789 3.367902 5.559341 4.125698 4.356672 6.267094 6.396002 5.230847 3.215125 6.271460 3.710040 2.154521 2.782936 3.827278 1.080694 3.392077 2.162071 5.128374 5.331542 4.755968 3.878879 6.458996 7.286206 5.520535 7.180493 6.178288 3.440562 4.767182 3.854260 3.599943 3.459458 0.000000 10.593755 6.117827 5.419444 5.527093 7.220620 6.322885 3.365701 8.183767 7.781936 7.345082 8.107656 9.335823 8.997965 7.213356 9.710562 7.982354 3.809214 5.320900 2.157529 3.390210 1.083534 2.157876 5.920156 2.760225 4.078586 6.500588 8.021266 9.116762 9.536969 10.690930 7.553256 7.662294 9.006675 8.122354 5.752805 5.740126 4.303466 0.000000 9.044957 4.909237 5.424032 4.796974 6.578972 4.971915 3.862103 6.786529 6.061549 5.901883 7.072766 7.708709 7.098998 5.516751 7.859642 6.085863 3.380392 4.700858 3.392410 2.152536 2.153767 1.084198 5.423543 4.688438 4.506510 5.323576 6.932278 8.156549 7.521712 8.749550 7.067080 5.868507 7.167405 5.995994 5.382007 5.281305 2.504012 2.495819 0.000000 12.266386 6.283786 6.247820 7.473531 8.338376 6.881336 2.725872 9.582408 8.934472 8.553506 9.516904 10.857827 10.303469 8.082799 11.189484 8.847072 3.990708 4.956131 2.144700 4.730193 3.247740 4.421070 7.293202 1.093402 5.104702 7.542566 9.791410 10.364668 10.789595 12.239666 8.237664 8.310053 9.671913 9.375726 5.072671 4.894866 5.783310 3.509116 5.335738 0.000000 11.880080 6.929726 5.757913 6.694519 7.906691 7.262690 3.345525 9.327464 9.023502 8.467872 9.076555 10.621284 10.363808 8.387544 11.096056 9.272214 4.467110 5.741393 2.164384 4.795080 2.656734 4.041833 6.704242 1.091515 4.405436 7.464402 9.170220 9.956630 10.952412 12.142610 7.976855 8.874829 10.184880 9.651804 5.868039 5.959738 5.865897 2.424285 4.744859 1.775326 0.000000 11.191028 6.247511 4.817363 6.281810 7.001650 6.502657 2.703672 8.568319 8.325815 7.699916 8.284228 9.916135 9.713607 7.724609 10.434107 8.741836 3.974282 4.941040 2.145036 4.724524 3.262223 4.427231 5.976734 1.093480 3.701518 6.637185 8.561282 9.062066 10.347827 11.509023 6.873431 8.403298 9.537617 9.283730 4.766212 5.208778 5.774790 3.532736 5.343316 1.758068 1.776431 0.000000 7.693097 4.806571 2.086243 2.656913 3.876771 4.328640 3.132644 5.193263 5.361795 4.515852 4.917374 6.503165 6.641967 5.236787 7.135346 6.484176 3.162229 4.198765 2.967952 3.071730 2.854939 2.907031 2.637107 3.857691 1.089524 3.554553 5.023936 5.856306 7.428510 8.185888 4.160395 6.549699 7.343155 6.780408 4.113403 5.113801 3.717780 3.394809 3.470051 4.820532 4.191934 3.726702 0.000000 8.030158 6.532900 2.090231 2.691883 3.945854 5.938477 4.567777 5.846465 6.635639 5.546749 5.104733 7.169184 7.820028 6.774325 8.053934 8.100143 4.869308 5.881080 4.115924 4.796879 3.991218 4.357206 2.683257 4.484871 1.091379 4.656162 5.032314 5.897729 8.716819 9.072285 4.294803 8.257973 8.914423 8.349979 5.639060 6.768651 5.439418 4.110427 4.726179 5.551385 4.522636 4.118676 1.780120 0.000000 8.596698 5.686844 2.021044 3.732172 4.249540 5.303354 3.386730 6.120463 6.497911 5.535661 5.586041 7.511272 7.819934 6.368298 8.262443 7.687812 3.949708 4.770175 3.246673 4.389079 3.737757 4.284739 3.238482 3.471463 1.087644 4.489322 5.848025 6.317456 8.647409 9.333674 4.204790 7.708192 8.430522 8.154814 4.346470 5.551606 5.171563 4.159300 5.015238 4.407314 3.881553 2.851068 1.785883 1.792954 0.000000 C18H20ClN3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 341.6638999999997 AuxInfo=1/0/N:8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;1;5;6;7;2;3;4;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.5336,-1.0493,.3933;1.4509,2.799,-.766;.7541,-2.6793,-.9809;-.3295,-2.6101,1.0182;-1.4683,-2.4797,-.9687;.3293,1.9692,-.7047;4.1546,.3398,-.6376;-2.891,-.5735,-.1879;-1.9171,1.6711,-.1036;-1.8118,.2898,-.3219;-2.7354,-2.0752,-.3926;-4.1224,-.0128,.1777;-3.1655,2.1927,.2518;-.7152,2.5377,-.2193;-4.2673,1.3519,.3894;-.7773,3.9712,.237;3.1598,1.1095,-.1859;2.5665,2.038,-1.2269;4.7684,-.4966,.2112;2.717,1.079,1.1369;4.3909,-.5897,1.5545;3.3492,.2081,2.0178;-.3462,-2.5907,-.1937;5.8795,-1.3364,-.3624;2.0098,-2.714,-.2782;-.8439,-.1058,-.5924;-2.8429,-2.5786,.5708;-3.5379,-2.4457,-1.0336;-3.2982,3.2528,.4257;-5.2345,1.752,.6653;-1.3135,-2.3138,-1.9519;.2057,4.4335,.2072;-1.4492,4.5439,-.4097;-1.1721,4.0291,1.2546;2.2892,1.4624,-2.1143;3.3132,2.7813,-1.5165;1.9022,1.7132,1.456;4.8994,-1.2797,2.2173;3.0288,.1464,3.0517;6.6739,-.6946,-.753;6.3077,-2.0084,.3835;5.5081,-1.9319,-1.2009;2.1198,-1.8288,.3473;2.0777,-3.6084,.3436;2.7734,-2.7245,-1.0526; 0.3143516 0.1235642 0.0965081 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= 1163 RedAO= T EigKep= 1.07D-06 NBF= 1163 NBsUse= 1158 1.00D-06 EigRej= 7.73D-07 NBFU= 1158 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= 1283 1283 1283 1283 1283 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1548.43752417782 -1548.51235489517 -0.074830717340 -1548.51228406146 0.000070833709 -1548.51275133165 -0.000467270192 -1548.51280157707 -0.000050245427 -1548.51281102385 -0.000009446771 -1548.51281191170 -0.000000887850 -1548.51281198431 -0.000000072612 -1548.51281199716 -0.000000012852 -1548.51281199768 -0.000000000519 -1548.51281199793 -0.000000000255 -1548.51281199824 -0.000000000310 -1548.51281200 12 1.542506128414e+03 -8.268652813391e+03 2.858686143805e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321150389 LenY= 11319425107 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. PT20412.900S 2022-05-13T20:37:49.000 -101.55877 -19.17680 -19.16403 -19.09661 -14.36596 -14.34351 -14.31117 -10.31595 -10.24462 -10.22864 -10.22836 -10.22182 -10.22125 -10.21959 -10.21706 -10.20343 -10.20104 -10.19501 -10.19415 -10.19270 -10.18518 -10.18274 -10.18155 -10.18148 -10.17088 -9.47352 -7.23725 -7.22887 -7.22840 -1.10737 -1.09932 -1.01578 -0.95338 -0.94005 -0.90766 -0.89264 -0.84309 -0.80935 -0.79934 -0.78889 -0.75876 -0.74350 -0.72848 -0.71595 -0.69220 -0.68761 -0.63342 -0.62375 -0.61888 -0.60084 -0.59042 -0.56372 -0.55269 -0.53294 -0.51979 -0.51329 -0.50451 -0.49368 -0.48770 -0.48344 -0.47078 -0.46598 -0.45783 -0.45261 -0.44817 -0.44492 -0.44409 -0.43482 -0.43119 -0.42997 -0.42164 -0.41669 -0.41063 -0.40219 -0.39729 -0.39232 -0.38922 -0.38200 -0.37487 -0.37112 -0.36726 -0.36666 -0.36126 -0.34617 -0.32384 -0.30592 -0.29317 -0.28817 -0.28741 -0.28644 -0.27421 -0.26649 -0.26572 -0.25934 -0.23614 -0.06156 -0.04023 -0.02829 -0.02234 -0.00682 -0.00139 0.00079 0.00769 0.01290 0.01474 0.01750 0.02456 0.02834 0.03096 0.03253 0.03559 0.04001 0.04482 0.04887 0.04921 0.05129 0.05371 0.05946 0.06477 0.06677 0.06896 0.07239 0.07314 0.07662 0.07954 0.08563 0.09063 0.09193 0.09395 0.10064 0.10268 0.10430 0.10644 0.11389 0.11578 0.11696 0.11950 0.12295 0.12480 0.12608 0.13190 0.13349 0.13672 0.13851 0.14070 0.14688 0.14758 0.15067 0.15373 0.15556 0.15834 0.16024 0.16255 0.16411 0.16636 0.16909 0.17109 0.17552 0.17782 0.18133 0.18241 0.18581 0.18745 0.18911 0.19283 0.19399 0.19721 0.20118 0.20173 0.20308 0.20504 0.20784 0.20992 0.21449 0.21568 0.21726 0.22013 0.22307 0.22648 0.22817 0.22984 0.23180 0.23317 0.23898 0.24238 0.24288 0.24613 0.24670 0.24998 0.25319 0.25438 0.25656 0.25862 0.26217 0.26465 0.26651 0.27119 0.27229 0.27571 0.27843 0.28151 0.28379 0.28750 0.29148 0.29403 0.29558 0.29733 0.29859 0.29981 0.30305 0.30573 0.30687 0.30746 0.31128 0.31176 0.31831 0.32258 0.32365 0.32980 0.33424 0.33465 0.33718 0.33945 0.34078 0.34860 0.35088 0.35105 0.35463 0.35969 0.36316 0.36487 0.37094 0.37219 0.37838 0.38287 0.38489 0.38706 0.38965 0.39273 0.39561 0.40114 0.40322 0.40600 0.41079 0.41581 0.41688 0.41981 0.42209 0.42880 0.43199 0.43288 0.43522 0.43932 0.44286 0.44648 0.44997 0.45659 0.45722 0.46166 0.46403 0.46826 0.47147 0.47650 0.47690 0.47844 0.48568 0.48784 0.49370 0.49461 0.50034 0.50551 0.50983 0.51535 0.51796 0.52092 0.52223 0.52486 0.53260 0.53459 0.53922 0.54108 0.54478 0.55013 0.55046 0.55901 0.56077 0.56463 0.56571 0.56796 0.57256 0.57729 0.57800 0.58376 0.58474 0.58847 0.59102 0.59366 0.59647 0.60197 0.60818 0.61131 0.61343 0.61662 0.62032 0.62150 0.62645 0.62859 0.63137 0.63480 0.63638 0.63920 0.64493 0.64755 0.65094 0.65309 0.65554 0.65981 0.66569 0.66722 0.66865 0.67397 0.67629 0.67963 0.68118 0.68659 0.69584 0.69764 0.69969 0.70523 0.70945 0.71148 0.71577 0.71955 0.72263 0.72524 0.72865 0.73156 0.73595 0.73719 0.73942 0.74497 0.74649 0.75066 0.75763 0.75844 0.76066 0.76342 0.76535 0.77495 0.77860 0.78495 0.79058 0.79390 0.79674 0.80091 0.80862 0.81439 0.81747 0.82206 0.82677 0.83345 0.83529 0.84177 0.84576 0.85394 0.86017 0.86474 0.86722 0.87578 0.87691 0.88449 0.88616 0.88889 0.90002 0.90345 0.90508 0.90853 0.91154 0.91873 0.92199 0.92571 0.92960 0.93744 0.94062 0.94162 0.95214 0.95440 0.95670 0.96471 0.96741 0.97726 0.98068 0.98347 0.99069 0.99700 1.00213 1.00582 1.01338 1.01991 1.02090 1.02800 1.03164 1.03854 1.04466 1.04884 1.05149 1.06109 1.06366 1.07319 1.07623 1.08035 1.08385 1.08772 1.09326 1.09534 1.10397 1.10898 1.11174 1.11381 1.11749 1.12294 1.13082 1.13408 1.13742 1.13843 1.14809 1.14933 1.15049 1.15708 1.15872 1.16947 1.17215 1.17422 1.17926 1.18198 1.18337 1.18960 1.19241 1.19734 1.19981 1.20292 1.20488 1.21146 1.21708 1.21866 1.22379 1.22918 1.23355 1.23754 1.24220 1.24717 1.25110 1.25298 1.25677 1.26412 1.27088 1.27301 1.27520 1.28501 1.28698 1.29082 1.29233 1.29687 1.29847 1.30046 1.30994 1.31228 1.31416 1.31962 1.32599 1.32696 1.32964 1.33719 1.33817 1.34020 1.34412 1.34937 1.35249 1.36040 1.36180 1.36459 1.36896 1.37028 1.37359 1.38163 1.38712 1.38992 1.39142 1.39920 1.40279 1.40993 1.41680 1.42279 1.42380 1.42822 1.43390 1.43934 1.44208 1.44696 1.45253 1.45615 1.46426 1.46694 1.47328 1.47532 1.47845 1.48705 1.49053 1.50031 1.50509 1.50920 1.51109 1.51924 1.52080 1.52499 1.53301 1.53632 1.54345 1.54796 1.55483 1.55960 1.56538 1.56657 1.57081 1.57336 1.57643 1.58686 1.59747 1.60818 1.61497 1.62367 1.62675 1.62885 1.63550 1.64127 1.64475 1.64622 1.65499 1.66216 1.67220 1.67593 1.68588 1.69578 1.69763 1.70507 1.71328 1.71793 1.72331 1.72887 1.73116 1.74749 1.75330 1.75730 1.77351 1.77764 1.78585 1.79347 1.80322 1.80936 1.81738 1.83470 1.83583 1.84570 1.85998 1.86180 1.86946 1.88234 1.88502 1.90992 1.92340 1.92716 1.93198 1.93624 1.94081 1.95428 1.95779 1.96066 1.97289 1.97462 1.98738 1.99030 1.99643 1.99897 2.01384 2.01822 2.02485 2.02837 2.03985 2.04375 2.05196 2.05708 2.06559 2.06918 2.08241 2.09433 2.10015 2.10501 2.10672 2.11236 2.11982 2.12979 2.13771 2.13996 2.14526 2.15670 2.16549 2.17312 2.17909 2.18388 2.19343 2.20145 2.21312 2.21701 2.22620 2.24363 2.24876 2.25320 2.25566 2.26884 2.27720 2.28270 2.29503 2.30313 2.30446 2.31796 2.32504 2.34098 2.35180 2.35959 2.37315 2.38980 2.39180 2.40322 2.40815 2.42003 2.42790 2.44493 2.45355 2.47023 2.49827 2.50315 2.50715 2.51490 2.51868 2.52996 2.54050 2.54256 2.56966 2.58067 2.58905 2.59732 2.60171 2.60483 2.62398 2.63474 2.64516 2.66451 2.67572 2.69365 2.70341 2.71882 2.72352 2.74208 2.74844 2.75691 2.76926 2.78088 2.78615 2.78942 2.78997 2.79974 2.80504 2.81142 2.81224 2.82071 2.82787 2.83297 2.83686 2.84537 2.85419 2.85930 2.86245 2.86626 2.87362 2.88227 2.88733 2.90139 2.90208 2.90947 2.91629 2.91981 2.92403 2.92894 2.93246 2.93786 2.94167 2.95001 2.95127 2.95761 2.96242 2.96888 2.97494 2.98044 2.99111 2.99834 2.99960 3.01171 3.01417 3.01729 3.02791 3.03411 3.04584 3.05215 3.05450 3.06388 3.07233 3.08368 3.09243 3.09447 3.10479 3.11014 3.12530 3.13083 3.13710 3.14407 3.16281 3.16455 3.17135 3.17414 3.17985 3.18205 3.19255 3.19715 3.20836 3.21971 3.22213 3.22832 3.23375 3.24055 3.24556 3.24855 3.25128 3.26145 3.26761 3.27343 3.27743 3.28863 3.28989 3.29607 3.30183 3.31845 3.32678 3.33087 3.33803 3.34348 3.35695 3.36365 3.37738 3.38617 3.38832 3.39166 3.39483 3.40467 3.41820 3.42397 3.42669 3.43545 3.44504 3.45180 3.45522 3.45829 3.46399 3.47797 3.48132 3.48519 3.49361 3.49955 3.51574 3.52318 3.53442 3.53906 3.54930 3.55403 3.56290 3.57162 3.57632 3.58369 3.59045 3.59954 3.60212 3.61519 3.61720 3.62576 3.63440 3.64261 3.65345 3.65705 3.66987 3.67151 3.67596 3.68421 3.69502 3.70369 3.70968 3.71821 3.73291 3.75210 3.75442 3.76454 3.77321 3.77573 3.78631 3.78892 3.80284 3.81659 3.83269 3.84281 3.84751 3.86841 3.88532 3.89107 3.90450 3.91473 3.93012 3.93236 3.94819 3.95554 3.97185 3.97458 3.99041 3.99881 4.00307 4.01274 4.02132 4.02904 4.05746 4.06649 4.07618 4.08879 4.09729 4.11965 4.13479 4.14592 4.15968 4.16016 4.16533 4.17713 4.18799 4.19922 4.20713 4.21080 4.21751 4.22380 4.23249 4.23667 4.24978 4.26232 4.26855 4.28253 4.28526 4.28953 4.30252 4.30853 4.31080 4.31671 4.32067 4.32332 4.32829 4.33439 4.33868 4.34208 4.34645 4.35413 4.36097 4.37044 4.37689 4.38877 4.39157 4.39559 4.40219 4.40750 4.41531 4.41896 4.42748 4.42874 4.44301 4.44576 4.46409 4.46953 4.47094 4.47940 4.48199 4.49136 4.50171 4.50681 4.51010 4.51682 4.53560 4.53942 4.54426 4.55924 4.56848 4.57743 4.58734 4.60086 4.60911 4.62138 4.62736 4.64278 4.65049 4.65659 4.66185 4.68591 4.69554 4.70523 4.71718 4.73485 4.75595 4.75858 4.76080 4.77961 4.79410 4.80100 4.81117 4.82226 4.85109 4.86609 4.88926 4.91039 4.96284 4.96468 4.99782 5.01397 5.02030 5.03650 5.05961 5.11281 5.11592 5.13122 5.16051 5.17607 5.18381 5.19804 5.21002 5.23402 5.23677 5.27066 5.27241 5.28341 5.29403 5.31020 5.35270 5.36652 5.38383 5.40095 5.42329 5.43738 5.46024 5.46958 5.48141 5.49467 5.53460 5.55019 5.59648 5.60735 5.63824 5.67806 5.68559 5.70620 5.71501 5.72615 5.74420 5.77143 5.77706 5.79352 5.81115 5.82093 5.82592 5.84035 5.85046 5.85646 5.86738 5.87732 5.88579 5.89014 5.93211 5.94562 5.96256 5.97637 6.00547 6.01987 6.03469 6.03996 6.11798 6.12977 6.16259 6.16772 6.19699 6.30311 6.34513 6.38311 6.44053 6.53587 6.57193 6.70276 6.85152 7.00601 7.00826 7.09249 7.11454 7.12271 7.13006 7.14894 7.15453 7.16470 7.16792 7.18807 7.19167 7.21226 7.23467 7.24173 7.28337 7.29759 7.30615 7.30848 7.32230 7.33272 7.34169 7.34958 7.35412 7.36635 7.38062 7.38816 7.40280 7.41190 7.41529 7.42305 7.43355 7.45045 7.45500 7.46615 7.46909 7.48529 7.50303 7.52732 7.57289 7.57588 7.58735 7.59534 7.61546 7.63027 7.64446 7.66407 7.69477 7.72514 7.73472 7.77226 7.78018 7.78521 7.80047 7.84541 7.86631 7.87221 7.90375 7.92074 7.93713 7.95619 7.97493 7.97922 7.98545 8.00522 8.02126 8.05970 8.06473 8.06660 8.08003 8.14956 8.15356 8.17392 8.19885 8.22961 8.23614 8.24380 8.26379 8.26826 8.30244 8.33683 8.36512 8.38224 8.39383 8.45364 8.49203 8.50864 8.57334 8.66694 8.67459 8.78215 8.83927 9.36794 10.06192 10.32583 10.39739 10.41308 10.50055 10.52337 10.64191 10.65146 10.73354 10.81272 11.10190 11.19007 11.21808 11.25618 11.34370 11.53382 14.41622 14.42838 14.44416 14.45867 14.48914 14.50103 14.54042 14.55760 14.71439 14.81396 14.89394 14.99528 15.11187 15.16938 15.21208 24.06522 24.18763 24.31830 24.40669 24.41742 24.44169 24.46059 24.93496 24.94685 24.95850 25.09095 25.20097 25.21018 25.34803 25.39638 25.41841 25.69420 25.77278 26.10968 27.06601 28.35161 36.13497 36.28178 36.33679 50.22865 50.28250 50.51521 216.07625 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl O O O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.336570 -0.337971 -0.597781 -0.711351 -0.896124 -0.647679 -0.967446 0.382067 0.375685 -0.459781 -0.070007 0.545253 -0.337610 0.348878 -0.490667 -0.337215 0.145729 0.417442 0.508036 0.169867 -0.307123 -0.441490 1.105368 -0.215037 -0.192758 0.220483 0.192279 0.177250 0.137563 0.144895 0.233492 0.163557 0.175086 0.180248 0.158152 0.144322 0.145829 0.123230 0.134972 0.151999 0.126090 0.151180 0.283449 0.150648 0.153559 -0.00000 0.8991 1.7654 -0.2490 1.9967 -148.4218 -147.4806 -153.7731 -11.2504 6.8846 6.7488 1.4700 2.4112 -3.8812 -11.2504 6.8846 6.7488 53.4407 19.7111 -4.7009 -13.5886 -22.4174 16.0921 5.3519 -4.5265 -8.4373 -19.1496 -10088.9997 -3641.5465 -749.0408 -209.8696 25.9103 -47.5596 19.6545 33.2619 11.5141 -2152.6389 -1827.3770 -765.9640 -7.5416 -16.0118 18.2610 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-ESTREMERA APULGAR 2022-05-13T00:00:00.000 0 Single Point pyribencarb CONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1548.512812 RMSD=4.688e-09 Dipole=0.4159656,-0.6565051,0.114498 Quadrupole=-0.5863918,3.584862,-2.9984703,8.040204,-5.8829201,4.1663959 PG=C01 [X(C18H20Cl1N3O3)] 0 -5.5782170957 0.5531282323 -0.3527332162 0 1.7412454 -2.6173055722 0.7921354231 0 0.5625981658 2.7820726996 0.8318037989 0 -0.5459907982 2.5445386192 -1.1404233488 0 -1.6329902356 2.3862254372 0.8732108481 0 0.5492189713 -1.8928166754 0.7257000791 0 4.2121437054 0.0652217791 0.5219615417 0 -2.8937707051 0.334483178 0.1889394215 0 -1.7252162913 -1.8167180982 0.1619784022 0 -1.739624658 -0.4244432068 0.3300158875 0 -2.8690667661 1.8505322531 0.3382012833 0 -4.0765688452 -0.3459276574 -0.1311235181 0 -2.9282524491 -2.4593541741 -0.1488959309 0 -0.4488749462 -2.5687740816 0.2823219587 0 -4.1029407043 -1.7248737993 -0.2923039685 0 -0.3910423278 -4.0177508563 -0.1226177769 0 3.2820431716 -0.8054305817 0.1182035135 0 2.7925534476 -1.7443191833 1.2028907893 0 4.7336826471 0.9212665645 -0.3679647975 0 2.8147858764 -0.862337682 -1.1953114348 0 4.3254199709 0.9316522781 -1.7054738519 0 3.3509471957 0.0285218195 -2.118876062 0 -0.5393418545 2.5678280414 0.0714788917 0 5.7754611491 1.8763700016 0.1527630716 0 1.7974012595 2.9021805432 0.1021767874 0 -0.8061945668 0.0647956514 0.5663310801 0 -3.038192374 2.3070644034 -0.6395785633 0 -3.6898403822 2.1715797701 0.98272066 0 -2.9689650351 -3.5325971559 -0.2831352712 0 -5.0353683864 -2.2188061446 -0.5338836055 0 -1.4465863893 2.2705496037 1.8580641013 0 0.6296605103 -4.3898201258 -0.0975353997 0 -0.997550746 -4.6238346453 0.5574449035 0 -0.797205082 -4.1473088826 -1.1291430513 0 2.4809267652 -1.1636627315 2.0754473673 0 3.60764698 -2.4075902584 1.502346704 0 2.0542017669 -1.5772681843 -1.4751055903 0 4.7584570319 1.639424979 -2.4023109361 0 3.0078966796 0.024014219 -3.1473610479 0 6.6308251524 1.3220640749 0.5485221722 0 6.1286335821 2.5561039019 -0.6248205907 0 5.3674154698 2.466770454 0.9777624221 0 1.9747340028 2.0079738005 -0.4944887715 0 1.7741995857 3.7758436948 -0.5514924428 0 2.5707474586 3.0083120998 0.8595675232