Gaussian 16 GINC-CABRERA ALCAMI Optimization Chlorfenvinphos CONF202 gas EM64L-G16RevC.01 19-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 34 34 92 92 556 (5D, 7F) 6-311+G(d,p) 96 96 C1[X(C12H14Cl3O4P)] C1[X(C12H14Cl3O4P)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 345.45876099999987 0 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0503,-.2476,2.7189;-4.251,2.3896,.9241;-1.3162,-3.5316,.0532;1.7743,.2779,-1.3779;1.5186,-.8231,-.1948;1.4257,1.6742,-.7225;3.3638,.2823,-1.4174;1.0443,-.0118,-2.6154;-.856,-.4722,.185;.2722,-1.3872,-.0759;2.0086,2.15,.4985;4.0938,-.4997,-2.3718;-1.0386,.1175,1.4306;-1.7515,-.1563,-.8308;1.1246,3.2385,1.0554;3.9541,-1.9907,-2.1566;-2.0823,.9947,1.6718;-2.8009,.7189,-.6161;-2.9548,1.2894,.6369;.1677,-2.7048,-.1774;2.1027,1.3349,1.2195;3.0105,2.5299,.287;3.7811,-.2261,-3.3813;5.1307,-.19,-2.2474;-1.6073,-.5942,-1.8085;1.0354,4.0743,.3625;.1253,2.8632,1.2715;1.5532,3.6143,1.9846;2.947,-2.3386,-2.3866;4.6407,-2.5143,-2.8228;4.199,-2.271,-1.1326;-2.2132,1.4374,2.6487;-3.4863,.96,-1.4158;1.0213,-3.3344,-.3881; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6488893/Gau-3521903.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6488893/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Chlorfenvinphos CONF202 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 35 35 31 16 16 16 16 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 34.9688527 34.9688527 34.9688527 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 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 -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 1 2 3 4 4 4 4 5 6 7 9 9 9 10 11 11 11 12 12 12 13 14 14 15 15 15 16 16 16 17 17 18 18 20 13 19 20 5 6 7 8 10 11 12 10 13 14 20 15 21 22 16 23 24 17 18 25 26 27 28 29 30 31 19 32 19 33 34 1.7259 1.7243 1.7143 1.6363 1.5814 1.59 1.4657 1.3732 1.4342 1.4336 1.4759 1.3902 1.3905 1.3256 1.5088 1.0923 1.0921 1.5129 1.0917 1.0893 1.3845 1.3832 1.0809 1.0893 1.0892 1.09 1.09 1.0906 1.0896 1.3853 1.0805 1.3854 1.0804 1.0814 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 5 6 6 7 4 4 4 10 10 13 5 5 9 6 6 6 15 15 21 7 7 7 16 16 23 1 1 9 9 9 18 11 11 11 26 26 27 12 12 12 29 29 30 13 13 19 14 14 19 2 2 17 3 3 10 4 4 4 4 4 4 5 6 7 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 6 7 8 7 8 8 10 11 12 13 14 14 9 20 20 15 21 22 21 22 22 16 23 24 23 24 24 9 17 17 18 25 25 26 27 28 27 28 28 29 30 31 30 31 31 19 32 32 19 33 33 17 18 18 10 34 34 105.0694 100.138 113.5604 103.1911 114.4997 118.5191 118.7415 123.7942 121.6059 121.4485 120.2698 118.2671 117.0282 118.2449 124.7148 108.3892 110.4474 108.8652 110.1954 110.9795 107.9602 113.3191 109.4576 104.6908 110.6143 110.5996 107.8771 119.7517 118.661 121.5869 121.2625 118.8656 119.8632 111.5125 111.2355 109.4487 108.3897 108.0552 108.0844 111.704 109.1556 111.501 107.4286 108.8946 108.0059 118.6513 120.5542 120.7944 119.0274 120.5035 120.4676 118.9987 119.7975 121.2038 122.5005 115.3868 122.0963 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 7 8 5 7 8 5 6 8 4 4 4 4 4 4 4 4 13 13 14 14 10 10 14 14 10 10 13 13 5 5 9 9 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 1 1 9 9 9 9 25 25 13 13 32 32 14 14 33 33 4 4 4 4 4 4 4 4 4 5 5 6 6 6 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 18 18 18 18 5 5 5 6 6 6 7 7 7 10 10 11 11 11 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 20 20 20 20 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 10 10 10 11 11 11 12 12 12 9 20 15 21 22 16 23 24 5 20 5 20 1 17 1 17 18 25 18 25 3 34 3 34 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 19 32 19 32 19 33 19 33 2 18 2 18 2 17 2 17 90.1196 -163.1291 -35.7485 53.8446 -50.6527 179.1272 96.9656 -154.7834 -27.0415 -60.1751 121.03 -160.5651 -39.7537 78.6167 -66.9689 57.0111 172.4276 -73.602 105.1064 104.9806 -76.311 -1.3963 178.8412 179.9936 0.2311 -178.7338 0.1884 -0.1067 178.8154 175.9833 -2.4752 -2.7107 178.8308 -60.4085 60.7207 -179.9124 178.6241 -60.2466 59.1202 59.0907 -179.78 -60.4132 69.2506 -172.0947 -52.8496 -54.096 64.5587 -176.1962 -173.5527 -54.898 64.3471 179.8872 -0.2581 -0.3478 179.507 0.1049 179.6567 -178.8067 0.7451 -179.5568 0.3436 0.5889 -179.5108 179.6741 -0.2254 0.1221 -179.7775 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 576 A 556 A 897 576 2317.6692025361 34 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= 556 RedAO= T EigKep= 1.34D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 7.82D-07 NBFU= 554 Berny optimization. local minimum Step number 33 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00232 0.00288 0.00354 0.00416 0.00520 0.00651 0.01607 0.01888 0.02123 0.02227 0.02248 0.02280 0.02287 0.02288 0.02300 0.02314 0.02389 0.02807 0.03069 0.03856 0.04659 0.05113 0.05479 0.05667 0.05753 0.05778 0.05841 0.05906 0.05948 0.11153 0.11793 0.13193 0.13588 0.14033 0.14325 0.15011 0.15792 0.15878 0.15884 0.15990 0.16001 0.16013 0.16031 0.16051 0.16212 0.16794 0.18187 0.19028 0.21795 0.22105 0.22365 0.22424 0.22848 0.23672 0.24560 0.24662 0.24993 0.25091 0.25214 0.26025 0.27066 0.28201 0.31356 0.31571 0.33014 0.33852 0.34542 0.34598 0.34624 0.34794 0.34832 0.34858 0.34895 0.34950 0.34999 0.35112 0.35399 0.35826 0.35893 0.35929 0.35948 0.37634 0.40931 0.41893 0.43378 0.43985 0.46563 0.47582 0.48156 0.48284 0.50572 0.52348 0.55007 0.56910 0.63453 0.88749 -3.49207389e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 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 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 3.31827 3.31534 3.28796 3.11835 2.99731 3.01189 2.78179 2.63647 2.75786 2.75755 2.80140 2.64237 2.64266 2.51105 2.85910 2.06440 2.06433 2.86624 2.06602 2.06059 2.62785 2.62585 2.04603 2.06317 2.06243 2.06625 2.06186 2.06714 2.06391 2.62886 2.04278 2.62905 2.04405 2.04204 1.84730 1.74369 1.97224 1.79449 1.99528 2.07951 2.09976 2.14561 2.11732 2.12814 2.09078 2.06331 2.03137 2.04541 2.20616 1.87235 1.89890 1.88182 1.94724 1.95899 1.90240 1.92129 1.90551 1.83309 1.95807 1.95236 1.88882 2.09809 2.06215 2.12295 2.11708 2.06808 2.09755 1.93214 1.92736 1.91396 1.89670 1.89659 1.89642 1.93122 1.91520 1.92832 1.90045 1.89519 1.89273 2.06760 2.10524 2.11034 2.07419 2.10901 2.09994 2.07364 2.08832 2.12121 2.14652 2.00482 2.13161 1.49424 -2.93056 -0.70212 0.90157 -0.91979 3.08374 1.21241 3.11310 -0.94262 -1.04206 2.12217 -2.86668 -0.75773 1.30310 -1.77763 0.37899 2.40112 -1.32527 1.79131 1.76825 -1.39836 -0.04141 3.10183 -3.13566 0.00758 -3.09723 0.01148 -0.00193 3.10678 3.05933 -0.05785 -0.05706 3.10894 -1.04683 1.05452 -3.13935 -3.12495 -1.02360 1.06572 1.01717 3.11852 -1.07534 1.08387 -3.10177 -1.01562 -1.04181 1.05573 -3.14131 3.11491 -1.07074 1.01541 3.13308 -0.00636 -0.01013 3.13362 -0.00090 3.12997 -3.10906 0.02181 -3.12931 0.00714 0.01012 -3.13661 3.13466 -0.00175 0.00373 -3.13269 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -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 -0.00001 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 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -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 0.00001 0.00001 0.00000 -0.00000 0.00002 -0.00002 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00023 0.00023 0.00023 -0.00023 -0.00023 -0.00024 0.00005 0.00004 0.00006 0.00004 0.00004 0.00034 0.00034 0.00035 -0.00014 -0.00015 -0.00014 -0.00009 -0.00009 -0.00010 -0.00010 0.00000 0.00001 0.00001 0.00002 -0.00001 -0.00002 -0.00002 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00002 0.00004 0.00004 0.00005 0.00004 0.00004 0.00005 0.00005 0.00005 0.00005 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00003 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00001 0.00000 -0.00002 0.00001 -0.00001 0.00000 0.00003 -0.00003 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00002 -0.00000 -0.00001 -0.00001 -0.00003 -0.00002 0.00001 0.00002 0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00003 -0.00001 -0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00004 -0.00006 -0.00007 -0.00007 -0.00008 -0.00005 0.00006 0.00008 0.00006 -0.00013 -0.00011 -0.00002 -0.00001 -0.00002 0.00005 0.00004 0.00004 0.00008 0.00006 0.00008 0.00006 -0.00001 -0.00002 -0.00001 -0.00001 0.00003 0.00001 0.00002 0.00001 -0.00005 -0.00002 -0.00003 0.00001 0.00002 0.00002 0.00002 0.00001 0.00001 0.00002 0.00004 0.00004 0.00005 0.00012 0.00015 0.00013 0.00016 0.00019 0.00017 0.00012 0.00016 0.00014 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00002 -0.00003 -0.00003 0.00000 -0.00000 0.00000 -0.00003 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00005 -0.00005 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00004 -0.00001 0.00003 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 0.00000 -0.00002 0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00018 0.00017 0.00016 -0.00030 -0.00030 -0.00029 0.00011 0.00012 0.00012 -0.00009 -0.00007 0.00033 0.00033 0.00033 -0.00009 -0.00011 -0.00009 -0.00001 -0.00003 -0.00002 -0.00004 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00004 -0.00001 -0.00002 0.00001 0.00002 0.00002 0.00002 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 0.00016 0.00019 0.00018 0.00020 0.00023 0.00022 0.00017 0.00021 0.00019 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 3.31828 3.31536 3.28795 3.11832 2.99729 3.01189 2.78179 2.63648 2.75783 2.75755 2.80140 2.64236 2.64266 2.51105 2.85911 2.06440 2.06433 2.86623 2.06602 2.06059 2.62784 2.62586 2.04603 2.06317 2.06243 2.06625 2.06186 2.06713 2.06391 2.62886 2.04278 2.62904 2.04405 2.04204 1.84731 1.74369 1.97224 1.79448 1.99529 2.07950 2.09976 2.14566 2.11727 2.12814 2.09077 2.06330 2.03135 2.04541 2.20617 1.87236 1.89890 1.88182 1.94723 1.95898 1.90239 1.92124 1.90549 1.83312 1.95808 1.95237 1.88883 2.09808 2.06215 2.12296 2.11708 2.06808 2.09755 1.93213 1.92736 1.91396 1.89669 1.89659 1.89642 1.93124 1.91520 1.92830 1.90047 1.89517 1.89273 2.06759 2.10525 2.11035 2.07419 2.10901 2.09994 2.07363 2.08832 2.12122 2.14651 2.00483 2.13161 1.49442 -2.93039 -0.70195 0.90127 -0.92010 3.08345 1.21252 3.11322 -0.94250 -1.04215 2.12210 -2.86636 -0.75740 1.30343 -1.77772 0.37889 2.40103 -1.32528 1.79128 1.76823 -1.39840 -0.04142 3.10182 -3.13566 0.00758 -3.09721 0.01148 -0.00193 3.10676 3.05929 -0.05786 -0.05708 3.10895 -1.04681 1.05454 -3.13933 -3.12493 -1.02359 1.06574 1.01720 3.11855 -1.07531 1.08403 -3.10158 -1.01544 -1.04161 1.05597 -3.14109 3.11508 -1.07053 1.01560 3.13307 -0.00636 -0.01013 3.13362 -0.00091 3.12997 -3.10905 0.02182 -3.12931 0.00715 0.01011 -3.13662 3.13467 -0.00175 0.00374 -3.13268 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.000618 0.000170 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.297142e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 2 3 4 4 4 4 5 6 7 9 9 9 10 11 11 11 12 12 12 13 14 14 15 15 15 16 16 16 17 17 18 18 20 13 19 20 5 6 7 8 10 11 12 10 13 14 20 15 21 22 16 23 24 17 18 25 26 27 28 29 30 31 19 32 19 33 34 1.756 1.7544 1.7399 1.6502 1.5861 1.5938 1.4721 1.3952 1.4594 1.4592 1.4824 1.3983 1.3984 1.3288 1.513 1.0924 1.0924 1.5167 1.0933 1.0904 1.3906 1.3895 1.0827 1.0918 1.0914 1.0934 1.0911 1.0939 1.0922 1.3911 1.081 1.3912 1.0817 1.0806 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 6 6 7 4 4 4 10 10 13 5 5 9 6 6 6 15 15 21 7 7 7 16 16 23 1 1 9 9 9 18 11 11 11 26 26 27 12 12 12 29 29 30 13 13 19 14 14 19 2 2 17 3 3 10 4 4 4 4 4 4 5 6 7 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 6 7 8 7 8 8 10 11 12 13 14 14 9 20 20 15 21 22 21 22 22 16 23 24 23 24 24 9 17 17 18 25 25 26 27 28 27 28 28 29 30 31 30 31 31 19 32 32 19 33 33 17 18 18 10 34 34 105.8427 99.9061 113.0013 102.8164 114.3212 119.1469 120.3074 122.9346 121.3136 121.9332 119.7926 118.2188 116.3887 117.1933 126.4035 107.278 108.7987 107.8201 111.5684 112.2418 108.9992 110.0816 109.1774 105.0286 112.1894 111.8619 108.2213 120.2118 118.1524 121.6358 121.2996 118.4925 120.181 110.7032 110.4298 109.6616 108.6727 108.6665 108.6569 110.6509 109.7329 110.4849 108.888 108.5864 108.4456 118.465 120.6215 120.9135 118.8423 120.8374 120.3175 118.8108 119.6522 121.5363 122.9863 114.8679 122.1324 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 7 8 5 7 8 5 6 8 4 4 4 4 4 4 4 4 13 13 14 14 10 10 14 14 10 10 13 13 5 5 9 9 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 1 1 9 9 9 9 25 25 13 13 32 32 14 14 33 4 4 4 4 4 4 4 4 4 5 5 6 6 6 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 18 18 18 5 5 5 6 6 6 7 7 7 10 10 11 11 11 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 20 20 20 20 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 10 10 10 11 11 11 12 12 12 9 20 15 21 22 16 23 24 5 20 5 20 1 17 1 17 18 25 18 25 3 34 3 34 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 19 32 19 32 19 33 19 33 2 18 2 18 2 17 2 85.6137 -167.909 -40.2284 51.6562 -52.7003 176.6856 69.4662 178.3675 -54.0084 -59.7056 121.5914 -164.2489 -43.4146 74.6621 -101.8507 21.7148 137.5741 -75.9324 102.6343 101.3134 -80.12 -2.3726 177.7216 -179.66 0.4342 -177.458 0.6579 -0.1106 178.0053 175.2869 -3.3144 -3.2696 178.1292 -59.9792 60.4194 -179.8714 -179.0463 -58.6477 61.0614 58.2796 178.6782 -61.6127 62.1014 -177.7184 -58.191 -59.6911 60.4891 -179.9835 178.4711 -61.3487 58.1787 179.512 -0.3644 -0.5803 179.5433 -0.0518 179.3343 -178.1363 1.2498 -179.2964 0.4093 0.5796 -179.7147 179.603 -0.1003 0.2136 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0455594016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.0503,-.2476,2.7189;-4.251,2.3896,.9241;-1.3162,-3.5316,.0532;1.7743,.2779,-1.3779;1.5186,-.8231,-.1948;1.4257,1.6742,-.7225;3.3638,.2823,-1.4174;1.0443,-.0118,-2.6154;-.856,-.4722,.185;.2722,-1.3872,-.0759;2.0086,2.15,.4985;4.0938,-.4997,-2.3718;-1.0386,.1175,1.4306;-1.7515,-.1563,-.8308;1.1246,3.2385,1.0554;3.9541,-1.9907,-2.1566;-2.0823,.9947,1.6718;-2.8009,.7189,-.6162;-2.9548,1.2894,.6369;.1677,-2.7048,-.1774;2.1027,1.3349,1.2195;3.0105,2.5299,.287;3.7811,-.2261,-3.3813;5.1307,-.19,-2.2474;-1.6073,-.5942,-1.8085;1.0354,4.0743,.3625;.1253,2.8632,1.2715;1.5532,3.6143,1.9845;2.947,-2.3386,-2.3866;4.6407,-2.5143,-2.8228;4.199,-2.271,-1.1326;-2.2132,1.4374,2.6487;-3.4863,.96,-1.4158;1.0213,-3.3344,-.3881; 0.000000 5.355119 0.000000 4.444997 6.665725 0.000000 4.475752 6.786943 5.109868 0.000000 3.313120 6.697882 3.928488 1.636281 0.000000 4.174721 5.953830 5.934605 1.581393 2.554156 0.000000 5.326269 8.240663 6.213692 1.590015 2.474160 2.485264 0.000000 5.431314 6.807028 5.008229 1.465661 2.596690 2.563451 2.627097 0.000000 2.700503 4.501386 3.096569 3.150162 2.430210 3.261395 4.576387 3.415483 0.000000 3.026360 5.976984 2.671681 2.593081 1.373212 3.334818 3.760928 2.989567 1.475882 0.000000 3.809689 6.278629 6.597962 2.661006 3.092000 1.434244 2.999311 3.911534 3.896204 3.982106 0.000000 6.506061 9.425849 6.658866 2.640569 3.387582 3.816377 1.433611 3.097844 5.571186 4.545684 4.428074 0.000000 1.725869 3.967208 3.910239 3.978173 3.172665 3.623813 5.245887 4.552580 1.390237 2.500398 3.779613 6.417216 0.000000 3.981896 3.976040 3.516125 3.594313 3.397463 3.668429 5.167482 3.320034 1.390535 2.486120 4.607063 6.054773 2.386919 0.000000 4.009287 5.443829 7.266095 3.886986 4.267927 2.387202 4.457376 4.903697 4.295361 4.837775 1.508764 5.876744 3.815912 4.832719 0.000000 6.484522 9.798053 5.918939 3.241056 3.338238 4.677695 2.461929 3.548730 5.561112 4.271994 5.289624 1.512865 6.499217 6.138171 6.757781 0.000000 2.680996 2.684786 4.867591 4.968657 4.444630 4.301207 6.301620 5.400828 2.422011 3.777775 4.409873 7.531780 1.384540 2.774355 3.962230 7.746434 0.000000 4.492869 2.695669 4.551765 4.659023 4.605744 4.334481 6.231806 4.395051 2.417239 3.764532 5.140192 7.218265 2.767061 1.383174 4.955010 7.439394 2.413898 0.000000 3.965805 1.724277 5.125156 5.238964 5.016521 4.602703 6.720043 5.316377 2.777133 4.252785 5.039371 7.869925 2.382269 2.385818 4.540490 8.142222 1.385280 1.385398 0.000000 3.800048 6.833122 1.714264 3.594250 2.316425 4.588605 4.546972 3.736961 2.482693 1.325597 5.235949 5.009174 3.465005 3.256571 6.144809 4.331763 4.708302 4.552661 5.134860 0.000000 2.994115 6.447426 6.060638 2.823449 2.645448 2.084438 3.106720 4.200076 3.617971 3.526820 1.092335 4.497520 3.375543 4.613312 2.146502 5.087748 4.223105 5.272004 5.091153 4.691958 0.000000 4.731931 7.290721 7.450892 3.061336 3.701422 2.064651 2.842827 4.330137 4.896178 4.793060 1.092139 4.173875 4.849994 5.580497 2.156167 5.224657 5.496447 6.153614 6.102933 5.974850 1.766830 0.000000 7.150709 9.481247 6.978849 2.880132 3.953432 4.028488 2.071142 2.850022 5.855078 4.958487 4.882751 1.091668 6.819290 6.092648 6.224598 2.154864 7.836072 7.201514 7.988479 5.428232 5.140204 4.652553 0.000000 7.104778 10.233691 7.617127 3.498614 4.202532 4.418968 2.008429 4.106743 6.468083 5.454651 4.771068 1.089266 7.189029 7.026551 6.221875 2.152870 8.293990 8.148374 8.711056 5.936324 4.849057 4.279741 1.763038 0.000000 4.833771 4.833180 3.489753 3.518667 3.525285 3.940104 5.062900 2.832242 2.133843 2.676497 5.091977 5.729637 3.364813 1.080945 5.509595 5.744637 3.855183 2.137887 3.368054 3.204018 5.162808 5.956112 5.625353 6.764340 0.000000 5.020128 5.576724 7.967095 4.241188 4.952633 2.662693 4.792571 5.056109 4.927435 5.531984 2.160623 6.144211 4.593330 5.204728 1.089298 7.186674 4.573676 5.189749 4.873696 6.855685 3.062340 2.508322 6.328408 6.462709 5.787268 0.000000 3.431836 4.415518 6.667463 4.052483 4.204791 2.660999 4.937558 4.921251 3.642586 4.461304 2.157093 6.350745 2.986438 4.130342 1.089162 7.069095 2.919769 4.089452 3.516605 5.753587 2.499737 3.066714 6.675197 6.838033 4.943913 1.766756 0.000000 4.208549 6.026017 7.938908 4.741992 4.943785 3.332876 5.094475 5.879368 5.073644 5.558872 2.135321 6.508225 4.387661 5.750187 1.089994 7.370801 4.491882 5.839900 5.248154 6.820854 2.466342 2.486191 6.964541 6.721606 6.487476 1.763702 1.763918 0.000000 6.231367 9.226507 5.054800 3.039514 3.023449 4.602833 2.825204 3.014397 4.955746 3.660491 5.417772 2.167175 6.040601 5.409187 6.802412 1.090040 7.271540 6.746921 7.558802 3.569232 5.216448 5.554648 2.479417 3.066582 4.911111 7.234403 6.957205 7.515716 0.000000 7.544624 10.823634 6.692652 4.254486 4.417543 5.682543 3.380309 4.386315 6.590232 5.282046 6.302016 2.135670 7.567901 7.098552 7.778094 1.090637 8.815539 8.408355 9.172248 5.200260 6.131746 6.145930 2.507275 2.444050 6.614662 8.158053 8.128376 8.378713 1.757792 0.000000 6.011646 9.866800 5.780332 3.526524 3.187546 4.839832 2.701467 4.153913 5.524892 4.161372 5.196526 2.164329 6.301360 6.322318 6.677874 1.089594 7.614701 7.629163 8.184388 4.165530 4.788436 5.145516 3.068078 2.538017 6.081252 7.246110 6.981035 7.166102 1.773309 1.763911 0.000000 2.822657 2.834361 5.677286 5.784282 5.207812 4.966140 6.997865 6.357880 3.399771 4.645322 4.791110 8.290695 2.146036 3.854858 4.113848 8.536875 1.080516 3.394226 2.149217 5.550960 4.547528 5.835913 8.663737 8.975096 4.935694 4.767968 3.065619 4.400641 8.138805 9.619242 8.316619 0.000000 5.573275 2.846734 5.200086 5.304700 5.451492 5.011814 6.883490 4.786408 3.395876 4.629394 5.939234 7.778287 3.847481 2.144209 5.706061 8.038319 3.391952 1.080436 2.145836 5.321267 6.190483 6.897237 7.621363 8.733005 2.469869 5.771230 4.887461 6.633526 7.294536 8.949781 8.341624 4.285877 0.000000 4.486079 7.892001 2.386983 3.820347 2.567303 5.035990 4.430189 4.000151 3.470565 2.109504 5.642662 4.627130 4.412089 4.240858 6.730348 3.678917 5.711076 5.575866 6.183816 1.081403 5.055268 6.229128 5.122207 5.498241 4.054096 7.446606 6.478215 7.361792 2.948563 4.438543 3.432554 6.515676 6.310005 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.0445,.1807,2.5747;4.8484,-.8672,-1.0459;.239,3.8028,.1273;-1.9254,-.7623,-.6381;-1.5524,.3289,.5226;-.9605,-1.9875,-.376;-3.3267,-1.2812,-.0945;-1.8604,-.2174,-1.9972;.7704,.7572,-.0492;-.5804,1.2635,.2625;-.8502,-2.6603,.8858;-4.5655,-.7524,-.5854;1.5912,.2245,.9383;1.2418,.7773,-1.3573;.4543,-3.418,.9088;-4.788,.6966,-.2119;2.8496,-.2728,.6451;2.4941,.2844,-1.6766;3.2873,-.2397,-.6688;-.9087,2.5459,.3316;-.8824,-1.94,1.7064;-1.6985,-3.3387,.9997;-4.6123,-.8817,-1.6684;-5.3319,-1.3852,-.1396;.604,1.1715,-2.1358;.4993,-4.1601,.1126;1.3035,-2.7448,.7994;.5553,-3.938,1.8614;-4.1002,1.3587,-.738;-5.8008,.9873,-.4933;-4.6782,.8539,.8607;3.4769,-.6759,1.4271;2.846,.301,-2.698;-1.918,2.87,.5457; 0.3260251 0.1801446 0.1490774 -101.56980 -101.56726 -101.56466 -77.20700 -19.18038 -19.16903 -19.16649 -19.09806 -10.26346 -10.25924 -10.25657 -10.24700 -10.24263 -10.23625 -10.21290 -10.20694 -10.20260 -10.19958 -10.17759 -10.17258 -9.48534 -9.48251 -9.47953 -7.24982 -7.24703 -7.24415 -7.24021 -7.23962 -7.23735 -7.23688 -7.23438 -7.23386 -6.68819 -4.85059 -4.85023 -4.84860 -1.12990 -1.07664 -1.06108 -0.98953 -0.93284 -0.89969 -0.89172 -0.84895 -0.79881 -0.78688 -0.77713 -0.76708 -0.74011 -0.68090 -0.65150 -0.64769 -0.63363 -0.61609 -0.58001 -0.56315 -0.54309 -0.52536 -0.51400 -0.50597 -0.50044 -0.49389 -0.48110 -0.47325 -0.46079 -0.45710 -0.45044 -0.43752 -0.43143 -0.42785 -0.41974 -0.40587 -0.40321 -0.39863 -0.39475 -0.39155 -0.38289 -0.37438 -0.37027 -0.36201 -0.34903 -0.34646 -0.33910 -0.33582 -0.32861 -0.32315 -0.32169 -0.31844 -0.31436 -0.27694 -0.26728 -0.25480 -0.04979 -0.04211 -0.01546 -0.00598 -0.00493 0.00234 0.00832 0.01182 0.01593 0.02161 0.02389 0.02854 0.03263 0.04240 0.04386 0.04698 0.05216 0.05736 0.05829 0.06119 0.06411 0.06937 0.07478 0.07928 0.07999 0.08582 0.08675 0.08783 0.09633 0.09907 0.10390 0.10485 0.10939 0.11094 0.11461 0.11505 0.11633 0.11734 0.12266 0.12479 0.12926 0.13087 0.13454 0.13661 0.13770 0.14172 0.14335 0.14585 0.15369 0.15436 0.16298 0.16453 0.16630 0.16947 0.17600 0.18138 0.18247 0.18604 0.18683 0.19064 0.19166 0.19817 0.20283 0.20555 0.20771 0.21084 0.21387 0.21534 0.21913 0.22422 0.22547 0.22911 0.23516 0.23917 0.24145 0.24602 0.24903 0.25066 0.25813 0.26242 0.26288 0.26608 0.26778 0.27135 0.27496 0.28045 0.28455 0.28567 0.28875 0.28969 0.30069 0.30391 0.30770 0.30971 0.31725 0.31901 0.32413 0.32668 0.33389 0.34250 0.35183 0.35648 0.35956 0.36441 0.36945 0.37104 0.37688 0.38493 0.39954 0.40150 0.41402 0.41535 0.41638 0.42092 0.43706 0.43849 0.44970 0.45960 0.46055 0.46622 0.47719 0.48348 0.48732 0.48860 0.49142 0.49936 0.50460 0.50727 0.51515 0.52079 0.52964 0.53650 0.54472 0.55049 0.55426 0.55548 0.56211 0.57729 0.58275 0.58400 0.59005 0.59758 0.60860 0.61043 0.61364 0.62508 0.62743 0.63701 0.64033 0.64277 0.65173 0.66474 0.66742 0.67790 0.68068 0.68702 0.69486 0.70000 0.70177 0.70787 0.71488 0.71834 0.71996 0.72812 0.73083 0.73764 0.74192 0.74918 0.76452 0.77216 0.77726 0.79849 0.81098 0.82312 0.82975 0.83108 0.84020 0.84952 0.85918 0.86433 0.86899 0.87050 0.87647 0.87945 0.88714 0.89547 0.90814 0.91919 0.92083 0.92515 0.92758 0.93419 0.94411 0.94975 0.95786 0.96433 0.97072 0.98276 0.99505 0.99828 1.01050 1.01094 1.02240 1.03764 1.04576 1.04910 1.06042 1.06690 1.08585 1.08913 1.09601 1.11529 1.12184 1.13233 1.14909 1.15628 1.17804 1.18198 1.19238 1.19742 1.21061 1.21951 1.23510 1.23862 1.24317 1.25846 1.26379 1.27275 1.27711 1.28718 1.30763 1.31500 1.32612 1.33920 1.35606 1.38545 1.39004 1.40686 1.42057 1.44910 1.45258 1.46818 1.47328 1.50314 1.50724 1.52117 1.52695 1.53518 1.54115 1.55101 1.55806 1.56843 1.57025 1.58045 1.58920 1.59582 1.60077 1.61164 1.62249 1.62562 1.63290 1.64292 1.65591 1.66306 1.67011 1.68131 1.69316 1.69897 1.70458 1.72803 1.74123 1.75353 1.75595 1.76679 1.77065 1.79337 1.80544 1.82349 1.82921 1.85422 1.85863 1.86373 1.86911 1.88111 1.89934 1.91496 1.91981 1.93408 1.94738 1.95174 1.96719 1.97869 1.98417 2.00539 2.01548 2.02375 2.03781 2.05228 2.05685 2.08443 2.09123 2.10440 2.11220 2.12814 2.16535 2.18304 2.20099 2.21045 2.24808 2.26757 2.27718 2.28535 2.29241 2.29519 2.30775 2.31554 2.33164 2.33411 2.36429 2.38312 2.40068 2.42647 2.43755 2.45079 2.46699 2.48425 2.48694 2.49146 2.50161 2.51964 2.53448 2.54568 2.55837 2.56905 2.58307 2.59094 2.59805 2.61500 2.62555 2.63301 2.63779 2.64803 2.66034 2.66953 2.69447 2.69992 2.71368 2.72219 2.74040 2.75039 2.75588 2.77679 2.78977 2.79663 2.81323 2.81894 2.83573 2.84434 2.84791 2.86311 2.86754 2.87359 2.88516 2.88689 2.89466 2.90680 2.92954 2.93834 2.94357 2.96957 2.99711 3.01420 3.04509 3.08019 3.08264 3.09708 3.11774 3.12263 3.13615 3.15291 3.17406 3.18351 3.19941 3.23507 3.24770 3.28127 3.29901 3.32804 3.36302 3.42064 3.46774 3.49254 3.50212 3.57054 3.59552 3.63862 3.71280 3.79243 3.80990 3.81046 3.81536 3.81821 3.83543 3.84218 3.87152 3.99797 4.02312 4.07085 4.13038 4.15604 4.23003 4.24065 4.27318 4.83371 5.03844 5.07580 5.09982 5.10186 5.11624 5.15977 5.21388 5.25365 5.30288 5.51349 5.54671 5.65201 7.35150 9.78519 9.81364 9.86333 13.98368 14.06276 14.17683 23.50705 23.67002 23.84886 23.86187 23.89896 23.95591 23.97353 23.98819 24.03403 24.08047 24.16191 24.24464 25.85895 25.89584 26.02984 26.05765 26.12767 26.30709 26.53821 26.66171 26.87026 49.91159 49.91459 49.96016 49.97094 163.46280 215.77772 215.80872 215.87282 1-A. -2.2887 -1.3315 1.6813 3.1365 -132.0668 -144.2539 -149.7588 -1.1650 -2.5519 -5.2465 9.9597 -2.2274 -7.7323 -1.1650 -2.5519 -5.2465 -131.0825 -36.9329 7.8917 -17.2280 0.0688 -1.0706 11.6805 -3.5280 9.8406 -6.5545 -5487.0810 -2769.1492 -1303.3435 23.4206 97.9775 21.3887 -16.9301 -55.5136 -10.9507 -1429.0447 -1198.3577 -678.7976 6.7039 -5.4396 9.2027 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; 0.000000 5.406889 0.000000 4.442231 6.830161 0.000000 4.605267 6.812768 5.198417 0.000000 3.412528 6.728833 3.971048 1.650158 0.000000 4.327071 5.883952 5.990387 1.586110 2.582212 0.000000 5.392202 8.214580 6.307837 1.593825 2.483590 2.485474 0.000000 5.593663 6.935992 5.131733 1.472062 2.605449 2.570201 2.644369 0.000000 2.740361 4.541643 3.167957 3.196542 2.445935 3.252348 4.599069 3.528272 0.000000 3.077461 6.023034 2.703783 2.644446 1.395162 3.356558 3.810868 3.062065 1.482440 0.000000 3.856521 6.072478 6.589308 2.676298 3.101121 1.459397 3.013037 3.936425 3.794543 3.952196 0.000000 6.240783 9.433021 6.485087 2.662167 3.118334 3.887511 1.459233 3.277684 5.459641 4.359306 4.410461 0.000000 1.755954 4.002787 3.956564 4.046557 3.213540 3.663572 5.263537 4.684460 1.398280 2.519051 3.690911 6.251633 0.000000 4.027721 4.012422 3.657191 3.590229 3.384541 3.567508 5.161045 3.405406 1.398436 2.492657 4.437057 6.052178 2.400000 0.000000 4.190045 5.200441 7.312263 3.903876 4.328481 2.393853 4.453896 4.920260 4.246333 4.861180 1.512973 5.884019 3.813745 4.666648 0.000000 5.938926 9.924840 6.407583 3.545003 3.304673 4.662802 2.439218 4.407672 5.744933 4.501117 4.822213 1.516748 6.351995 6.615783 6.333501 0.000000 2.705796 2.713951 4.948329 5.018332 4.475990 4.301954 6.294605 5.533529 2.434901 3.799963 4.265882 7.411917 1.390598 2.789343 3.872326 7.621987 0.000000 4.537602 2.725532 4.710370 4.647192 4.596838 4.211473 6.201912 4.482720 2.430117 3.778700 4.925584 7.237172 2.781846 1.389541 4.716012 7.841197 2.428033 0.000000 3.998244 1.754402 5.251276 5.250623 5.022875 4.526173 6.688865 5.426638 2.787280 4.268871 4.833982 7.827811 2.390202 2.394051 4.329332 8.267981 1.391133 1.391232 0.000000 3.820844 6.920630 1.739914 3.637127 2.325204 4.609155 4.605175 3.791965 2.510258 1.328790 5.215709 4.772316 3.488704 3.311733 6.176964 4.720685 4.748916 4.617290 5.188646 0.000000 2.926974 6.139391 5.958768 2.826762 2.625468 2.085847 3.166620 4.191184 3.395711 3.416909 1.092435 4.386870 3.142202 4.344176 2.167416 4.480611 3.942709 4.958494 4.770472 4.605932 0.000000 4.700295 7.104496 7.399774 3.029165 3.638156 2.073387 2.786922 4.330909 4.777984 4.718465 1.092395 4.128363 4.734309 5.421700 2.175687 4.538536 5.346337 5.963295 5.914788 5.903015 1.778695 0.000000 6.482724 9.390699 5.986359 2.704245 3.136108 4.173382 2.091121 2.837165 5.306545 4.137437 4.967970 1.093292 6.296158 5.747436 6.386669 2.179071 7.467668 7.000846 7.754314 4.359879 4.938349 4.868944 0.000000 7.195917 10.195443 7.545777 3.418591 4.139139 4.454598 2.035573 3.908099 6.421682 5.399145 4.941713 1.090418 7.192960 6.924562 6.364457 2.172845 8.288579 8.048367 8.653582 5.843703 5.081467 4.459484 1.769136 0.000000 4.877926 4.873452 3.652704 3.477724 3.486716 3.800661 5.047772 2.869123 2.138336 2.672606 4.918366 5.778595 3.376873 1.082713 5.324809 6.486700 3.871705 2.148439 3.380389 3.261656 4.910996 5.793514 5.303594 6.610717 0.000000 5.235072 5.457217 8.044947 4.223660 4.988997 2.645936 4.725047 5.050558 4.934100 5.566615 2.156159 6.182174 4.669187 5.100228 1.091783 6.833695 4.603061 5.036555 4.781735 6.892688 3.072860 2.515328 6.665356 6.518761 5.639023 0.000000 3.729409 4.135749 6.736092 4.067497 4.295641 2.645293 4.945046 4.916841 3.607228 4.507472 2.152440 6.343284 3.045907 3.930270 1.091393 6.782555 2.865218 3.793780 3.269317 5.810997 2.503268 3.075751 6.700853 6.944420 4.719057 1.773729 0.000000 4.315513 5.676943 7.949090 4.768652 5.002060 3.350819 5.111438 5.904547 4.979356 5.560949 2.144263 6.489469 4.306851 5.550719 1.093413 6.750730 4.300359 5.551851 4.955069 6.836015 2.507912 2.521246 7.104455 6.942439 6.285548 1.775301 1.774878 0.000000 5.079956 9.305236 5.450490 3.371264 2.639889 4.506232 2.717292 4.277340 4.992601 3.682640 4.643806 2.158304 5.567778 5.979014 6.116014 1.091087 6.895401 7.231402 7.610296 3.799996 4.102215 4.587992 2.525999 3.075260 5.924653 6.749296 6.417078 6.530726 0.000000 6.846193 10.905155 6.869303 4.471104 4.205786 5.693412 3.384804 5.128576 6.613027 5.275709 5.912775 2.148832 7.287649 7.451453 7.424868 1.093882 8.592270 8.729163 9.221243 5.267598 5.564839 5.603468 2.518614 2.517719 7.230191 7.905399 7.864625 7.839375 1.777577 0.000000 5.987888 10.133880 7.139819 3.977960 3.793756 4.782361 2.684574 5.055818 6.181145 5.074191 4.636037 2.157040 6.585120 7.130766 6.112546 1.092174 7.796950 8.263408 8.541786 5.451066 4.297717 4.170571 3.080215 2.508403 7.127916 6.621186 6.690733 6.376018 1.772839 1.773541 0.000000 2.837820 2.857810 5.740534 5.843751 5.248827 4.995360 6.990173 6.495508 3.413384 4.670092 4.672205 8.138599 2.152601 3.870332 4.071600 8.236906 1.080994 3.408321 2.156139 5.587077 4.296277 5.699499 8.293169 8.997497 4.952686 4.851480 3.099962 4.234720 7.504105 9.225969 8.297664 0.000000 5.619098 2.866774 5.386945 5.272393 5.434171 4.852382 6.841563 4.854569 3.411952 4.645885 5.701428 7.857134 3.863441 2.154468 5.414119 8.596774 3.404898 1.081666 2.150534 5.397760 5.868181 6.690797 7.541134 8.603481 2.488416 5.551004 4.525094 6.297379 8.049100 9.455065 9.063672 4.298044 0.000000 4.515552 7.970348 2.403397 3.838140 2.562669 5.048848 4.481827 4.001369 3.491465 2.112066 5.640590 4.319706 4.436320 4.279653 6.775916 4.110090 5.748750 5.625622 6.228276 1.080602 5.020049 6.165669 3.848372 5.378769 4.090611 7.474592 6.550609 7.406600 3.196636 4.481781 4.943332 6.552212 6.369726 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8451,.4729,2.5925;4.911,-1.0228,-.6427;.201,3.9,-.1595;-1.894,-.8022,-.8831;-1.611,.3875,.2249;-.8936,-1.9784,-.5206;-3.2918,-1.3491,-.3471;-1.7948,-.3288,-2.2734;.7763,.7849,-.1292;-.5981,1.3226,.0107;-.7834,-2.541,.8215;-4.5082,-.5493,-.448;1.5137,.3439,.974;1.346,.6557,-1.3998;.5049,-3.3327,.8725;-4.8322,.0774,.8947;2.7844,-.2026,.8306;2.6111,.1072,-1.5713;3.3162,-.3174,-.4497;-.9509,2.6033,-.0218;-.7818,-1.724,1.5467;-1.6611,-3.1681,.9942;-4.381,.2003,-1.2336;-5.2812,-1.2493,-.7665;.7658,.9655,-2.2598;.495,-4.1343,.1314;1.3592,-2.6833,.6735;.6257,-3.7752,1.8651;-4.0341,.7528,1.2067;-5.7662,.6421,.8229;-4.9529,-.6947,1.6577;3.343,-.5317,1.6956;3.0402,.001,-2.5585;-1.9816,2.9177,.0582; 0.3184959 0.1790888 0.1480249 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= 569 569 569 569 569 MxSgAt= 34 MxSgA2= 34. 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= 556 RedAO= T EigKep= 1.32D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 9.50D-07 NBFU= 554 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= 568 568 568 568 568 MxSgAt= 34 MxSgA2= 34. 1 -9.00429077e-01 -5.23842734e-01 6.61475344e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 17 17 17 15 8 8 8 8 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 0.008483117 -0.002180545 0.011747551 -0.010862012 0.009191226 0.002350567 -0.010435372 -0.008132732 0.001725385 0.003234386 0.002796422 0.002489016 0.010648575 0.001589442 0.000832038 -0.005385384 0.000250675 -0.005786551 -0.001484046 0.005891354 0.004650470 -0.003575901 -0.001014090 -0.007801259 0.000884374 -0.000539351 -0.001558759 -0.009850455 -0.004013490 0.001494864 0.005963252 0.004358492 0.011048330 0.008622030 -0.004815443 -0.007947392 -0.003287866 0.001945884 -0.003242341 -0.000941708 -0.001786414 -0.005004322 -0.002477101 0.002593089 0.001112715 -0.000169188 -0.004269598 0.000285109 -0.000588727 0.002212367 0.004786168 -0.002393536 0.000256979 -0.004838606 0.004682144 -0.003868917 -0.000865139 0.010260179 -0.000340545 -0.001976988 -0.000972412 -0.002658065 -0.001368156 0.000945430 -0.000476847 -0.002081207 -0.001772255 0.001255189 -0.000493701 0.000635426 0.001096500 0.001152815 0.000969106 -0.000399202 -0.000871534 0.000115142 0.000737658 -0.002173169 -0.001397778 -0.001557148 -0.000406054 0.001249954 0.000637396 0.002112178 -0.001825743 0.000210899 0.000276772 0.001421579 -0.000738008 -0.001651592 0.000155818 0.000576673 0.001967465 -0.000012837 0.000230470 0.000527529 -0.000875645 0.000607452 -0.000478896 0.000037455 0.000352229 -0.000013306 0.011747551 0.004131255 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2488.97246265821 -2488.97246450138 -0.000001843167 -2488.97246448508 0.000000016297 -2488.97246452403 -0.000000038950 -2488.97246452549 -0.000000001462 -2488.97246452597 -0.000000000481 -2488.97246452599 -0.000000000013 -2488.97246452582 0.000000000166 -2488.97246452582 0.000000000002 -2488.97246453 9 2.482154026622e+03 -1.048605412810e+04 3.213946183637e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7549747200 LenX= 7549072822 LenY= 7548740470 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) PT74654.400S 2024-09-19T23:20:14.000 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 Cl Cl Cl P O O O O 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 0.130271 0.450783 0.210999 0.259835 -0.022587 -0.019476 -0.104886 -0.098867 1.289128 -1.015180 -0.151793 -0.304206 0.113413 -0.985741 -0.666985 -0.360983 -0.112051 -0.869553 0.509245 -0.605460 0.183249 0.180645 0.187863 0.163660 0.170197 0.155866 0.178469 0.150623 0.171299 0.146929 0.159058 0.159679 0.153775 0.192783 -0.00000 -101.57245 -101.56921 -101.56686 -77.20713 -19.18114 -19.16926 -19.16654 -19.09662 -10.26917 -10.26640 -10.26307 -10.25054 -10.24518 -10.24217 -10.22088 -10.21321 -10.20871 -10.20587 -10.17958 -10.17574 -9.48726 -9.48380 -9.48111 -7.25188 -7.24845 -7.24586 -7.24212 -7.24159 -7.23863 -7.23821 -7.23595 -7.23547 -6.68759 -4.85028 -4.84973 -4.84776 -1.12232 -1.06827 -1.05396 -0.98469 -0.92951 -0.89432 -0.88679 -0.84828 -0.79814 -0.78789 -0.77720 -0.76976 -0.74278 -0.67280 -0.64957 -0.64886 -0.63657 -0.61897 -0.58112 -0.56027 -0.54666 -0.52512 -0.51451 -0.50212 -0.49821 -0.49079 -0.48188 -0.47326 -0.46016 -0.45861 -0.43837 -0.43617 -0.42969 -0.42757 -0.41847 -0.41000 -0.40264 -0.39973 -0.39597 -0.39245 -0.38174 -0.37417 -0.36833 -0.36133 -0.35181 -0.34983 -0.33982 -0.33753 -0.33055 -0.32656 -0.32552 -0.31787 -0.30926 -0.28040 -0.27072 -0.26003 -0.05390 -0.04712 -0.02221 -0.01516 -0.00765 0.00063 0.00563 0.01093 0.01273 0.01843 0.02268 0.02451 0.03013 0.03626 0.04188 0.04813 0.05033 0.05225 0.05615 0.06175 0.06448 0.06860 0.06983 0.07434 0.07628 0.08114 0.08389 0.08645 0.08796 0.09731 0.09802 0.10369 0.10601 0.10764 0.10866 0.11334 0.11524 0.11998 0.12333 0.12425 0.12528 0.13036 0.13152 0.13381 0.13636 0.13690 0.13994 0.14648 0.15021 0.15259 0.15779 0.16337 0.16829 0.17143 0.17380 0.17610 0.17841 0.18278 0.18473 0.18663 0.18779 0.19426 0.19810 0.19852 0.20435 0.21088 0.21246 0.21490 0.21851 0.22063 0.22383 0.22531 0.22863 0.23301 0.23798 0.24293 0.24391 0.24537 0.25108 0.25839 0.26117 0.26175 0.26544 0.26803 0.27280 0.27502 0.28242 0.28631 0.28758 0.29524 0.29874 0.30172 0.30800 0.31134 0.31342 0.32142 0.32568 0.32781 0.33001 0.33639 0.34380 0.34972 0.35256 0.35710 0.36943 0.37610 0.38054 0.38764 0.39951 0.40241 0.40676 0.41268 0.41671 0.42401 0.42980 0.43509 0.44963 0.45285 0.45705 0.47037 0.47788 0.48030 0.48301 0.48795 0.49359 0.49442 0.50161 0.50758 0.51023 0.51550 0.52738 0.53232 0.53766 0.54500 0.54790 0.55384 0.56056 0.56875 0.57032 0.57739 0.58199 0.59523 0.59974 0.60448 0.61100 0.61282 0.62814 0.63575 0.64318 0.64665 0.65156 0.65708 0.66064 0.67455 0.67628 0.68049 0.68426 0.68913 0.69088 0.70280 0.70818 0.71092 0.71321 0.72045 0.72657 0.73045 0.74109 0.74775 0.76107 0.76949 0.76996 0.78789 0.80648 0.81414 0.82287 0.83331 0.84338 0.85088 0.85481 0.86356 0.86553 0.86883 0.87270 0.87889 0.88270 0.88948 0.89579 0.90885 0.92199 0.92576 0.93016 0.93848 0.94296 0.94706 0.95275 0.95494 0.96305 0.97672 0.98117 0.99707 1.00563 1.01017 1.01799 1.02276 1.03798 1.05016 1.05745 1.06148 1.08270 1.08605 1.09180 1.11158 1.11626 1.12512 1.14466 1.15772 1.17230 1.17891 1.18935 1.19996 1.20955 1.22069 1.22421 1.22916 1.23587 1.24084 1.25070 1.26059 1.26954 1.29747 1.30015 1.30869 1.32484 1.33341 1.35553 1.37150 1.38269 1.40695 1.41828 1.43162 1.44411 1.46153 1.47756 1.49086 1.50575 1.51787 1.52316 1.53428 1.53814 1.54441 1.54912 1.55955 1.56387 1.56741 1.57406 1.58292 1.59510 1.60315 1.61728 1.62120 1.62972 1.64386 1.64737 1.65199 1.66753 1.67276 1.68447 1.69809 1.70705 1.72407 1.73489 1.74783 1.75057 1.76263 1.76729 1.78551 1.81254 1.81595 1.82648 1.83095 1.84885 1.86350 1.87037 1.87592 1.88210 1.90318 1.90581 1.93304 1.93935 1.94302 1.95789 1.96773 1.96872 1.99157 2.00348 2.01639 2.03390 2.04579 2.05974 2.07041 2.07360 2.10237 2.10960 2.12023 2.15645 2.16903 2.18346 2.19261 2.23844 2.26812 2.26991 2.28448 2.28750 2.29247 2.30972 2.31089 2.31861 2.32997 2.35071 2.37460 2.38873 2.40895 2.43069 2.45405 2.46847 2.46922 2.48108 2.48551 2.48668 2.51471 2.52300 2.53291 2.56699 2.57425 2.57831 2.58404 2.58650 2.61642 2.61841 2.62526 2.63658 2.64698 2.65700 2.66542 2.67976 2.68915 2.70791 2.71846 2.73073 2.73855 2.74974 2.76316 2.77805 2.78803 2.80292 2.81844 2.82546 2.83282 2.83888 2.84021 2.84868 2.85708 2.87018 2.88119 2.89357 2.90189 2.92333 2.93074 2.94638 2.95596 2.98636 2.99768 3.03181 3.05581 3.06846 3.08787 3.10016 3.10233 3.12174 3.12494 3.14659 3.16271 3.17591 3.21894 3.22408 3.26421 3.27945 3.29955 3.34739 3.40225 3.45683 3.48006 3.48940 3.55107 3.57877 3.62878 3.69547 3.79357 3.79539 3.80135 3.80546 3.81194 3.81521 3.82863 3.85814 3.96735 4.00440 4.06327 4.12503 4.15372 4.21061 4.22576 4.26222 4.81548 5.05500 5.06666 5.08794 5.10155 5.11240 5.15021 5.19484 5.26202 5.29097 5.47238 5.50597 5.62657 7.33944 9.77216 9.79689 9.84469 13.98420 14.04255 14.16735 23.50779 23.66046 23.82702 23.84913 23.87988 23.93216 23.95869 23.97734 24.00579 24.05463 24.13404 24.22133 25.86354 25.88677 26.01006 26.04219 26.11714 26.28125 26.51607 26.65246 26.83334 49.90768 49.91651 49.95160 49.97239 163.44398 215.76373 215.79017 215.85169 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 Cl Cl Cl P O O O O 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 0.187376 0.466930 0.200914 0.239062 -0.115189 -0.032361 -0.151762 -0.079639 1.198184 -0.856540 -0.108073 -0.153732 0.110340 -0.976414 -0.666299 -0.448022 -0.222736 -0.884431 0.542052 -0.622612 0.175073 0.184499 0.190606 0.171683 0.177193 0.158728 0.181944 0.153262 0.164076 0.146845 0.151668 0.164110 0.157657 0.195606 -0.00000 -8.20130824e-01 -4.13578988e-01 9.57808255e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.0846 -1.0512 2.4345 3.3730 -132.5689 -146.0675 -151.6583 -2.2767 -5.3241 -6.0191 10.8627 -2.6360 -8.2267 -2.2767 -5.3241 -6.0191 -130.5097 -34.1387 14.2976 -16.0849 5.9992 4.2241 18.8872 -3.3959 9.8260 -0.9830 -5544.6299 -2805.4621 -1374.1871 9.0580 61.3859 13.5526 -10.5358 -62.7252 -9.6240 -1442.1848 -1206.6421 -696.5584 -2.8874 -0.4979 2.6032 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2488.9724645 5.411E-9 4.246E-6 7.5408422,-1.2943596,-6.2464826,-3.1705148,-1.0658135,5.6417815 C01 [X(C12H14Cl3O4P1)] 1.2168494 -0.0304997 0.5285887 0.000002397 -0.000002564 0.000000971 -0.000003606 0.000004365 0.000001116 0.000002296 0.000002821 -0.000001055 -0.000007439 -0.000002893 0.000013178 0.000005062 0.000012910 -0.000007592 0.000017085 -0.000006317 0.000003879 0.000002247 -0.000002015 0.000007110 0.000000437 -0.000002064 -0.000000357 0.000005013 -0.000001437 0.000005647 -0.000004648 -0.000004783 -0.000001899 -0.000010957 -0.000002329 -0.000012506 0.000002758 0.000001528 -0.000005833 -0.000008088 0.000005075 -0.000006781 -0.000000247 -0.000001323 -0.000002485 -0.000000262 0.000000920 0.000003115 -0.000005161 -0.000002505 -0.000000925 -0.000000363 0.000001429 0.000003126 -0.000002930 0.000004307 0.000002217 0.000007139 -0.000007033 -0.000006381 -0.000003069 -0.000000812 -0.000001427 0.000000802 -0.000001166 0.000000429 0.000001482 0.000000248 0.000003202 -0.000001617 0.000001680 0.000001824 0.000000580 -0.000001616 -0.000001082 0.000000495 0.000000803 -0.000000500 0.000000438 -0.000000823 0.000000296 -0.000000240 0.000000022 0.000000479 0.000000125 -0.000000425 0.000000174 -0.000000190 0.000000374 0.000002655 0.000001789 0.000002392 0.000000580 -0.000001566 0.000000682 0.000002118 -0.000000568 -0.000000321 -0.000001031 0.000001054 0.000000251 -0.000001044 -0.000000248 0.000000620 -0.000001220 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; Gaussian 16 GINC-CABRERA ALCAMI Optimization Chlorfenvinphos CONF202 gas EM64L-G16RevC.01 96 C1[X(C12H14Cl3O4P)] 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; Optimization Chlorfenvinphos CONF202 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 35 35 31 16 16 16 16 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 34.9688527 34.9688527 34.9688527 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 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 14.2400000 14.2400000 14.2400000 12.9400000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 2 3 4 4 4 4 5 6 7 9 9 9 10 11 11 11 12 12 12 13 14 14 15 15 15 16 16 16 17 17 18 18 20 13 19 20 5 6 7 8 10 11 12 10 13 14 20 15 21 22 16 23 24 17 18 25 26 27 28 29 30 31 19 32 19 33 34 1.756 1.7544 1.7399 1.6502 1.5861 1.5938 1.4721 1.3952 1.4594 1.4592 1.4824 1.3983 1.3984 1.3288 1.513 1.0924 1.0924 1.5167 1.0933 1.0904 1.3906 1.3895 1.0827 1.0918 1.0914 1.0934 1.0911 1.0939 1.0922 1.3911 1.081 1.3912 1.0817 1.0806 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 6 6 7 4 4 4 10 10 13 5 5 9 6 6 6 15 15 21 7 7 7 16 16 23 1 1 9 9 9 18 11 11 11 26 26 27 12 12 12 29 29 30 13 13 19 14 14 19 2 2 17 3 3 10 4 4 4 4 4 4 5 6 7 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 6 7 8 7 8 8 10 11 12 13 14 14 9 20 20 15 21 22 21 22 22 16 23 24 23 24 24 9 17 17 18 25 25 26 27 28 27 28 28 29 30 31 30 31 31 19 32 32 19 33 33 17 18 18 10 34 34 105.8427 99.9061 113.0013 102.8164 114.3212 119.1469 120.3074 122.9346 121.3136 121.9332 119.7926 118.2188 116.3887 117.1933 126.4035 107.278 108.7987 107.8201 111.5684 112.2418 108.9992 110.0816 109.1774 105.0286 112.1894 111.8619 108.2213 120.2118 118.1524 121.6358 121.2996 118.4925 120.181 110.7032 110.4298 109.6616 108.6727 108.6665 108.6569 110.6509 109.7329 110.4849 108.888 108.5864 108.4456 118.465 120.6215 120.9135 118.8423 120.8374 120.3175 118.8108 119.6522 121.5363 122.9863 114.8679 122.1324 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 7 8 5 7 8 5 6 8 4 4 4 4 4 4 4 4 13 13 14 14 10 10 14 14 10 10 13 13 5 5 9 9 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 1 1 9 9 9 9 25 25 13 13 32 32 14 14 33 33 4 4 4 4 4 4 4 4 4 5 5 6 6 6 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 18 18 18 18 5 5 5 6 6 6 7 7 7 10 10 11 11 11 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 20 20 20 20 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 10 10 10 11 11 11 12 12 12 9 20 15 21 22 16 23 24 5 20 5 20 1 17 1 17 18 25 18 25 3 34 3 34 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 19 32 19 32 19 33 19 33 2 18 2 18 2 17 2 17 85.6137 -167.909 -40.2284 51.6562 -52.7003 176.6856 69.4662 178.3675 -54.0084 -59.7056 121.5914 -164.2489 -43.4146 74.6621 -101.8507 21.7148 137.5741 -75.9324 102.6343 101.3134 -80.12 -2.3726 177.7216 -179.66 0.4342 -177.458 0.6579 -0.1106 178.0053 175.2869 -3.3144 -3.2696 178.1292 -59.9792 60.4194 -179.8714 -179.0463 -58.6477 61.0614 58.2796 178.6782 -61.6127 62.1014 -177.7184 -58.191 -59.6911 60.4891 -179.9835 178.4711 -61.3487 58.1787 179.512 -0.3644 -0.5803 179.5433 -0.0518 179.3343 -178.1363 1.2498 -179.2964 0.4093 0.5796 -179.7147 179.603 -0.1003 0.2136 -179.4896 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00250 0.00264 0.00271 0.00287 0.00366 0.00490 0.00913 0.01091 0.01640 0.01720 0.01854 0.01943 0.02091 0.02389 0.02503 0.02681 0.02816 0.02899 0.03101 0.04253 0.04383 0.04404 0.04489 0.04492 0.04623 0.04650 0.04753 0.06269 0.06542 0.09538 0.09644 0.10306 0.11283 0.11658 0.11732 0.12095 0.12309 0.12328 0.12442 0.12557 0.12592 0.13025 0.13623 0.13953 0.14428 0.15277 0.15716 0.16036 0.16093 0.16209 0.16648 0.16699 0.17489 0.18372 0.18671 0.19425 0.20709 0.21289 0.22138 0.24188 0.24427 0.25275 0.25821 0.26175 0.27091 0.28864 0.29441 0.30661 0.31401 0.31977 0.32595 0.33160 0.33215 0.33458 0.33541 0.33613 0.33741 0.34245 0.34434 0.34626 0.35109 0.35345 0.36089 0.36286 0.36483 0.36533 0.39426 0.41308 0.41894 0.42873 0.46289 0.46625 0.50199 0.50699 0.63104 0.64968 Angle between quadratic step and forces= 72.26 degrees. 1 2 0.00039973 0.00000009 0.00000003 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 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 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 3.31827 3.31534 3.28796 3.11835 2.99731 3.01189 2.78179 2.63647 2.75786 2.75755 2.80140 2.64237 2.64266 2.51105 2.85910 2.06440 2.06433 2.86624 2.06602 2.06059 2.62785 2.62585 2.04603 2.06317 2.06243 2.06625 2.06186 2.06714 2.06391 2.62886 2.04278 2.62905 2.04405 2.04204 1.84730 1.74369 1.97224 1.79449 1.99528 2.07951 2.09976 2.14561 2.11732 2.12814 2.09078 2.06331 2.03137 2.04541 2.20616 1.87235 1.89890 1.88182 1.94724 1.95899 1.90240 1.92129 1.90551 1.83309 1.95807 1.95236 1.88882 2.09809 2.06215 2.12295 2.11708 2.06808 2.09755 1.93214 1.92736 1.91396 1.89670 1.89659 1.89642 1.93122 1.91520 1.92832 1.90045 1.89519 1.89273 2.06760 2.10524 2.11034 2.07419 2.10901 2.09994 2.07364 2.08832 2.12121 2.14652 2.00482 2.13161 1.49424 -2.93056 -0.70212 0.90157 -0.91979 3.08374 1.21241 3.11310 -0.94262 -1.04206 2.12217 -2.86668 -0.75773 1.30310 -1.77763 0.37899 2.40112 -1.32527 1.79131 1.76825 -1.39836 -0.04141 3.10183 -3.13566 0.00758 -3.09723 0.01148 -0.00193 3.10678 3.05933 -0.05785 -0.05706 3.10894 -1.04683 1.05452 -3.13935 -3.12495 -1.02360 1.06572 1.01717 3.11852 -1.07534 1.08387 -3.10177 -1.01562 -1.04181 1.05573 -3.14131 3.11491 -1.07074 1.01541 3.13308 -0.00636 -0.01013 3.13362 -0.00090 3.12997 -3.10906 0.02181 -3.12931 0.00714 0.01012 -3.13661 3.13466 -0.00175 0.00373 -3.13269 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -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 -0.00001 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 0.00002 0.00003 -0.00002 -0.00006 -0.00004 0.00001 0.00000 0.00002 -0.00007 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00002 -0.00002 0.00009 -0.00007 0.00003 -0.00002 -0.00001 -0.00004 0.00002 0.00002 0.00003 0.00002 0.00002 0.00000 -0.00003 -0.00003 -0.00006 -0.00002 0.00003 0.00002 0.00001 0.00000 -0.00002 0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00002 0.00002 -0.00004 0.00004 -0.00003 -0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00014 0.00013 0.00011 -0.00039 -0.00040 -0.00037 0.00026 0.00028 0.00027 -0.00042 -0.00048 0.00031 0.00034 0.00032 -0.00009 -0.00011 -0.00010 0.00012 0.00018 0.00010 0.00016 -0.00003 -0.00003 -0.00000 -0.00000 0.00004 0.00003 0.00001 0.00001 0.00001 -0.00001 -0.00006 -0.00007 0.00008 0.00008 0.00009 0.00004 0.00004 0.00005 0.00010 0.00010 0.00011 0.00020 0.00028 0.00026 0.00025 0.00033 0.00031 0.00022 0.00029 0.00027 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00003 -0.00002 -0.00006 -0.00004 0.00001 0.00000 0.00002 -0.00007 -0.00000 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00002 -0.00002 0.00009 -0.00007 0.00003 -0.00002 -0.00001 -0.00004 0.00002 0.00002 0.00003 0.00002 0.00002 0.00000 -0.00003 -0.00003 -0.00006 -0.00002 0.00003 0.00002 0.00001 0.00000 -0.00002 0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00002 0.00002 -0.00004 0.00004 -0.00003 -0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00014 0.00013 0.00011 -0.00039 -0.00040 -0.00037 0.00026 0.00028 0.00027 -0.00042 -0.00048 0.00031 0.00034 0.00032 -0.00009 -0.00011 -0.00010 0.00012 0.00018 0.00010 0.00016 -0.00003 -0.00003 -0.00000 -0.00000 0.00004 0.00003 0.00001 0.00001 0.00001 -0.00001 -0.00006 -0.00007 0.00008 0.00008 0.00009 0.00004 0.00004 0.00005 0.00010 0.00010 0.00011 0.00020 0.00028 0.00026 0.00025 0.00033 0.00031 0.00022 0.00029 0.00027 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 3.31829 3.31537 3.28794 3.11829 2.99728 3.01190 2.78180 2.63649 2.75779 2.75755 2.80140 2.64236 2.64267 2.51104 2.85912 2.06440 2.06434 2.86623 2.06602 2.06059 2.62785 2.62586 2.04603 2.06317 2.06243 2.06625 2.06186 2.06713 2.06391 2.62886 2.04278 2.62904 2.04405 2.04204 1.84733 1.74370 1.97224 1.79447 1.99529 2.07949 2.09974 2.14570 2.11725 2.12816 2.09075 2.06330 2.03133 2.04543 2.20618 1.87238 1.89892 1.88183 1.94724 1.95896 1.90236 1.92123 1.90549 1.83313 1.95810 1.95237 1.88882 2.09807 2.06215 2.12296 2.11708 2.06808 2.09756 1.93212 1.92738 1.91395 1.89670 1.89659 1.89642 1.93124 1.91523 1.92828 1.90049 1.89516 1.89273 2.06759 2.10525 2.11035 2.07418 2.10901 2.09995 2.07363 2.08832 2.12123 2.14651 2.00483 2.13161 1.49438 -2.93043 -0.70201 0.90118 -0.92019 3.08338 1.21267 3.11338 -0.94235 -1.04248 2.12169 -2.86638 -0.75739 1.30342 -1.77772 0.37889 2.40102 -1.32515 1.79149 1.76835 -1.39820 -0.04144 3.10180 -3.13566 0.00757 -3.09719 0.01151 -0.00192 3.10679 3.05934 -0.05785 -0.05712 3.10887 -1.04675 1.05460 -3.13925 -3.12491 -1.02355 1.06578 1.01728 3.11863 -1.07523 1.08408 -3.10149 -1.01536 -1.04156 1.05606 -3.14100 3.11513 -1.07044 1.01568 3.13307 -0.00635 -0.01014 3.13363 -0.00091 3.12996 -3.10907 0.02181 -3.12929 0.00716 0.01012 -3.13661 3.13465 -0.00175 0.00372 -3.13269 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000003 0.001701 0.000400 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.520147e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 2 3 4 4 4 4 5 6 7 9 9 9 10 11 11 11 12 12 12 13 14 14 15 15 15 16 16 16 17 17 18 18 20 13 19 20 5 6 7 8 10 11 12 10 13 14 20 15 21 22 16 23 24 17 18 25 26 27 28 29 30 31 19 32 19 33 34 1.756 1.7544 1.7399 1.6502 1.5861 1.5938 1.4721 1.3952 1.4594 1.4592 1.4824 1.3983 1.3984 1.3288 1.513 1.0924 1.0924 1.5167 1.0933 1.0904 1.3906 1.3895 1.0827 1.0918 1.0914 1.0934 1.0911 1.0939 1.0922 1.3911 1.081 1.3912 1.0817 1.0806 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 6 6 7 4 4 4 10 10 13 5 5 9 6 6 6 15 15 21 7 7 7 16 16 23 1 1 9 9 9 18 11 11 11 26 26 27 12 12 12 29 29 30 13 13 19 14 14 19 2 2 17 3 3 10 4 4 4 4 4 4 5 6 7 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 6 7 8 7 8 8 10 11 12 13 14 14 9 20 20 15 21 22 21 22 22 16 23 24 23 24 24 9 17 17 18 25 25 26 27 28 27 28 28 29 30 31 30 31 31 19 32 32 19 33 33 17 18 18 10 34 34 105.8427 99.9061 113.0013 102.8164 114.3212 119.1469 120.3074 122.9346 121.3136 121.9332 119.7926 118.2188 116.3887 117.1933 126.4035 107.278 108.7987 107.8201 111.5684 112.2418 108.9992 110.0816 109.1774 105.0286 112.1894 111.8619 108.2213 120.2118 118.1524 121.6358 121.2996 118.4925 120.181 110.7032 110.4298 109.6616 108.6727 108.6665 108.6569 110.6509 109.7329 110.4849 108.888 108.5864 108.4456 118.465 120.6215 120.9135 118.8423 120.8374 120.3175 118.8108 119.6522 121.5363 122.9863 114.8679 122.1324 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 7 8 5 7 8 5 6 8 4 4 4 4 4 4 4 4 13 13 14 14 10 10 14 14 10 10 13 13 5 5 9 9 6 6 6 21 21 21 22 22 22 7 7 7 23 23 23 24 24 24 1 1 9 9 9 9 25 25 13 13 32 32 14 14 33 4 4 4 4 4 4 4 4 4 5 5 6 6 6 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 18 18 18 5 5 5 6 6 6 7 7 7 10 10 11 11 11 12 12 12 10 10 10 10 13 13 13 13 14 14 14 14 20 20 20 20 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 10 10 10 11 11 11 12 12 12 9 20 15 21 22 16 23 24 5 20 5 20 1 17 1 17 18 25 18 25 3 34 3 34 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 19 32 19 32 19 33 19 33 2 18 2 18 2 17 2 85.6137 -167.909 -40.2284 51.6562 -52.7003 176.6856 69.4662 178.3675 -54.0084 -59.7056 121.5914 -164.2489 -43.4146 74.6621 -101.8507 21.7148 137.5741 -75.9324 102.6343 101.3134 -80.12 -2.3726 177.7216 -179.66 0.4342 -177.458 0.6579 -0.1106 178.0053 175.2869 -3.3144 -3.2696 178.1292 -59.9792 60.4194 -179.8714 -179.0463 -58.6477 61.0614 58.2796 178.6782 -61.6127 62.1014 -177.7184 -58.191 -59.6911 60.4891 -179.9835 178.4711 -61.3487 58.1787 179.512 -0.3644 -0.5803 179.5433 -0.0518 179.3343 -178.1363 1.2498 -179.2964 0.4093 0.5796 -179.7147 179.603 -0.1003 0.2136 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 897 576 92 92 2301.0269896933 34 34 34 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 -0.0455363747 0.000000 5.406889 0.000000 4.442231 6.830161 0.000000 4.605267 6.812768 5.198417 0.000000 3.412528 6.728833 3.971048 1.650158 0.000000 4.327071 5.883952 5.990387 1.586110 2.582212 0.000000 5.392202 8.214580 6.307837 1.593825 2.483590 2.485474 0.000000 5.593663 6.935992 5.131733 1.472062 2.605449 2.570201 2.644369 0.000000 2.740361 4.541643 3.167957 3.196542 2.445935 3.252348 4.599069 3.528272 0.000000 3.077461 6.023034 2.703783 2.644446 1.395162 3.356558 3.810868 3.062065 1.482440 0.000000 3.856521 6.072478 6.589308 2.676298 3.101121 1.459397 3.013037 3.936425 3.794543 3.952196 0.000000 6.240783 9.433021 6.485087 2.662167 3.118334 3.887511 1.459233 3.277684 5.459641 4.359306 4.410461 0.000000 1.755954 4.002787 3.956564 4.046557 3.213540 3.663572 5.263537 4.684460 1.398280 2.519051 3.690911 6.251633 0.000000 4.027721 4.012422 3.657191 3.590229 3.384541 3.567508 5.161045 3.405406 1.398436 2.492657 4.437057 6.052178 2.400000 0.000000 4.190045 5.200441 7.312263 3.903876 4.328481 2.393853 4.453896 4.920260 4.246333 4.861180 1.512973 5.884019 3.813745 4.666648 0.000000 5.938926 9.924840 6.407583 3.545003 3.304673 4.662802 2.439218 4.407672 5.744933 4.501117 4.822213 1.516748 6.351995 6.615783 6.333501 0.000000 2.705796 2.713951 4.948329 5.018332 4.475990 4.301954 6.294605 5.533529 2.434901 3.799963 4.265882 7.411917 1.390598 2.789343 3.872326 7.621987 0.000000 4.537602 2.725532 4.710370 4.647192 4.596838 4.211473 6.201912 4.482720 2.430117 3.778700 4.925584 7.237172 2.781846 1.389541 4.716012 7.841197 2.428033 0.000000 3.998244 1.754402 5.251276 5.250623 5.022875 4.526173 6.688865 5.426638 2.787280 4.268871 4.833982 7.827811 2.390202 2.394051 4.329332 8.267981 1.391133 1.391232 0.000000 3.820844 6.920630 1.739914 3.637127 2.325204 4.609155 4.605175 3.791965 2.510258 1.328790 5.215709 4.772316 3.488704 3.311733 6.176964 4.720685 4.748916 4.617290 5.188646 0.000000 2.926974 6.139391 5.958768 2.826762 2.625468 2.085847 3.166620 4.191184 3.395711 3.416909 1.092435 4.386870 3.142202 4.344176 2.167416 4.480611 3.942709 4.958494 4.770472 4.605932 0.000000 4.700295 7.104496 7.399774 3.029165 3.638156 2.073387 2.786922 4.330909 4.777984 4.718465 1.092395 4.128363 4.734309 5.421700 2.175687 4.538536 5.346337 5.963295 5.914788 5.903015 1.778695 0.000000 6.482724 9.390699 5.986359 2.704245 3.136108 4.173382 2.091121 2.837165 5.306545 4.137437 4.967970 1.093292 6.296158 5.747436 6.386669 2.179071 7.467668 7.000846 7.754314 4.359879 4.938349 4.868944 0.000000 7.195917 10.195443 7.545777 3.418591 4.139139 4.454598 2.035573 3.908099 6.421682 5.399145 4.941713 1.090418 7.192960 6.924562 6.364457 2.172845 8.288579 8.048367 8.653582 5.843703 5.081467 4.459484 1.769136 0.000000 4.877926 4.873452 3.652704 3.477724 3.486716 3.800661 5.047772 2.869123 2.138336 2.672606 4.918366 5.778595 3.376873 1.082713 5.324809 6.486700 3.871705 2.148439 3.380389 3.261656 4.910996 5.793514 5.303594 6.610717 0.000000 5.235072 5.457217 8.044947 4.223660 4.988997 2.645936 4.725047 5.050558 4.934100 5.566615 2.156159 6.182174 4.669187 5.100228 1.091783 6.833695 4.603061 5.036555 4.781735 6.892688 3.072860 2.515328 6.665356 6.518761 5.639023 0.000000 3.729409 4.135749 6.736092 4.067497 4.295641 2.645293 4.945046 4.916841 3.607228 4.507472 2.152440 6.343284 3.045907 3.930270 1.091393 6.782555 2.865218 3.793780 3.269317 5.810997 2.503268 3.075751 6.700853 6.944420 4.719057 1.773729 0.000000 4.315513 5.676943 7.949090 4.768652 5.002060 3.350819 5.111438 5.904547 4.979356 5.560949 2.144263 6.489469 4.306851 5.550719 1.093413 6.750730 4.300359 5.551851 4.955069 6.836015 2.507912 2.521246 7.104455 6.942439 6.285548 1.775301 1.774878 0.000000 5.079956 9.305236 5.450490 3.371264 2.639889 4.506232 2.717292 4.277340 4.992601 3.682640 4.643806 2.158304 5.567778 5.979014 6.116014 1.091087 6.895401 7.231402 7.610296 3.799996 4.102215 4.587992 2.525999 3.075260 5.924653 6.749296 6.417078 6.530726 0.000000 6.846193 10.905155 6.869303 4.471104 4.205786 5.693412 3.384804 5.128576 6.613027 5.275709 5.912775 2.148832 7.287649 7.451453 7.424868 1.093882 8.592270 8.729163 9.221243 5.267598 5.564839 5.603468 2.518614 2.517719 7.230191 7.905399 7.864625 7.839375 1.777577 0.000000 5.987888 10.133880 7.139819 3.977960 3.793756 4.782361 2.684574 5.055818 6.181145 5.074191 4.636037 2.157040 6.585120 7.130766 6.112546 1.092174 7.796950 8.263408 8.541786 5.451066 4.297717 4.170571 3.080215 2.508403 7.127916 6.621186 6.690733 6.376018 1.772839 1.773541 0.000000 2.837820 2.857810 5.740534 5.843751 5.248827 4.995360 6.990173 6.495508 3.413384 4.670092 4.672205 8.138599 2.152601 3.870332 4.071600 8.236906 1.080994 3.408321 2.156139 5.587077 4.296277 5.699499 8.293169 8.997497 4.952686 4.851480 3.099962 4.234720 7.504105 9.225969 8.297664 0.000000 5.619098 2.866774 5.386945 5.272393 5.434171 4.852382 6.841563 4.854569 3.411952 4.645885 5.701428 7.857134 3.863441 2.154468 5.414119 8.596774 3.404898 1.081666 2.150534 5.397760 5.868181 6.690797 7.541134 8.603481 2.488416 5.551004 4.525094 6.297379 8.049100 9.455065 9.063672 4.298044 0.000000 4.515552 7.970348 2.403397 3.838140 2.562669 5.048848 4.481827 4.001369 3.491465 2.112066 5.640590 4.319706 4.436320 4.279653 6.775916 4.110090 5.748750 5.625622 6.228276 1.080602 5.020049 6.165669 3.848372 5.378769 4.090611 7.474592 6.550609 7.406600 3.196636 4.481781 4.943332 6.552212 6.369726 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8451,.4729,2.5925;4.911,-1.0228,-.6427;.201,3.9,-.1595;-1.894,-.8022,-.8831;-1.611,.3875,.2249;-.8936,-1.9784,-.5206;-3.2918,-1.3491,-.3471;-1.7948,-.3288,-2.2734;.7763,.7849,-.1292;-.5981,1.3226,.0107;-.7834,-2.541,.8215;-4.5082,-.5493,-.448;1.5137,.3439,.974;1.346,.6557,-1.3998;.5049,-3.3327,.8725;-4.8322,.0774,.8947;2.7844,-.2026,.8306;2.6111,.1072,-1.5713;3.3162,-.3174,-.4497;-.9509,2.6033,-.0218;-.7818,-1.724,1.5467;-1.6611,-3.1681,.9942;-4.381,.2003,-1.2336;-5.2812,-1.2493,-.7665;.7658,.9655,-2.2598;.495,-4.1343,.1314;1.3592,-2.6833,.6735;.6257,-3.7752,1.8651;-4.0341,.7528,1.2067;-5.7662,.6421,.8229;-4.9529,-.6947,1.6577;3.343,-.5317,1.6956;3.0402,.001,-2.5585;-1.9816,2.9177,.0582; 0.3184959 0.1790888 0.1480249 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= 556 RedAO= T EigKep= 1.32D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 9.50D-07 NBFU= 554 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= 568 568 568 568 568 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 1 1 -2488.97246452583 -2488.97246452603 -0.000000000201 -2488.97246453 2 2.482154026845e+03 -1.048605412842e+04 3.213946183731e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7549747200 LenX= 7549072822 LenY= 7548740470 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= 34. Will process 35 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111 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. 10490 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 7549747200 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 102 IRICut= 255 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= 102 NMatS0= 102 NMatT0= 0 NMatD0= 102 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 79.07% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 105 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 102 vectors produced by pass 0 Test12= 4.25D-14 1.00D-09 XBig12= 2.06D+02 5.08D+00. AX will form 102 AO Fock derivatives at one time. 102 vectors produced by pass 1 Test12= 4.25D-14 1.00D-09 XBig12= 4.86D+01 1.55D+00. 102 vectors produced by pass 2 Test12= 4.25D-14 1.00D-09 XBig12= 5.52D-01 5.88D-02. 102 vectors produced by pass 3 Test12= 4.25D-14 1.00D-09 XBig12= 3.05D-03 4.92D-03. 102 vectors produced by pass 4 Test12= 4.25D-14 1.00D-09 XBig12= 9.50D-06 2.72D-04. 95 vectors produced by pass 5 Test12= 4.25D-14 1.00D-09 XBig12= 1.96D-08 1.22D-05. 45 vectors produced by pass 6 Test12= 4.25D-14 1.00D-09 XBig12= 2.95D-11 4.17D-07. 3 vectors produced by pass 7 Test12= 4.25D-14 1.00D-09 XBig12= 3.74D-14 1.62D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 653 with 105 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 211.57 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 244.725 -22.845 201.754 -10.859 -4.857 188.226 329.301 -35.051 286.112 -17.386 -10.090 315.787 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT21354.100S 2024-09-20T00:04:53.000 -101.57245 -101.56921 -101.56686 -77.20713 -19.18114 -19.16926 -19.16654 -19.09662 -10.26917 -10.26640 -10.26307 -10.25054 -10.24518 -10.24217 -10.22088 -10.21321 -10.20871 -10.20587 -10.17958 -10.17574 -9.48726 -9.48380 -9.48111 -7.25188 -7.24845 -7.24586 -7.24212 -7.24159 -7.23863 -7.23821 -7.23595 -7.23547 -6.68759 -4.85028 -4.84973 -4.84776 -1.12232 -1.06827 -1.05396 -0.98469 -0.92951 -0.89432 -0.88679 -0.84828 -0.79814 -0.78789 -0.77720 -0.76976 -0.74278 -0.67280 -0.64957 -0.64886 -0.63657 -0.61897 -0.58112 -0.56027 -0.54666 -0.52512 -0.51451 -0.50212 -0.49821 -0.49079 -0.48188 -0.47326 -0.46016 -0.45861 -0.43837 -0.43617 -0.42969 -0.42757 -0.41847 -0.41000 -0.40264 -0.39973 -0.39597 -0.39245 -0.38174 -0.37417 -0.36833 -0.36133 -0.35181 -0.34983 -0.33982 -0.33753 -0.33055 -0.32656 -0.32552 -0.31787 -0.30926 -0.28040 -0.27072 -0.26003 -0.05390 -0.04712 -0.02221 -0.01516 -0.00765 0.00063 0.00563 0.01093 0.01273 0.01843 0.02268 0.02451 0.03013 0.03626 0.04188 0.04813 0.05033 0.05225 0.05615 0.06175 0.06448 0.06860 0.06983 0.07434 0.07628 0.08114 0.08389 0.08645 0.08796 0.09731 0.09802 0.10369 0.10601 0.10764 0.10866 0.11334 0.11524 0.11998 0.12333 0.12425 0.12528 0.13036 0.13152 0.13381 0.13636 0.13690 0.13994 0.14648 0.15021 0.15259 0.15779 0.16337 0.16829 0.17143 0.17380 0.17610 0.17841 0.18278 0.18473 0.18663 0.18779 0.19426 0.19810 0.19852 0.20435 0.21088 0.21246 0.21490 0.21851 0.22063 0.22383 0.22531 0.22863 0.23301 0.23798 0.24293 0.24391 0.24537 0.25108 0.25839 0.26117 0.26175 0.26544 0.26803 0.27280 0.27502 0.28242 0.28631 0.28758 0.29524 0.29874 0.30172 0.30800 0.31134 0.31342 0.32142 0.32568 0.32781 0.33001 0.33639 0.34380 0.34972 0.35256 0.35710 0.36943 0.37610 0.38054 0.38764 0.39951 0.40241 0.40676 0.41268 0.41671 0.42401 0.42980 0.43509 0.44963 0.45285 0.45705 0.47037 0.47788 0.48030 0.48301 0.48795 0.49359 0.49442 0.50161 0.50758 0.51023 0.51550 0.52738 0.53232 0.53766 0.54500 0.54790 0.55384 0.56056 0.56875 0.57032 0.57739 0.58199 0.59523 0.59974 0.60448 0.61100 0.61282 0.62814 0.63575 0.64318 0.64665 0.65156 0.65708 0.66064 0.67455 0.67628 0.68049 0.68426 0.68913 0.69088 0.70280 0.70818 0.71092 0.71321 0.72045 0.72657 0.73045 0.74109 0.74775 0.76107 0.76949 0.76996 0.78789 0.80648 0.81414 0.82287 0.83331 0.84338 0.85088 0.85481 0.86356 0.86553 0.86883 0.87270 0.87889 0.88270 0.88948 0.89579 0.90885 0.92199 0.92576 0.93016 0.93848 0.94296 0.94706 0.95275 0.95494 0.96305 0.97672 0.98117 0.99707 1.00563 1.01017 1.01799 1.02276 1.03798 1.05016 1.05745 1.06148 1.08270 1.08605 1.09180 1.11158 1.11626 1.12512 1.14466 1.15772 1.17230 1.17891 1.18935 1.19996 1.20955 1.22069 1.22421 1.22916 1.23587 1.24084 1.25070 1.26059 1.26954 1.29747 1.30015 1.30869 1.32484 1.33341 1.35553 1.37150 1.38269 1.40695 1.41828 1.43162 1.44411 1.46153 1.47756 1.49086 1.50575 1.51787 1.52316 1.53428 1.53814 1.54441 1.54912 1.55955 1.56387 1.56741 1.57406 1.58292 1.59510 1.60315 1.61728 1.62120 1.62972 1.64386 1.64737 1.65199 1.66753 1.67276 1.68447 1.69809 1.70705 1.72407 1.73489 1.74783 1.75057 1.76263 1.76729 1.78551 1.81254 1.81595 1.82648 1.83095 1.84885 1.86350 1.87037 1.87592 1.88210 1.90318 1.90581 1.93304 1.93935 1.94302 1.95789 1.96773 1.96872 1.99157 2.00348 2.01639 2.03390 2.04579 2.05974 2.07041 2.07360 2.10237 2.10960 2.12023 2.15645 2.16903 2.18346 2.19261 2.23844 2.26812 2.26991 2.28448 2.28750 2.29247 2.30972 2.31089 2.31861 2.32997 2.35071 2.37460 2.38873 2.40895 2.43069 2.45405 2.46847 2.46922 2.48108 2.48551 2.48668 2.51471 2.52300 2.53291 2.56699 2.57425 2.57831 2.58404 2.58650 2.61642 2.61841 2.62526 2.63658 2.64698 2.65700 2.66542 2.67976 2.68915 2.70791 2.71846 2.73073 2.73855 2.74974 2.76316 2.77805 2.78803 2.80292 2.81844 2.82546 2.83282 2.83888 2.84021 2.84868 2.85708 2.87018 2.88119 2.89357 2.90189 2.92333 2.93074 2.94638 2.95596 2.98636 2.99768 3.03181 3.05581 3.06846 3.08787 3.10016 3.10233 3.12174 3.12494 3.14659 3.16271 3.17591 3.21894 3.22408 3.26421 3.27945 3.29955 3.34739 3.40225 3.45683 3.48006 3.48940 3.55107 3.57877 3.62878 3.69547 3.79357 3.79539 3.80135 3.80546 3.81194 3.81521 3.82863 3.85814 3.96735 4.00440 4.06327 4.12503 4.15372 4.21061 4.22576 4.26222 4.81548 5.05500 5.06666 5.08794 5.10155 5.11240 5.15021 5.19484 5.26202 5.29097 5.47238 5.50597 5.62657 7.33944 9.77216 9.79689 9.84469 13.98420 14.04255 14.16735 23.50779 23.66046 23.82702 23.84913 23.87988 23.93216 23.95869 23.97734 24.00579 24.05463 24.13404 24.22133 25.86354 25.88677 26.01006 26.04219 26.11714 26.28125 26.51607 26.65246 26.83334 49.90768 49.91651 49.95160 49.97239 163.44398 215.76373 215.79017 215.85169 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 Cl Cl Cl P O O O O 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 0.187376 0.466930 0.200914 0.239062 -0.115189 -0.032361 -0.151762 -0.079639 1.198184 -0.856540 -0.108073 -0.153732 0.110340 -0.976414 -0.666299 -0.448022 -0.222736 -0.884431 0.542052 -0.622612 0.175073 0.184499 0.190606 0.171683 0.177193 0.158728 0.181944 0.153262 0.164076 0.146845 0.151668 0.164110 0.157657 0.195606 -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 Cl Cl Cl P O O O O C C C C C C C C C C C C 0.187376 0.466930 0.200914 0.239062 -0.115189 -0.032361 -0.151762 -0.079639 1.198184 -0.856540 0.251499 0.208557 0.110340 -0.799221 -0.172365 0.014567 -0.058626 -0.726775 0.542052 -0.427006 0.00000 -8.20130784e-01 -4.13578861e-01 9.57808297e-01 2.44724901e+02 -2.28446990e+01 2.01753922e+02 -1.08593765e+01 -4.85737219e+00 1.88225925e+02 -0.0029 -0.0024 -0.0024 1.4212 3.7377 4.6641 13.6780 23.6267 32.6996 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.6439 23.6195 32.6974 36.8479 56.0460 59.5623 73.1710 91.6015 100.6968 117.7754 124.3684 147.3464 175.2962 179.6972 199.5603 219.1550 238.4012 242.3301 269.1667 271.0290 311.9823 320.0766 351.3695 376.7224 393.3395 405.5757 411.9884 432.3301 459.5238 491.9392 530.4603 540.3571 592.3896 619.7599 658.7599 695.6486 720.1182 747.7097 788.4399 808.9699 814.4596 825.2900 831.4270 836.6824 844.2198 880.4328 908.7111 950.3069 979.7427 983.2064 1038.6245 1041.8032 1066.2594 1107.6151 1115.8629 1118.1410 1124.0442 1171.5771 1179.3065 1189.6687 1204.8602 1283.4710 1294.4155 1298.8254 1309.9969 1315.5285 1330.0890 1396.1075 1401.4635 1409.5018 1423.2995 1430.1960 1483.1322 1483.4358 1500.1846 1503.4945 1504.4944 1521.8124 1526.0264 1587.3976 1623.2739 1710.3041 3034.4264 3037.4662 3050.6198 3050.8865 3093.9172 3098.0059 3102.8569 3106.9949 3124.2852 3126.1319 3195.7880 3211.2262 3214.4649 3218.3504 5.2760 7.5927 3.8510 8.3671 6.5865 3.9170 3.2390 5.7657 3.8155 2.4947 7.4559 4.8217 3.4360 5.5090 7.9560 3.3320 3.1526 2.2757 1.6981 2.2227 4.0629 5.1501 8.5066 6.7136 6.3106 11.9604 4.9177 4.4689 4.9723 7.0720 8.7819 8.3381 6.2614 4.6962 4.7042 6.5764 5.2848 4.0698 5.3753 3.0358 6.3812 1.2243 1.1157 1.6183 1.5535 1.4086 5.1520 2.7321 1.3686 3.1762 5.6801 6.2657 4.9379 2.8741 3.4802 2.2970 2.0671 1.4340 1.5302 1.6457 1.6812 1.4357 5.5570 11.4720 1.1472 1.1189 1.9531 1.2283 1.2267 2.9146 1.2916 1.3004 1.0376 1.0385 2.4238 1.0708 1.0479 1.0829 1.0868 7.5642 6.2739 9.7762 1.0359 1.0354 1.0573 1.0627 1.1080 1.1022 1.1022 1.1003 1.1052 1.1046 1.0897 1.0954 1.0931 1.0936 0.0006 0.0025 0.0024 0.0067 0.0122 0.0082 0.0102 0.0285 0.0228 0.0204 0.0679 0.0617 0.0622 0.1048 0.1867 0.0943 0.1056 0.0787 0.0725 0.0962 0.2330 0.3109 0.6188 0.5614 0.5752 1.1592 0.4918 0.4921 0.6186 1.0084 1.4559 1.4344 1.2946 1.0628 1.2028 1.8751 1.6147 1.3406 1.9687 1.1705 2.4940 0.4913 0.4544 0.6675 0.6523 0.6433 2.5066 1.4537 0.7740 1.8090 3.6101 4.0067 3.3077 2.0775 2.5532 1.6920 1.5388 1.1597 1.2539 1.3723 1.4380 1.3934 5.4858 11.4023 1.1599 1.1409 2.0358 1.4106 1.4196 3.4116 1.5416 1.5671 1.3447 1.3465 3.2139 1.4262 1.3974 1.4776 1.4911 11.2301 9.7403 16.8487 5.6201 5.6284 5.7971 5.8281 6.2489 6.2329 6.2520 6.2584 6.3559 6.3603 6.5573 6.6553 6.6545 6.6736 0.9208 0.3488 0.8371 0.5401 0.3403 1.0730 1.2369 1.9773 0.7495 5.0085 0.3221 0.4655 3.7457 0.1143 0.1959 0.1143 1.8347 2.1039 4.2844 3.7308 3.8494 3.1628 0.3318 6.8187 13.3115 7.0417 9.4537 5.7775 3.3630 108.0405 25.2001 13.9418 39.2609 3.3013 7.0242 3.0125 8.1010 13.6746 132.4621 67.3441 28.4360 1.1400 0.6776 32.2207 42.0295 12.7472 228.7288 140.7201 2.8001 130.2641 492.4018 177.3088 88.5550 128.0515 45.1519 14.8740 9.6655 4.4972 6.8212 26.0598 41.6551 23.4492 172.1872 1.9328 10.9757 15.4250 33.2257 4.8994 1.2956 24.4853 14.3389 10.4426 4.1827 5.6040 62.8413 2.7564 0.5947 4.0238 5.9566 17.5386 68.6764 14.5234 15.2770 14.2154 19.6720 19.9052 3.3897 14.5094 14.1464 15.1367 23.0656 31.6224 0.3291 0.3785 0.7525 10.5919 0.05 -0.02 -0.01 -0.01 0.03 -0.12 -0.00 0.00 0.12 0.04 -0.03 0.02 -0.01 -0.00 0.01 0.00 -0.03 0.12 -0.00 -0.00 -0.04 0.12 -0.07 0.02 -0.01 0.00 -0.01 -0.01 -0.00 0.03 -0.08 0.02 0.15 0.01 -0.00 -0.17 0.02 -0.00 -0.03 -0.04 0.01 -0.02 -0.08 0.02 0.26 -0.08 0.07 -0.23 0.02 0.01 -0.06 -0.04 0.02 -0.06 -0.01 0.02 -0.08 -0.00 0.00 0.08 -0.12 0.04 0.12 -0.09 0.02 0.12 0.07 -0.04 -0.21 0.03 -0.01 -0.19 -0.06 0.01 -0.01 -0.04 -0.01 0.29 -0.07 0.01 0.28 -0.14 0.05 0.28 -0.10 0.09 -0.21 -0.08 0.08 -0.33 -0.14 0.12 -0.20 0.04 0.00 -0.08 -0.06 0.03 -0.07 -0.00 0.00 0.11 0.07 0.24 0.03 -0.10 -0.15 -0.00 0.02 0.01 0.15 0.00 0.01 -0.02 -0.03 0.01 -0.02 0.07 0.05 -0.05 0.04 -0.06 -0.01 -0.04 0.02 -0.02 -0.03 0.00 0.01 -0.02 0.01 0.02 0.16 0.08 -0.05 -0.02 -0.16 -0.07 0.01 0.09 0.02 -0.08 -0.12 -0.00 0.15 0.06 -0.13 -0.07 -0.07 -0.12 -0.01 0.05 0.01 -0.10 -0.16 -0.01 -0.06 -0.08 0.00 -0.01 0.02 0.08 0.23 0.09 -0.06 0.16 0.10 0.04 -0.07 -0.21 -0.13 0.03 -0.24 -0.01 -0.11 -0.18 -0.01 0.07 0.04 -0.11 0.15 0.03 -0.22 0.22 0.08 -0.13 -0.12 0.01 -0.17 -0.11 -0.15 -0.17 -0.01 -0.02 -0.06 0.02 0.11 0.02 -0.14 -0.26 -0.01 -0.00 0.03 0.09 0.03 -0.03 0.03 0.06 0.08 0.01 0.03 -0.05 -0.05 -0.06 0.00 0.05 0.00 -0.02 0.06 -0.04 -0.01 -0.02 -0.04 -0.00 0.09 -0.13 0.03 0.05 0.01 -0.04 0.02 0.01 -0.04 0.03 0.04 -0.02 -0.03 -0.08 -0.08 -0.05 0.02 -0.02 0.02 0.00 -0.04 0.02 0.06 -0.01 -0.12 -0.09 0.21 -0.19 0.04 0.01 0.01 0.01 -0.00 0.01 0.03 0.02 0.01 0.02 -0.03 0.00 0.07 -0.04 -0.02 0.06 -0.04 0.01 -0.13 -0.25 -0.23 -0.05 -0.19 0.13 -0.01 -0.05 0.02 0.03 0.01 -0.13 0.04 0.01 -0.16 0.12 -0.02 -0.13 -0.11 0.32 -0.35 -0.11 0.15 -0.30 -0.04 0.38 -0.01 0.05 0.03 0.01 0.01 0.00 0.01 0.02 -0.02 0.01 0.03 0.11 -0.02 0.12 0.18 0.04 0.13 -0.12 0.13 -0.09 -0.04 -0.08 -0.06 -0.04 -0.09 -0.14 -0.07 -0.05 -0.11 0.03 -0.07 -0.06 -0.07 -0.08 -0.02 -0.11 -0.05 -0.01 -0.08 -0.05 -0.09 0.03 -0.01 -0.05 0.13 0.05 0.02 0.02 -0.02 -0.04 -0.20 -0.05 -0.05 0.10 0.04 0.01 -0.04 0.14 0.06 0.10 0.00 -0.01 -0.13 -0.02 0.05 0.03 0.01 0.05 -0.06 0.03 -0.12 0.08 -0.06 -0.06 -0.00 0.05 -0.00 0.24 0.16 -0.11 0.24 -0.05 -0.08 -0.31 -0.06 -0.01 0.05 0.09 -0.09 0.13 -0.01 -0.02 0.17 0.06 0.07 -0.14 0.23 0.05 0.05 0.24 -0.04 -0.14 0.03 0.10 0.22 0.02 -0.02 -0.19 -0.02 0.07 -0.01 0.05 -0.09 -0.08 -0.04 -0.00 0.04 0.00 0.23 -0.01 0.01 -0.02 0.04 0.02 -0.06 0.12 -0.05 0.08 0.13 0.05 0.05 -0.05 0.09 -0.10 -0.02 -0.01 -0.02 -0.00 -0.04 -0.00 0.06 -0.04 0.00 0.08 0.03 -0.06 -0.23 0.03 -0.05 -0.04 -0.03 0.01 0.04 -0.03 -0.02 0.06 0.07 -0.17 -0.23 0.00 -0.05 -0.03 -0.02 0.01 0.04 -0.02 -0.02 0.01 -0.01 0.10 0.09 -0.03 -0.02 0.06 0.06 -0.02 0.09 -0.03 -0.15 -0.24 0.01 0.05 -0.35 0.04 0.03 0.08 -0.03 0.00 0.07 0.06 0.01 0.04 0.12 -0.07 0.03 0.07 -0.27 -0.10 -0.01 -0.25 -0.36 -0.03 -0.07 -0.22 0.03 -0.07 -0.06 -0.02 0.03 0.08 -0.01 0.13 0.18 -0.03 -0.09 -0.01 -0.06 -0.01 -0.02 0.03 0.00 0.03 0.12 0.00 -0.05 -0.03 -0.01 0.01 -0.09 0.04 -0.01 0.00 0.03 -0.05 0.05 -0.05 -0.11 -0.05 -0.01 0.02 -0.06 -0.01 0.02 -0.07 0.02 0.00 0.01 0.02 -0.06 0.10 -0.04 0.00 -0.04 0.02 0.04 -0.04 0.03 0.01 0.03 0.21 0.21 0.02 -0.04 -0.01 -0.02 0.02 0.03 -0.02 -0.01 0.00 -0.00 -0.01 0.02 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.11 -0.22 -0.08 -0.03 -0.13 0.36 0.05 0.06 -0.05 0.04 0.00 0.04 0.02 0.02 0.04 0.02 0.03 0.04 0.24 0.29 -0.24 0.19 0.18 0.04 0.34 0.37 0.20 -0.07 -0.02 -0.01 0.05 0.04 -0.01 -0.01 0.02 0.01 -0.02 -0.09 0.01 -0.02 -0.04 -0.01 -0.02 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 -0.02 0.00 -0.03 -0.01 -0.02 -0.03 0.02 -0.02 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.05 0.05 0.00 -0.01 0.05 -0.02 -0.00 -0.02 0.01 0.00 -0.00 0.01 0.21 0.32 0.07 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.14 0.07 -0.02 0.17 -0.12 -0.01 0.03 0.08 0.02 -0.02 0.09 -0.06 -0.00 0.01 0.02 0.39 0.27 0.12 0.08 0.48 0.05 0.28 0.40 0.10 0.00 -0.03 0.04 0.01 0.04 0.01 -0.05 -0.02 -0.03 0.00 -0.03 -0.00 -0.01 -0.00 0.00 -0.01 -0.03 -0.01 0.00 -0.02 0.09 -0.06 0.08 -0.06 0.08 -0.09 -0.10 0.04 0.03 -0.03 -0.09 0.01 0.04 0.08 0.07 -0.02 0.04 -0.07 -0.15 0.12 0.11 0.00 -0.08 -0.04 0.09 -0.07 -0.01 0.08 -0.02 0.02 -0.03 0.02 -0.08 0.01 -0.04 -0.02 0.07 -0.14 -0.07 0.06 -0.03 0.02 0.05 0.25 0.06 0.01 -0.04 0.01 0.03 -0.15 -0.06 0.02 -0.09 -0.00 0.01 -0.01 0.00 0.01 -0.08 -0.01 0.00 -0.03 0.01 -0.12 -0.12 -0.16 -0.09 -0.03 -0.12 0.23 -0.19 -0.11 0.08 0.04 0.05 0.01 -0.01 0.03 0.14 -0.11 -0.02 0.04 0.28 0.13 -0.21 0.21 0.00 0.12 0.43 0.13 0.11 0.01 0.04 0.01 -0.19 -0.08 0.01 0.01 0.07 -0.04 0.10 0.00 0.03 0.05 -0.05 0.00 -0.08 0.04 0.00 -0.03 0.03 -0.05 0.03 -0.01 -0.02 -0.01 0.03 -0.08 0.01 -0.03 -0.01 -0.09 0.08 -0.04 0.05 0.00 0.02 0.04 -0.01 0.00 -0.17 0.02 -0.07 -0.07 -0.16 0.04 0.07 0.01 0.02 0.06 -0.00 0.02 -0.14 0.09 0.13 0.02 -0.05 0.01 0.07 0.01 0.01 0.06 -0.01 0.01 0.06 -0.01 0.01 -0.00 -0.02 -0.01 -0.31 0.01 -0.06 -0.16 -0.02 -0.20 -0.24 -0.24 -0.06 -0.04 -0.28 0.22 0.06 -0.00 0.02 0.03 0.09 0.12 -0.14 0.13 0.28 -0.28 0.08 0.14 -0.03 0.09 -0.16 -0.07 -0.18 0.07 0.22 0.03 0.12 0.07 0.01 0.01 0.05 -0.01 0.01 -0.02 -0.07 -0.04 0.06 -0.04 0.06 -0.00 -0.00 -0.02 -0.01 -0.00 -0.01 -0.03 -0.02 -0.05 -0.03 0.00 -0.06 -0.02 0.00 0.00 -0.03 -0.00 -0.03 -0.04 -0.07 -0.06 -0.00 -0.01 0.05 -0.01 -0.01 -0.00 0.10 0.20 0.07 -0.02 0.00 -0.00 0.00 -0.03 0.04 0.01 0.05 0.05 -0.04 -0.02 -0.01 0.01 -0.00 0.01 -0.00 -0.04 0.01 0.02 0.06 0.03 0.01 0.00 0.01 -0.01 -0.01 -0.05 0.36 0.31 -0.06 0.02 0.38 0.32 -0.04 0.01 -0.00 -0.03 0.01 0.01 0.02 0.08 0.05 -0.33 -0.19 0.17 0.04 -0.22 -0.32 0.08 0.18 0.07 0.02 -0.00 -0.01 0.01 -0.00 0.04 0.03 -0.01 0.01 -0.00 -0.07 0.00 0.02 0.11 0.02 -0.02 -0.01 -0.12 0.03 0.12 0.06 -0.10 -0.09 -0.05 0.13 -0.14 -0.02 -0.03 -0.07 -0.02 -0.00 -0.07 -0.02 -0.06 -0.10 -0.03 -0.04 -0.03 -0.01 -0.03 -0.08 -0.02 0.00 0.07 0.06 -0.04 -0.03 0.02 -0.08 -0.14 -0.05 -0.02 0.00 -0.01 0.01 0.08 0.05 0.06 0.27 0.07 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.09 0.03 0.08 0.34 0.05 0.02 0.16 0.02 -0.01 -0.03 -0.03 -0.21 -0.17 -0.01 -0.02 -0.24 -0.13 0.00 0.00 0.00 -0.04 0.03 -0.01 0.09 0.36 0.08 0.16 0.06 -0.06 -0.05 0.12 0.11 -0.01 -0.05 -0.03 0.02 -0.03 0.01 0.02 0.04 0.00 -0.03 0.00 -0.01 0.00 0.02 0.01 0.12 0.45 0.06 0.01 0.05 -0.09 -0.08 0.06 -0.11 0.02 -0.03 0.03 -0.01 -0.10 -0.00 -0.00 0.03 0.03 0.04 -0.09 0.15 -0.05 -0.03 -0.01 -0.03 -0.02 -0.09 0.07 0.20 0.10 0.01 -0.02 -0.08 0.00 -0.06 0.02 0.04 0.13 0.05 -0.06 -0.06 -0.00 -0.01 -0.02 -0.07 0.06 0.05 -0.07 -0.03 0.02 0.03 0.05 -0.03 0.01 -0.01 -0.03 -0.03 0.08 0.08 -0.03 0.03 0.02 -0.02 -0.01 -0.07 0.12 0.19 0.23 -0.06 -0.00 0.24 0.23 -0.16 -0.09 -0.05 -0.06 -0.11 0.10 0.08 0.07 -0.08 -0.22 -0.15 0.22 -0.00 -0.10 -0.25 0.08 0.24 0.12 0.02 0.05 -0.12 -0.01 -0.11 0.09 0.21 -0.01 0.05 -0.05 -0.05 -0.02 0.13 0.14 -0.01 0.00 -0.06 0.28 0.02 -0.05 0.00 -0.00 -0.03 0.02 0.01 0.05 0.00 -0.01 0.01 0.01 -0.03 0.05 -0.02 -0.12 -0.05 0.10 -0.07 0.05 -0.10 0.20 -0.06 -0.00 0.01 0.02 -0.01 0.00 0.03 -0.02 -0.01 -0.07 0.07 -0.15 -0.07 0.03 0.03 0.05 -0.00 0.00 -0.01 -0.01 0.04 -0.01 -0.10 -0.02 -0.02 0.04 0.04 0.09 -0.00 0.00 -0.01 -0.01 0.03 0.04 -0.00 0.02 0.04 -0.03 0.02 -0.09 0.10 0.04 -0.12 0.12 -0.35 -0.10 -0.04 -0.12 -0.17 0.19 -0.02 -0.06 -0.01 0.01 0.05 -0.16 -0.02 0.06 -0.16 0.18 -0.07 -0.15 -0.14 0.22 -0.19 -0.19 -0.29 0.20 0.36 0.01 0.13 0.05 0.12 0.00 -0.02 -0.06 -0.01 0.02 0.04 -0.04 -0.07 -0.13 -0.02 -0.04 -0.08 -0.01 0.01 -0.03 -0.01 0.00 -0.00 -0.00 0.02 -0.03 0.01 0.04 0.02 -0.04 0.02 -0.02 0.03 -0.07 0.03 0.00 0.02 0.05 -0.00 -0.00 -0.01 0.01 0.02 0.07 -0.00 0.05 0.02 -0.01 0.09 0.21 0.02 -0.03 -0.07 -0.01 -0.06 -0.05 0.03 0.01 0.01 -0.01 0.17 0.39 0.04 -0.03 -0.06 -0.01 0.07 0.17 0.01 -0.01 -0.01 0.03 0.11 0.12 -0.05 -0.04 0.17 0.05 0.11 0.03 0.01 0.04 0.05 -0.06 -0.10 -0.22 -0.02 -0.16 -0.11 0.09 0.00 -0.15 -0.04 -0.09 0.02 0.06 0.05 -0.08 0.06 0.07 0.09 -0.07 -0.12 -0.00 -0.04 0.22 0.51 0.05 -0.11 -0.25 -0.03 -0.01 -0.01 0.06 0.24 -0.08 -0.03 -0.03 -0.03 0.25 -0.01 -0.05 -0.01 -0.04 0.01 0.02 -0.14 0.04 0.01 0.07 0.13 0.08 -0.04 -0.07 -0.05 -0.04 0.01 0.02 -0.09 -0.01 -0.11 -0.10 -0.00 -0.03 0.02 0.01 0.03 0.02 0.03 -0.04 -0.05 0.01 -0.13 -0.04 0.04 -0.11 0.01 -0.01 -0.02 0.06 0.00 -0.01 -0.05 0.05 -0.14 0.00 0.10 -0.12 -0.02 0.06 -0.11 -0.06 0.01 0.07 -0.00 -0.06 0.11 0.01 -0.01 -0.06 0.09 0.05 -0.00 -0.04 0.11 -0.08 -0.03 0.05 -0.11 0.09 0.20 -0.25 0.04 0.04 0.27 -0.12 -0.30 -0.14 0.19 -0.19 0.07 0.19 0.21 -0.04 -0.15 -0.02 -0.07 -0.06 0.05 -0.14 0.02 0.15 -0.11 -0.04 0.05 0.19 -0.06 0.03 -0.02 0.06 -0.04 -0.08 -0.04 -0.03 0.02 -0.04 0.02 0.02 -0.10 0.04 -0.00 0.06 0.15 0.11 -0.06 -0.04 -0.07 -0.01 -0.01 0.01 0.00 -0.08 0.02 -0.01 -0.05 -0.01 0.03 0.05 0.06 -0.03 0.02 -0.03 0.03 -0.04 0.02 0.05 -0.03 0.03 0.01 0.00 -0.04 0.04 -0.00 -0.00 0.06 0.00 0.04 0.08 0.03 0.05 0.08 0.01 0.04 -0.00 -0.05 -0.07 0.04 -0.02 0.13 0.02 0.04 0.00 -0.01 0.03 -0.01 -0.07 0.06 -0.03 0.06 -0.05 0.02 0.10 0.33 -0.39 0.07 0.05 0.38 -0.17 -0.44 -0.22 0.13 -0.13 0.03 0.12 0.13 0.02 -0.08 -0.02 -0.04 0.05 0.02 0.06 0.10 0.07 0.06 -0.02 -0.08 -0.13 -0.02 0.01 -0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.08 0.01 -0.00 -0.05 -0.01 -0.01 -0.03 0.04 0.04 -0.01 0.01 0.06 0.02 -0.00 -0.13 -0.09 0.00 -0.02 0.00 0.01 -0.01 0.08 0.02 0.04 -0.01 -0.00 0.05 0.02 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.02 0.02 0.00 -0.01 0.01 0.01 0.02 0.01 0.01 0.00 0.01 0.02 -0.00 0.32 0.03 0.04 -0.01 0.01 0.06 -0.02 -0.02 0.06 0.03 0.02 0.03 0.01 0.01 0.00 0.00 0.06 0.16 -0.17 0.05 0.01 0.25 -0.15 -0.21 -0.08 -0.23 0.27 -0.07 -0.23 -0.26 0.08 0.25 0.02 0.06 -0.00 -0.02 0.01 0.02 0.03 0.01 0.04 -0.00 0.54 -0.01 0.01 0.00 0.02 -0.01 -0.02 0.02 0.09 -0.04 -0.03 -0.01 0.01 -0.02 0.02 -0.00 -0.06 -0.02 0.03 -0.03 -0.08 -0.05 -0.04 -0.03 0.00 0.01 0.00 0.01 0.01 0.03 0.04 -0.04 -0.03 0.02 -0.02 -0.07 -0.03 0.01 0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.03 0.08 -0.04 -0.03 0.01 -0.01 0.01 0.01 -0.00 0.02 0.02 -0.00 0.01 0.06 0.05 0.16 -0.05 -0.04 0.03 -0.02 -0.06 0.02 -0.02 -0.08 -0.05 -0.05 -0.05 0.00 0.02 -0.00 0.00 -0.06 -0.08 0.07 -0.06 0.03 -0.22 0.14 0.15 0.01 0.35 -0.41 0.10 0.35 0.39 -0.09 -0.34 -0.03 -0.09 0.00 -0.01 0.02 0.02 0.00 0.02 0.07 0.06 0.27 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.03 -0.00 -0.02 -0.01 0.03 -0.05 0.03 0.01 0.02 0.04 0.04 -0.02 -0.04 -0.03 -0.10 0.00 0.02 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 -0.02 -0.07 0.00 0.05 0.07 -0.07 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.02 -0.02 0.01 0.07 -0.03 -0.03 0.01 0.01 0.00 0.02 0.02 0.01 0.02 0.01 0.01 0.01 0.01 0.00 -0.07 -0.12 0.06 -0.00 -0.11 -0.08 0.16 0.11 -0.02 0.01 0.16 -0.17 0.01 -0.02 -0.00 -0.04 -0.21 0.21 -0.04 -0.03 -0.26 0.17 0.24 0.11 -0.12 0.25 -0.15 -0.16 -0.38 0.16 0.50 -0.10 -0.03 0.01 0.01 0.01 0.02 0.03 0.01 0.02 0.01 0.01 -0.00 -0.01 0.01 -0.02 0.02 0.01 0.03 0.05 0.00 -0.01 -0.03 0.01 0.09 -0.05 0.03 -0.08 -0.10 -0.01 -0.03 -0.03 -0.04 -0.11 0.03 0.03 0.03 0.06 0.00 0.03 0.02 -0.00 0.04 0.06 0.05 0.01 0.01 -0.07 0.00 0.02 0.01 0.00 0.03 -0.00 0.01 -0.00 0.02 0.07 -0.05 -0.03 -0.02 -0.01 -0.00 -0.03 -0.04 -0.01 -0.03 -0.03 -0.01 0.02 0.03 -0.02 0.14 0.13 -0.03 0.04 0.10 0.20 0.06 0.03 -0.04 -0.01 0.06 -0.10 0.00 0.05 0.00 0.10 0.30 -0.31 0.09 0.02 0.45 -0.23 -0.42 -0.14 0.02 0.04 -0.10 -0.01 -0.17 0.11 0.28 -0.10 -0.05 -0.01 -0.02 -0.01 -0.04 -0.07 -0.01 0.02 0.04 -0.03 0.00 0.01 0.01 -0.03 -0.01 -0.00 0.02 0.11 -0.01 -0.02 -0.03 -0.02 -0.06 -0.00 -0.01 0.05 -0.05 -0.10 -0.07 0.00 -0.07 0.01 0.09 0.02 -0.05 -0.13 -0.02 -0.00 -0.04 -0.02 0.16 -0.06 -0.08 -0.10 0.03 0.04 -0.03 -0.06 -0.00 -0.03 -0.08 -0.01 0.12 -0.15 0.18 -0.08 0.05 0.05 0.00 0.02 0.01 0.04 0.08 0.00 0.03 0.08 0.01 0.09 0.00 -0.00 0.16 -0.02 -0.11 0.15 -0.03 -0.04 -0.15 0.02 0.03 -0.10 0.01 0.09 -0.05 -0.12 -0.01 0.24 -0.22 0.26 0.25 -0.25 0.39 -0.20 -0.09 0.25 -0.07 0.04 0.05 -0.06 0.08 -0.00 -0.14 0.08 0.07 0.01 0.04 0.01 0.08 0.14 0.02 0.09 0.01 0.02 -0.01 -0.01 -0.02 0.06 0.01 0.00 0.00 -0.08 0.00 -0.03 0.02 -0.02 0.07 -0.02 0.01 0.09 0.10 0.05 -0.10 0.06 -0.15 -0.10 -0.03 -0.04 0.07 0.22 0.03 -0.01 0.07 0.03 0.09 -0.09 -0.01 -0.16 0.02 -0.01 0.05 0.12 0.00 0.06 0.15 0.03 0.10 -0.12 0.11 -0.03 0.01 0.03 -0.00 -0.02 -0.01 -0.06 -0.14 -0.00 -0.04 -0.15 -0.02 -0.10 0.03 0.02 0.03 -0.17 0.08 0.10 -0.13 -0.13 -0.28 0.01 -0.03 -0.16 -0.03 0.09 0.10 0.22 0.03 0.13 -0.27 0.27 0.13 -0.17 0.06 0.03 0.07 0.21 0.08 -0.11 0.02 0.05 0.14 0.10 -0.10 0.00 0.01 -0.02 -0.03 -0.00 -0.13 -0.25 -0.02 -0.10 0.05 -0.02 0.02 -0.01 0.01 0.22 -0.08 -0.06 0.02 -0.03 -0.01 -0.02 -0.04 -0.00 -0.23 0.11 -0.09 -0.11 -0.17 -0.11 0.04 -0.11 0.09 0.09 0.14 0.07 -0.13 0.15 -0.01 -0.22 0.13 -0.04 0.04 0.01 -0.03 0.11 -0.00 0.04 -0.07 0.09 -0.05 0.02 0.07 0.05 0.02 -0.02 0.04 -0.02 0.03 -0.00 -0.05 0.02 -0.01 0.00 -0.06 0.09 0.07 -0.10 0.04 -0.19 0.16 0.07 0.11 0.12 -0.15 0.04 0.05 0.15 0.25 0.01 0.08 0.08 0.08 -0.05 0.13 0.07 -0.02 0.08 0.04 -0.02 0.08 -0.04 0.21 -0.14 -0.11 0.02 -0.15 0.16 0.02 -0.10 -0.10 -0.12 0.01 0.06 0.04 -0.15 0.05 0.07 -0.06 -0.08 0.06 -0.15 0.27 0.12 -0.06 0.03 -0.09 0.10 -0.05 0.08 0.04 0.08 0.00 -0.03 -0.04 0.03 -0.06 -0.05 0.14 0.06 0.01 -0.11 -0.05 -0.09 -0.03 0.07 -0.15 0.00 -0.01 0.00 0.18 -0.02 -0.02 0.24 -0.02 0.08 -0.11 -0.00 0.02 0.02 0.12 -0.05 0.04 -0.13 0.09 0.13 -0.06 0.05 -0.02 -0.03 0.03 0.01 0.11 -0.02 -0.12 -0.15 0.05 -0.08 0.01 -0.01 -0.18 0.03 0.00 -0.09 -0.01 0.11 -0.14 -0.04 0.11 -0.10 0.06 0.03 0.04 -0.04 0.08 -0.02 -0.22 0.16 0.21 -0.04 0.04 -0.02 -0.02 0.02 0.01 -0.12 0.06 -0.01 -0.08 0.08 0.01 -0.06 -0.03 -0.02 -0.00 0.04 0.03 0.21 -0.04 -0.19 -0.32 0.10 -0.16 0.01 0.04 -0.38 -0.06 0.03 0.01 0.07 -0.05 0.05 -0.04 -0.07 -0.00 0.06 0.10 -0.05 -0.03 0.10 -0.09 -0.16 -0.08 0.07 0.10 0.22 0.08 -0.13 0.07 -0.09 -0.02 -0.06 0.09 0.02 0.02 0.10 0.05 -0.10 0.09 0.01 -0.05 -0.06 0.04 -0.07 0.04 -0.12 -0.06 0.05 0.09 -0.08 0.06 0.09 -0.08 -0.05 0.05 -0.03 -0.10 -0.06 0.10 -0.09 0.04 0.08 -0.14 -0.02 -0.00 0.00 0.08 -0.09 0.08 0.09 -0.12 0.17 -0.14 -0.08 -0.12 0.10 -0.20 0.02 -0.23 -0.09 0.11 0.12 -0.08 0.06 0.10 -0.08 0.11 0.06 -0.10 0.07 0.23 -0.23 -0.06 0.18 0.07 0.09 0.06 -0.13 -0.10 0.11 -0.08 -0.17 -0.15 0.19 -0.14 -0.05 -0.05 -0.13 -0.15 0.03 0.37 0.15 -0.07 0.01 0.02 0.03 0.00 0.00 -0.05 -0.01 0.12 -0.10 0.01 0.10 0.07 0.05 -0.03 -0.07 -0.07 -0.00 0.04 0.03 0.01 0.01 -0.10 0.01 -0.02 -0.17 -0.04 0.01 0.04 -0.01 0.02 0.04 -0.11 0.05 0.04 0.01 -0.02 -0.14 -0.04 0.04 -0.05 -0.06 0.04 0.03 -0.10 0.05 -0.23 0.04 0.03 -0.30 0.01 0.03 -0.26 0.02 -0.01 0.02 -0.08 -0.02 0.08 -0.06 0.01 -0.06 0.00 0.03 0.06 -0.05 0.06 0.04 -0.08 -0.02 -0.08 -0.09 0.07 -0.07 -0.09 0.08 -0.13 0.09 0.03 -0.07 -0.13 0.11 0.05 -0.09 -0.01 -0.06 -0.08 0.08 0.07 -0.01 0.01 -0.30 -0.02 0.07 -0.33 0.04 -0.01 0.23 -0.01 0.01 -0.05 -0.04 0.02 0.03 -0.00 0.02 -0.01 0.02 -0.06 -0.10 -0.04 -0.01 -0.15 -0.00 -0.01 0.13 0.03 -0.14 -0.08 -0.05 0.22 -0.02 0.05 -0.03 0.06 0.04 -0.06 0.04 -0.03 -0.06 0.16 0.09 -0.00 0.12 0.08 -0.03 0.03 0.02 0.10 0.05 0.02 -0.00 -0.02 -0.12 0.09 0.06 0.08 0.01 -0.00 -0.06 -0.04 -0.02 -0.04 -0.06 -0.04 0.07 -0.05 0.04 -0.04 -0.08 0.18 -0.02 -0.08 0.12 0.14 0.03 0.16 0.04 0.08 0.07 0.02 0.23 0.10 -0.06 0.06 -0.09 -0.06 0.07 -0.13 0.21 -0.07 -0.08 -0.29 0.26 0.13 -0.18 -0.05 -0.26 -0.22 0.20 0.15 0.16 0.07 -0.03 -0.09 -0.04 -0.04 0.05 -0.08 -0.06 -0.03 0.01 0.05 -0.04 0.04 0.01 -0.03 -0.02 -0.00 -0.06 0.03 0.04 -0.11 0.10 -0.06 -0.05 0.00 -0.06 -0.02 0.01 0.12 0.10 -0.01 0.04 0.05 -0.09 -0.02 0.07 -0.07 -0.04 0.04 0.01 -0.08 -0.00 -0.00 -0.05 0.01 -0.08 0.02 0.14 0.20 -0.02 0.02 -0.02 0.03 0.06 -0.04 -0.04 0.08 0.11 -0.01 -0.02 -0.12 -0.09 -0.07 -0.13 -0.06 0.10 -0.08 0.03 0.05 0.02 -0.09 0.04 0.02 -0.03 0.07 -0.01 -0.05 -0.00 0.01 -0.09 0.23 0.51 0.04 0.07 -0.07 0.08 0.08 -0.08 0.11 -0.12 0.03 0.07 0.12 -0.09 -0.07 0.07 -0.01 0.10 0.14 -0.09 -0.08 0.25 0.34 -0.03 -0.02 -0.16 -0.09 0.08 -0.14 0.06 -0.03 -0.01 0.01 -0.06 0.03 0.02 -0.03 -0.05 -0.00 -0.08 -0.00 0.03 -0.03 0.09 -0.14 -0.02 0.02 -0.03 -0.06 -0.11 0.06 0.10 0.03 0.06 0.16 0.13 0.05 0.09 0.01 -0.02 0.02 0.01 -0.06 0.01 0.01 -0.01 0.19 0.21 0.07 -0.02 -0.15 -0.01 0.01 -0.01 0.02 0.01 -0.00 -0.01 0.00 -0.19 -0.03 0.06 0.08 -0.06 0.01 0.03 -0.05 0.03 -0.02 0.04 0.03 0.01 -0.05 0.03 0.01 -0.04 0.15 0.02 0.03 -0.04 0.10 -0.09 -0.22 -0.45 0.01 0.05 -0.05 0.05 0.05 -0.05 0.07 -0.09 0.02 0.05 -0.01 0.03 -0.03 -0.01 -0.04 0.01 0.06 -0.01 -0.01 -0.09 -0.57 -0.12 0.06 0.09 -0.06 0.01 -0.08 0.00 0.01 -0.00 -0.04 0.04 -0.02 0.00 0.03 0.06 -0.01 -0.07 -0.17 -0.08 0.06 -0.16 -0.13 0.17 0.08 0.05 -0.07 0.15 0.28 0.11 0.19 0.05 -0.05 0.02 0.04 -0.07 -0.06 -0.03 -0.02 0.01 0.06 -0.17 0.04 -0.11 -0.01 0.03 0.00 -0.07 0.02 0.06 -0.02 0.02 -0.03 0.07 -0.06 -0.04 -0.01 -0.00 0.01 -0.07 0.03 0.05 -0.01 -0.01 0.01 0.00 -0.03 0.03 -0.07 -0.02 0.09 -0.04 0.00 -0.07 -0.11 -0.01 -0.14 -0.09 -0.05 -0.11 -0.08 0.01 0.06 -0.09 0.06 -0.07 -0.07 0.06 -0.11 0.10 -0.02 -0.06 0.28 -0.25 -0.18 0.12 0.07 0.38 0.26 -0.20 -0.16 -0.04 -0.01 0.02 -0.09 0.06 0.03 0.02 0.03 0.01 -0.01 0.01 -0.01 -0.03 0.01 0.01 -0.03 -0.06 -0.00 0.18 -0.13 0.15 -0.08 0.19 -0.19 0.23 -0.19 -0.12 -0.03 0.12 -0.16 -0.14 0.01 0.21 0.03 -0.02 0.04 0.04 0.08 -0.05 -0.06 0.04 0.00 -0.17 0.05 -0.04 0.02 -0.10 0.02 0.02 -0.00 0.03 -0.10 0.09 -0.06 -0.03 0.01 0.03 0.06 -0.01 -0.01 0.00 -0.02 -0.02 0.03 0.04 -0.02 -0.01 0.05 0.05 -0.06 0.16 -0.13 -0.13 0.13 -0.01 -0.34 0.02 -0.09 -0.10 -0.10 0.12 -0.00 0.02 0.06 -0.17 0.20 -0.17 -0.19 0.18 -0.16 0.10 -0.01 -0.14 0.06 -0.08 -0.01 0.01 0.10 0.18 -0.01 -0.03 -0.00 0.11 0.00 -0.03 -0.04 -0.04 -0.04 -0.04 -0.00 0.00 -0.01 -0.03 0.02 0.01 0.03 -0.01 0.02 0.06 0.00 0.08 -0.02 -0.02 -0.26 -0.02 0.15 0.04 -0.08 -0.02 0.07 0.16 -0.02 -0.09 -0.01 -0.03 -0.04 -0.07 -0.06 -0.08 -0.17 0.06 -0.02 -0.01 0.05 -0.01 0.00 -0.01 0.14 0.43 0.01 0.03 -0.02 -0.06 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.05 -0.01 -0.00 0.10 0.09 -0.00 -0.14 -0.32 -0.01 0.11 -0.12 -0.06 -0.01 0.03 0.00 -0.04 0.01 0.05 -0.16 -0.02 -0.05 0.07 -0.12 0.09 0.08 -0.01 -0.09 -0.05 0.06 -0.06 -0.06 0.05 -0.06 0.09 -0.04 -0.05 0.04 -0.05 0.01 0.03 0.03 0.02 -0.02 -0.02 -0.01 -0.11 -0.07 0.01 0.29 0.41 0.05 0.13 -0.07 -0.01 0.02 -0.02 -0.04 0.10 -0.03 -0.00 -0.03 -0.03 0.00 -0.00 0.06 0.08 0.20 0.02 -0.15 -0.04 0.03 0.00 -0.01 -0.05 -0.06 0.01 -0.03 0.06 -0.09 -0.12 0.01 0.11 -0.00 -0.18 0.01 0.02 -0.06 0.02 -0.01 0.01 -0.03 0.10 0.03 -0.21 0.02 0.03 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.03 0.10 0.07 -0.15 0.18 0.11 -0.18 -0.20 0.03 0.11 -0.03 0.02 0.02 -0.01 -0.03 0.02 0.01 -0.03 0.03 0.00 0.02 -0.01 0.03 -0.00 -0.20 0.16 0.08 0.02 -0.03 0.04 0.03 -0.03 0.04 -0.08 0.04 0.03 -0.04 0.04 0.03 -0.01 -0.02 -0.05 -0.03 0.03 0.02 0.02 0.31 0.11 -0.02 0.56 0.13 0.09 -0.13 0.16 0.02 -0.00 0.00 0.07 -0.04 -0.01 -0.02 0.00 0.00 0.01 0.01 0.02 -0.08 0.03 -0.01 -0.00 -0.02 -0.01 0.02 0.02 -0.02 -0.02 -0.01 0.01 0.04 0.10 -0.06 0.09 -0.14 0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.07 0.06 -0.03 -0.08 0.17 -0.10 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.14 -0.06 0.06 -0.16 -0.07 0.04 0.01 0.24 0.09 0.22 -0.15 -0.02 0.00 0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.00 -0.00 0.02 -0.02 0.02 -0.16 -0.00 -0.10 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.02 0.00 0.00 -0.33 -0.33 0.08 -0.27 -0.50 0.04 0.20 -0.22 -0.05 -0.01 -0.00 0.04 0.02 -0.01 -0.01 -0.02 -0.03 0.00 -0.01 -0.03 -0.02 0.05 0.07 -0.06 0.03 -0.02 -0.01 -0.04 -0.07 0.04 0.02 0.03 -0.01 0.03 0.02 -0.12 0.11 0.09 0.40 -0.00 -0.01 0.02 -0.05 0.01 -0.01 -0.05 -0.04 -0.10 -0.05 -0.03 -0.23 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.06 0.07 0.04 0.05 -0.00 -0.07 -0.08 0.06 0.00 0.05 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 0.04 0.02 0.01 -0.07 0.06 -0.07 0.02 0.01 -0.27 -0.02 0.02 -0.02 -0.02 0.02 -0.02 0.04 -0.02 -0.01 0.03 -0.02 -0.04 -0.00 0.03 0.09 0.04 -0.01 -0.00 0.01 0.24 0.13 0.29 0.16 0.09 -0.06 -0.03 -0.61 -0.03 0.01 0.07 0.00 -0.00 0.02 0.02 0.01 0.00 -0.00 -0.01 -0.02 -0.04 -0.01 0.08 0.01 -0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.02 0.06 -0.02 -0.13 -0.07 0.02 -0.16 -0.00 -0.01 0.02 0.01 -0.00 0.00 0.25 -0.10 -0.07 -0.19 0.12 -0.27 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.31 -0.16 0.20 -0.16 0.06 0.06 -0.02 0.01 0.05 -0.13 0.04 -0.02 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.18 0.10 -0.29 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.03 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.37 -0.20 0.16 -0.00 -0.03 0.14 -0.09 0.11 0.38 0.01 -0.00 -0.02 0.01 -0.01 -0.00 -0.05 -0.05 0.01 0.02 0.03 -0.09 0.00 0.16 0.22 0.11 -0.10 -0.09 -0.06 -0.16 0.11 0.02 0.03 -0.15 0.02 0.02 0.03 0.08 0.07 -0.12 -0.03 -0.05 0.15 -0.14 0.03 -0.04 -0.03 -0.01 0.05 -0.02 -0.02 0.06 0.02 -0.02 0.03 -0.03 0.03 0.01 -0.03 0.02 0.00 -0.02 0.03 0.00 -0.03 -0.00 -0.01 0.13 0.06 -0.06 -0.03 0.05 0.03 -0.08 0.02 0.11 0.11 0.07 0.04 -0.17 0.14 -0.21 -0.06 -0.02 0.09 -0.07 0.11 -0.11 -0.11 0.10 -0.11 0.32 -0.16 -0.07 0.11 -0.07 -0.14 -0.00 0.11 0.28 0.12 -0.01 0.01 0.01 0.05 -0.01 -0.05 0.06 -0.01 0.15 -0.00 0.43 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.03 -0.00 -0.09 -0.00 0.04 -0.01 0.01 0.01 0.03 0.07 -0.03 -0.01 -0.00 0.02 0.15 0.31 0.04 0.01 -0.06 -0.06 0.00 0.00 -0.01 0.05 -0.01 0.02 -0.10 -0.21 -0.00 -0.03 -0.06 -0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.02 0.08 0.02 0.05 0.14 0.00 -0.08 -0.13 -0.01 0.05 -0.07 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.04 -0.03 -0.02 0.07 -0.06 0.09 -0.30 -0.61 -0.03 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.03 0.01 0.00 -0.04 0.02 0.05 0.00 -0.05 -0.12 -0.05 -0.00 -0.01 0.17 0.41 0.04 -0.03 -0.05 -0.01 0.07 -0.06 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.06 -0.01 0.12 0.19 0.06 -0.05 -0.16 -0.14 0.01 -0.05 -0.04 -0.03 -0.15 0.07 -0.01 -0.02 -0.04 0.02 0.06 0.00 -0.06 -0.12 -0.02 -0.02 -0.02 0.05 -0.14 0.01 -0.05 -0.01 -0.04 -0.00 0.01 0.02 -0.01 0.01 -0.02 0.02 -0.06 0.04 0.03 0.01 0.01 0.00 0.02 0.04 0.00 -0.01 -0.04 -0.00 -0.15 -0.14 0.07 0.02 0.01 0.02 -0.06 0.04 0.07 0.12 0.09 0.06 -0.16 0.15 -0.30 -0.11 -0.27 -0.04 -0.00 0.05 -0.05 -0.05 0.06 -0.05 0.17 -0.07 -0.02 0.13 -0.08 -0.17 0.01 0.19 0.38 0.15 0.04 0.06 0.02 0.05 0.01 -0.08 -0.19 -0.02 -0.17 -0.12 -0.30 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.13 -0.06 -0.02 -0.01 0.02 0.02 -0.12 0.05 0.13 0.01 -0.06 0.03 -0.03 0.02 -0.00 -0.02 0.03 -0.01 -0.01 -0.00 0.02 0.04 0.05 -0.15 -0.10 -0.00 -0.03 0.01 -0.01 -0.05 -0.01 0.00 0.02 -0.03 0.05 -0.06 -0.05 0.02 0.03 0.02 -0.01 -0.04 -0.00 0.01 0.05 0.05 -0.03 -0.01 0.07 0.01 -0.05 -0.00 -0.06 -0.03 0.13 -0.08 -0.12 0.09 0.14 0.14 -0.06 0.07 -0.31 0.02 -0.06 -0.02 0.03 -0.13 0.13 0.16 -0.15 0.13 -0.46 0.21 0.07 0.13 -0.06 -0.25 0.02 0.17 0.24 0.10 0.12 0.15 0.00 0.03 -0.01 -0.06 -0.01 0.03 0.10 0.03 0.28 0.04 -0.01 -0.07 0.07 -0.03 -0.02 0.04 0.02 -0.00 0.05 -0.05 -0.02 -0.05 0.03 0.05 -0.05 0.02 0.06 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.15 -0.07 0.06 0.03 0.01 -0.03 0.03 0.04 -0.06 -0.03 -0.00 -0.01 -0.06 0.00 0.29 0.03 -0.04 -0.08 -0.01 0.03 -0.03 -0.02 0.01 0.01 -0.09 0.02 0.22 0.03 -0.03 -0.28 -0.26 0.14 0.05 -0.20 -0.01 0.02 -0.14 -0.03 0.01 0.13 -0.12 -0.11 0.02 0.04 0.04 -0.01 0.01 -0.09 -0.11 0.29 0.13 -0.11 -0.04 0.06 0.15 -0.17 0.03 -0.23 0.06 0.01 0.04 -0.02 -0.08 0.01 0.05 0.08 0.03 0.03 0.05 0.09 -0.06 0.07 0.33 0.12 -0.17 -0.20 -0.04 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 0.02 -0.00 -0.06 0.03 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.07 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.01 0.01 0.04 -0.04 -0.03 -0.15 -0.28 -0.40 -0.07 -0.08 0.44 -0.00 -0.01 -0.00 -0.03 -0.02 0.02 0.04 -0.05 0.01 -0.07 0.02 0.01 -0.10 -0.03 0.43 -0.11 -0.10 0.18 -0.01 -0.33 -0.37 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.03 -0.05 -0.04 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 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 -0.02 0.49 0.01 -0.10 -0.26 0.35 0.23 -0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.00 0.02 0.01 0.48 -0.07 0.03 -0.27 0.34 0.12 0.04 0.17 0.06 -0.00 -0.00 0.02 -0.01 -0.00 0.02 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.00 -0.00 0.10 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 0.02 0.01 0.01 -0.00 -0.06 0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.02 0.00 0.02 -0.01 0.12 -0.00 0.00 0.02 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.06 -0.03 -0.15 -0.06 0.01 0.01 0.02 -0.03 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 -0.02 -0.05 0.00 -0.07 0.03 -0.02 0.01 -0.03 -0.03 0.06 -0.05 -0.02 -0.01 0.01 -0.00 0.00 -0.01 -0.04 -0.01 0.01 0.01 -0.02 0.02 -0.00 -0.03 -0.08 -0.01 0.03 -0.01 0.96 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 0.01 0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.11 0.01 0.01 -0.03 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.03 -0.05 -0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.06 -0.10 0.02 0.04 0.04 0.00 0.00 -0.05 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.23 0.51 0.03 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 0.30 0.73 0.08 0.01 -0.05 0.10 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.05 0.00 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.16 -0.02 -0.01 -0.01 0.00 0.03 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.39 0.89 0.09 0.01 0.04 0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.08 -0.06 0.01 0.02 0.06 0.03 -0.06 -0.23 -0.09 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.02 -0.04 0.05 0.03 -0.17 0.07 0.04 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.02 0.05 0.03 -0.01 -0.03 0.01 -0.01 0.02 -0.01 0.01 0.00 0.05 -0.04 0.11 0.05 -0.03 -0.14 -0.07 0.04 0.01 0.30 0.23 -0.07 -0.01 0.00 0.01 -0.03 0.02 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.00 0.02 -0.01 -0.00 0.02 -0.02 -0.02 0.01 -0.03 0.09 -0.05 -0.01 0.01 -0.01 0.00 -0.00 0.02 0.05 0.02 -0.00 -0.00 0.15 -0.03 0.06 0.20 0.06 -0.09 0.43 0.61 0.13 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.03 -0.00 0.02 0.02 0.00 -0.03 0.04 -0.04 0.20 -0.01 -0.07 0.00 -0.02 0.05 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.04 0.02 0.01 0.01 -0.02 -0.13 0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.04 0.04 -0.12 0.11 0.13 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 0.05 -0.02 -0.06 0.04 -0.02 0.09 -0.09 -0.18 0.27 -0.25 -0.25 -0.01 -0.01 0.01 0.00 0.04 -0.05 -0.01 0.01 -0.06 0.22 -0.12 -0.02 0.12 -0.10 -0.02 -0.05 0.28 0.64 0.15 0.01 0.09 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 0.00 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 0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.05 -0.12 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.04 0.10 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.31 0.69 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.04 0.08 0.01 -0.26 -0.56 -0.05 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.10 -0.06 -0.01 0.01 0.03 0.01 -0.14 0.16 -0.08 -0.06 -0.01 0.02 -0.01 -0.01 0.04 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.13 0.09 0.00 -0.02 0.01 0.04 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.15 -0.13 0.09 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.24 0.18 -0.11 -0.28 0.25 -0.22 -0.03 0.03 0.05 -0.11 0.09 0.08 -0.02 -0.04 0.00 0.10 0.05 -0.11 0.02 -0.01 -0.13 0.59 -0.32 -0.05 -0.02 0.02 -0.01 0.01 -0.07 -0.14 -0.03 -0.01 -0.04 -0.00 -0.01 0.00 0.01 0.02 -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 -0.08 0.03 0.00 0.05 0.04 -0.00 0.04 -0.10 0.11 0.30 -0.10 -0.01 -0.01 -0.01 0.01 -0.05 0.04 0.00 -0.08 -0.05 0.01 -0.07 0.07 -0.12 -0.26 0.25 0.13 0.01 0.00 -0.06 0.01 -0.01 0.03 0.05 -0.03 0.03 0.06 -0.09 -0.13 0.03 -0.02 0.06 0.02 -0.00 -0.06 -0.02 0.01 0.00 0.01 -0.04 0.00 -0.08 0.07 -0.10 -0.05 0.06 0.01 -0.32 0.30 0.19 -0.04 0.01 0.22 0.01 0.02 0.05 0.01 0.04 -0.05 0.04 -0.04 -0.08 0.18 -0.12 -0.03 -0.01 0.02 -0.24 0.06 -0.11 -0.39 -0.08 -0.03 -0.11 -0.00 0.01 0.09 -0.00 0.01 -0.08 0.04 0.04 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.03 0.03 0.00 -0.13 -0.14 0.01 0.08 -0.15 0.21 -0.02 0.03 0.01 -0.01 0.03 -0.04 0.14 -0.08 -0.01 0.17 0.11 -0.03 -0.13 0.15 -0.23 0.03 -0.02 -0.02 -0.03 -0.00 0.18 -0.04 0.03 -0.12 0.11 -0.07 0.05 -0.01 0.01 0.02 -0.07 0.05 -0.17 -0.05 0.00 0.18 0.07 -0.03 -0.01 -0.02 0.11 -0.01 -0.20 0.15 -0.21 -0.14 0.18 -0.08 0.02 -0.03 -0.02 0.04 -0.03 -0.03 0.02 -0.03 -0.18 0.08 0.04 -0.09 0.07 -0.07 -0.13 0.34 -0.21 -0.05 0.01 -0.01 0.02 -0.01 0.02 0.05 0.02 0.01 0.02 0.08 0.01 -0.29 0.05 -0.05 0.24 -0.05 0.04 0.03 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.03 0.00 -0.04 -0.06 -0.01 -0.09 0.13 -0.16 0.14 -0.04 -0.01 0.00 -0.03 0.05 0.11 -0.05 0.01 0.02 0.03 -0.01 0.09 -0.10 0.17 -0.11 0.12 0.07 -0.03 -0.01 0.22 -0.04 0.02 -0.14 -0.07 0.04 -0.02 0.00 -0.04 -0.08 -0.05 0.04 -0.16 -0.02 -0.00 0.17 0.04 -0.02 -0.01 -0.00 0.06 -0.01 0.13 -0.11 0.17 0.10 -0.12 0.06 -0.17 0.14 0.10 -0.00 -0.01 0.13 0.08 0.04 -0.22 -0.04 -0.02 0.05 -0.07 0.07 0.08 -0.18 0.12 0.03 0.04 -0.05 -0.17 0.02 -0.01 -0.08 0.02 -0.04 -0.08 0.21 -0.06 -0.37 0.19 -0.13 0.27 0.03 0.17 0.01 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.11 -0.12 0.00 -0.02 0.03 -0.03 0.03 0.00 -0.02 -0.00 -0.00 0.01 0.07 -0.05 -0.03 0.18 0.11 -0.03 0.00 -0.01 0.04 0.02 0.04 0.13 0.03 0.00 -0.14 0.03 -0.01 0.08 -0.00 -0.00 -0.01 -0.07 0.00 -0.11 -0.03 0.01 0.06 -0.04 0.02 -0.04 0.01 -0.01 0.01 -0.03 0.07 -0.00 0.00 -0.02 0.05 0.00 -0.02 0.01 -0.01 0.03 0.12 0.09 -0.03 0.12 -0.15 0.02 0.22 0.04 -0.03 0.02 0.01 -0.00 0.04 -0.04 0.04 0.01 0.17 -0.22 -0.22 -0.01 0.11 0.26 0.21 -0.13 -0.20 -0.36 0.13 0.31 -0.29 0.15 -0.17 -0.10 -0.18 0.02 0.01 -0.00 -0.02 -0.04 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.06 -0.01 -0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.00 -0.02 -0.07 0.02 0.13 -0.14 0.07 -0.11 -0.02 0.00 0.02 0.01 -0.00 0.01 -0.02 0.00 0.08 0.06 -0.01 -0.13 0.33 -0.15 -0.01 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.45 0.21 0.13 -0.05 0.05 -0.03 -0.06 0.04 -0.04 0.05 -0.03 -0.01 -0.02 0.03 0.02 0.00 -0.02 -0.04 -0.03 0.02 0.03 -0.46 0.16 0.45 -0.06 0.04 -0.21 0.02 0.02 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.06 0.06 -0.00 0.02 -0.02 0.03 -0.06 0.01 -0.04 -0.00 0.00 -0.00 -0.05 0.03 0.02 -0.09 -0.05 0.01 0.01 0.00 -0.04 0.09 -0.02 0.18 -0.02 0.00 0.07 -0.02 0.01 -0.04 -0.00 0.00 0.02 -0.10 0.03 -0.14 0.02 -0.01 -0.01 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.04 0.00 0.00 0.01 -0.04 0.00 0.01 -0.01 0.15 -0.06 0.16 0.10 0.01 0.10 0.05 -0.01 -0.10 -0.04 0.04 -0.03 -0.03 0.01 -0.04 0.05 -0.04 -0.01 0.24 -0.33 -0.23 -0.04 0.17 0.47 0.32 -0.22 -0.33 0.15 -0.05 -0.11 0.13 -0.07 0.05 0.05 0.06 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.05 0.02 0.03 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 0.02 0.01 -0.00 0.18 -0.06 -0.11 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.01 0.02 -0.13 0.02 0.15 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.03 0.01 0.00 -0.00 0.01 -0.00 0.14 -0.07 -0.11 0.16 -0.03 -0.17 -0.01 0.00 -0.00 -0.02 0.01 -0.00 0.03 -0.02 0.01 -0.29 0.36 -0.23 -0.41 0.26 -0.27 0.43 -0.21 -0.05 -0.01 0.01 0.01 0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 0.00 -0.01 -0.03 0.01 -0.00 -0.01 -0.03 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.05 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.02 -0.09 -0.07 0.03 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.07 0.07 -0.03 0.00 -0.04 0.02 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.45 0.18 0.32 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.18 0.08 0.03 0.63 -0.32 0.28 0.01 0.07 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 0.01 0.05 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 -0.07 -0.14 -0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 0.10 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 0.25 0.17 -0.41 -0.09 0.03 0.54 0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.41 0.10 0.04 0.27 -0.25 -0.12 -0.11 -0.22 -0.08 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.01 0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.04 0.02 0.00 0.01 -0.03 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.11 0.13 -0.04 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.11 0.03 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.00 0.02 -0.39 -0.00 -0.26 0.31 -0.25 0.32 -0.00 0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.06 -0.04 -0.41 0.14 0.23 -0.04 0.07 0.22 0.37 0.04 -0.02 -0.02 0.06 -0.03 0.02 -0.02 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.03 0.04 -0.00 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.16 -0.06 -0.03 -0.07 -0.09 0.01 0.00 0.01 -0.00 0.02 0.01 -0.00 0.04 -0.02 -0.02 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.06 0.03 -0.02 -0.05 0.02 0.03 -0.01 0.00 -0.00 -0.04 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.02 -0.03 -0.01 -0.03 0.03 -0.02 0.04 -0.00 0.00 0.04 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.05 0.02 0.03 0.01 0.01 0.02 0.03 -0.28 0.11 0.15 -0.29 0.14 -0.08 0.22 0.81 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.05 0.00 0.00 -0.08 0.05 -0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.10 0.05 -0.03 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.01 0.02 0.01 -0.01 -0.00 0.03 -0.02 0.06 -0.02 -0.02 0.00 0.01 -0.00 0.00 -0.02 0.02 -0.02 0.02 -0.00 0.01 0.03 -0.02 -0.02 -0.44 0.17 0.39 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 0.54 -0.20 -0.37 -0.11 0.05 -0.06 0.08 0.30 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.09 -0.23 -0.00 0.01 0.02 0.03 -0.02 0.03 -0.03 -0.02 0.03 -0.03 -0.13 0.38 0.02 -0.00 -0.08 0.01 -0.00 0.01 0.00 0.02 -0.01 0.04 -0.00 -0.03 -0.04 0.02 -0.01 -0.01 0.00 0.03 -0.03 -0.03 -0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.02 0.02 -0.01 0.01 0.02 -0.01 0.02 -0.00 0.00 0.00 -0.12 0.09 -0.10 0.24 -0.25 0.29 -0.12 0.02 -0.05 -0.25 0.21 0.16 -0.31 0.08 0.26 0.12 -0.02 -0.03 -0.09 0.06 0.02 0.05 0.04 0.02 0.00 -0.02 -0.07 0.02 0.06 0.01 0.03 0.07 0.10 0.29 -0.10 -0.20 -0.08 0.04 -0.03 -0.00 0.02 -0.03 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.04 0.06 -0.08 0.52 -0.02 -0.00 -0.05 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.23 0.12 -0.23 0.23 -0.07 -0.26 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.22 -0.07 -0.26 -0.26 0.13 -0.17 0.01 -0.05 0.43 -0.00 0.02 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.03 0.03 0.02 0.05 -0.02 -0.14 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 0.01 0.02 -0.09 0.04 -0.03 0.03 -0.01 -0.04 -0.03 -0.06 0.08 -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 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.04 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.07 -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 -0.01 0.00 -0.32 0.34 -0.37 0.38 -0.40 0.45 -0.03 0.03 0.03 0.05 -0.05 -0.03 0.03 -0.01 -0.03 0.22 -0.05 -0.04 -0.16 0.12 0.05 0.08 0.08 0.03 -0.00 0.00 0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.02 0.01 0.01 0.02 -0.01 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 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 -0.02 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.04 -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 -0.03 0.03 -0.03 0.03 -0.03 0.03 0.48 -0.39 -0.29 -0.46 0.39 0.26 0.00 0.00 -0.00 0.02 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 0.02 -0.03 -0.20 0.05 0.08 -0.03 0.03 0.09 0.17 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.03 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.03 -0.13 0.04 0.05 0.20 0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 0.02 -0.00 -0.04 0.02 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.05 -0.02 0.02 0.00 0.00 -0.04 0.00 0.00 -0.04 -0.06 -0.08 0.01 0.03 -0.03 0.04 -0.03 0.03 -0.02 -0.01 0.01 0.00 -0.03 0.02 0.02 0.28 -0.12 -0.24 -0.02 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.03 0.00 0.09 0.31 -0.15 0.10 0.22 0.75 -0.04 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 0.03 -0.00 0.01 0.00 0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.02 -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 -0.04 0.04 -0.04 -0.03 0.03 -0.04 -0.32 0.34 0.26 -0.37 0.26 0.30 0.00 0.00 -0.00 -0.04 0.00 -0.01 -0.02 0.03 0.00 -0.04 0.02 0.01 -0.17 0.01 0.28 0.03 0.11 0.41 -0.02 0.25 0.21 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.05 0.05 -0.04 0.01 -0.01 -0.01 0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.08 0.05 0.02 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.32 -0.28 0.33 0.21 -0.25 0.22 -0.03 0.04 0.03 -0.04 0.03 0.03 0.01 -0.00 -0.02 0.35 -0.06 0.12 0.22 -0.33 0.01 0.40 -0.20 -0.14 -0.02 0.00 0.03 0.00 0.01 0.05 -0.00 0.03 0.02 0.03 -0.01 -0.04 -0.05 0.03 -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 0.01 0.12 0.04 0.01 -0.03 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.18 -0.07 -0.06 -0.12 0.06 -0.05 0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.16 0.07 -0.02 0.17 -0.07 -0.04 -0.01 -0.01 0.17 -0.01 -0.02 0.00 -0.06 0.06 -0.07 -0.05 0.06 -0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 0.11 -0.03 -0.26 -0.08 0.03 -0.04 -0.05 0.07 -0.01 -0.09 0.06 0.04 0.02 -0.01 -0.02 -0.01 -0.01 -0.03 0.01 -0.02 -0.01 0.27 -0.08 -0.38 -0.50 0.26 -0.38 0.03 0.10 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.05 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 -0.06 -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 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.27 -0.26 -0.17 0.29 -0.20 -0.20 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.29 0.19 0.27 0.07 0.05 0.47 -0.26 0.31 0.24 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.08 0.06 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.09 -0.07 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.28 -0.29 0.36 0.21 -0.25 0.27 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.27 0.21 -0.25 -0.21 0.25 -0.21 -0.34 0.16 0.18 -0.01 0.00 0.01 0.00 0.00 0.02 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.02 -0.02 -0.05 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.15 0.31 -0.36 0.24 -0.25 0.36 0.34 0.57 0.21 0.04 -0.04 -0.02 -0.04 -0.06 0.02 -0.05 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.04 0.01 -0.00 0.00 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 0.02 -0.00 0.03 0.00 -0.01 -0.07 0.01 -0.00 -0.01 -0.02 0.03 -0.04 0.03 -0.03 0.04 0.04 0.06 0.02 -0.36 0.30 0.18 0.36 0.56 -0.18 0.43 -0.22 -0.12 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 0.14 -0.06 0.05 -0.04 -0.03 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.04 0.03 -0.12 -0.08 0.03 0.09 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.12 0.04 0.13 -0.08 0.04 -0.08 0.12 -0.05 -0.04 -0.00 0.05 -0.00 0.07 0.01 -0.02 0.03 -0.06 -0.04 -0.01 -0.01 -0.01 0.00 0.01 -0.02 0.43 -0.16 -0.30 -0.12 -0.09 0.09 -0.03 0.09 0.14 0.07 -0.04 -0.03 0.03 -0.05 0.03 -0.02 -0.03 -0.02 0.03 0.03 0.03 0.42 -0.16 -0.28 0.39 -0.19 0.13 -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 -0.00 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 0.00 -0.00 -0.02 0.02 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.04 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.01 0.00 0.19 0.01 -0.01 0.09 -0.14 -0.07 -0.07 -0.06 -0.07 0.01 0.04 -0.11 -0.05 0.02 0.04 -0.45 -0.25 0.26 -0.09 0.30 0.51 0.26 -0.08 -0.09 0.05 -0.15 0.18 -0.03 -0.04 -0.10 0.17 0.09 0.11 -0.05 0.02 0.03 -0.05 0.03 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.02 -0.03 0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.01 -0.01 -0.03 0.05 0.01 -0.16 -0.14 -0.16 0.01 0.10 -0.24 0.01 -0.00 -0.00 0.19 0.11 -0.11 0.04 -0.13 -0.22 -0.11 0.04 0.04 0.13 -0.37 0.43 -0.06 -0.09 -0.24 0.43 0.22 0.26 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 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 -0.05 0.01 -0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.02 0.02 -0.01 0.03 0.04 0.55 0.23 0.27 0.12 -0.39 0.48 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.06 -0.17 0.20 -0.03 -0.04 -0.14 0.20 0.10 0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 0.06 -0.01 -0.06 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.53 -0.31 0.32 -0.12 0.37 0.54 -0.05 -0.02 -0.02 -0.01 0.04 -0.04 0.01 -0.00 -0.00 -0.11 -0.07 0.08 -0.03 0.08 0.13 0.08 -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.05 -0.35 -0.01 0.01 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.14 -0.08 0.19 -0.07 0.01 0.24 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.22 -0.18 0.10 -0.27 0.07 -0.07 0.41 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.35 -0.16 -0.07 -0.01 -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 -0.20 0.10 -0.07 0.40 -0.18 -0.02 0.01 -0.01 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.21 0.08 0.04 0.02 0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.26 -0.12 0.03 0.31 -0.12 -0.16 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.25 0.10 0.13 -0.27 0.12 -0.01 0.13 -0.05 -0.06 0.01 -0.08 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.34 0.11 0.37 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.23 -0.08 -0.26 0.22 -0.12 0.24 0.06 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.15 -0.10 0.00 -0.24 0.63 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 -0.03 -0.04 0.02 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 0.00 -0.01 0.00 -0.01 0.10 -0.54 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 0.05 -0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.42 0.12 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.03 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.35 -0.29 -0.13 0.58 -0.35 0.05 0.06 0.40 -0.38 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.40 -0.38 0.38 0.31 -0.09 0.07 -0.26 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 -0.05 0.01 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.49 -0.42 0.59 0.44 -0.10 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.06 0.05 -0.08 -0.06 0.01 0.00 -0.02 0.05 -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 -0.02 0.02 -0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.12 -0.60 0.61 0.33 0.31 0.12 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.03 -0.01 -0.06 0.03 -0.01 0.02 0.10 -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 -0.04 -0.07 -0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.49 0.42 0.46 0.33 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.28 -0.27 -0.21 -0.17 0.06 -0.01 0.06 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.18 -0.20 0.49 0.45 0.20 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.20 -0.16 -0.08 0.24 -0.13 0.01 -0.06 -0.38 0.37 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.03 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.03 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.21 0.22 -0.21 -0.20 -0.09 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.32 0.28 0.12 0.55 -0.34 0.04 -0.06 -0.31 0.30 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 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 0.18 0.15 0.03 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.37 0.32 -0.33 -0.26 0.06 0.08 -0.29 0.65 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.25 0.21 0.26 0.18 -0.04 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.39 0.37 0.55 0.41 -0.13 -0.02 0.02 -0.08 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -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 0.01 0.01 0.01 0.01 -0.00 0.03 0.17 -0.19 0.31 0.30 0.13 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.52 0.44 0.21 0.12 -0.09 0.01 0.04 0.30 -0.31 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.46 -0.25 0.69 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.19 -0.05 -0.45 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 -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 0.26 -0.14 0.38 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.11 -0.34 0.08 0.78 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.04 0.03 -0.07 -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 -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.51 -0.30 0.79 0.04 -0.01 -0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.94 -0.31 -0.07 17 17 17 15 8 8 8 8 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 1 298.150 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 17 17 17 15 8 8 8 8 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 34.96885 34.96885 34.96885 30.97376 15.99491 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 357.96953 0.99997 -0.00244 -0.00748 0.00219 0.99948 -0.03209 0.00756 0.03207 0.99946 asymmetric 1 0.01529 0.00859 0.00710 0.31850 0.17909 0.14802 649234.8 19.63 33.98 47.04 53.02 80.64 85.70 105.28 131.79 144.88 169.45 178.94 212.00 252.21 258.54 287.12 315.32 343.01 348.66 387.27 389.95 448.87 460.52 505.54 542.02 565.93 583.53 592.76 622.03 661.15 707.79 763.21 777.45 852.32 891.70 947.81 1000.88 1036.09 1075.79 1134.39 1163.93 1171.83 1187.41 1196.24 1203.80 1214.64 1266.75 1307.43 1367.28 1409.63 1414.61 1494.35 1498.92 1534.11 1593.61 1605.48 1608.76 1617.25 1685.64 1696.76 1711.67 1733.53 1846.63 1862.38 1868.72 1884.79 1892.75 1913.70 2008.69 2016.39 2027.96 2047.81 2057.73 2133.90 2134.33 2158.43 2163.19 2164.63 2189.55 2195.61 2283.91 2335.53 2460.75 4365.86 4370.24 4389.16 4389.55 4451.46 4457.34 4464.32 4470.27 4495.15 4497.81 4598.03 4620.24 4624.90 4630.49 0.247280 0.269278 0.270223 0.192276 -2488.725184 -2488.703186 -2488.702242 -2488.780189 168.975 77.832 164.053 0.000 0.000 0.000 0.889 2.981 43.519 0.889 2.981 34.897 167.197 71.870 85.637 1 0.593 1.986 7.394 2 0.593 1.985 6.304 3 0.594 1.983 5.659 4 0.594 1.982 5.422 5 0.596 1.975 4.592 6 0.597 1.974 4.472 7 0.599 1.967 4.066 8 0.602 1.955 3.626 9 0.604 1.949 3.441 10 0.608 1.935 3.137 11 0.610 1.929 3.031 12 0.617 1.906 2.706 13 0.627 1.873 2.378 14 0.629 1.867 2.332 15 0.638 1.840 2.137 16 0.647 1.812 1.966 17 0.656 1.782 1.815 18 0.659 1.775 1.786 19 0.674 1.730 1.602 20 0.675 1.727 1.590 21 0.700 1.651 1.352 22 0.706 1.635 1.310 23 0.728 1.572 1.160 24 0.747 1.520 1.052 25 0.761 1.484 0.987 26 0.771 1.458 0.942 27 0.776 1.444 0.920 28 0.793 1.400 0.851 29 0.817 1.340 0.767 30 0.848 1.268 0.679 31 0.885 1.183 0.586 32 0.895 1.161 0.565 33 0.950 1.048 0.463 34 0.980 0.990 0.417 0.362600e-88 -88.440572 -203.641943 0.199735e+26 25.300453 58.256446 0.794357e+10 9.900016 22.795629 0.100000e+01 0.000000 0.000000 0.266209e+09 8.425223 19.399793 0.944527e+07 6.975214 16.061025 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.0846 -1.0512 2.4345 3.3730 -132.5689 -146.0675 -151.6583 -2.2767 -5.3241 -6.0191 10.8627 -2.6360 -8.2267 -2.2767 -5.3241 -6.0191 -130.5097 -34.1387 14.2976 -16.0849 5.9992 4.2241 18.8872 -3.3959 9.8260 -0.9830 -5544.6299 -2805.4621 -1374.1870 9.0580 61.3859 13.5526 -10.5358 -62.7252 -9.6240 -1442.1848 -1206.6421 -696.5584 -2.8874 -0.4979 2.6032 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2488.9724645 1.934E-9 4.246E-6 0.2472805 0.2692784 -2488.7031861 -2488.7022419 -2488.7801889 7.5408422,-1.2943592,-6.246483,-3.1705145,-1.0658139,5.6417817 C01 [X(C12H14Cl3O4P1)] 1.2168494 -0.0304998 0.5285888 -0.3613168 0.1498017 -0.2719104 0.1560478 -0.1426541 0.1433561 -0.2909791 0.1541846 -0.3707656 -0.4823448 0.3848935 0.1522512 0.4184235 -0.4309252 -0.1589547 0.1791184 -0.1696448 -0.1497191 -0.4277903 -0.4591323 0.0581995 -0.1683564 -0.3638378 -0.0028327 0.1008651 0.108391 -0.0453984 2.7956903 -0.34737 -0.5387811 0.7003707 2.4820632 0.1688105 -0.6061906 0.0300072 2.2955065 -1.4494798 -0.5606405 0.4349909 -0.6749051 -1.275173 0.2731738 0.5809044 0.3249653 -0.7592985 -0.6487762 -0.0353639 -0.028797 -0.1557406 -1.1876683 -0.4967562 0.0037374 -0.7143062 -1.1700588 -1.7747572 0.4601794 0.451873 0.4060336 -0.8713954 -0.2218004 0.3334551 -0.1937973 -0.644646 -0.8568077 0.0786087 -0.0263562 -0.134466 -0.6882458 -0.0259565 0.0435348 0.0456871 -1.0168502 -0.253439 -0.0415801 -0.0653076 0.098791 -0.0533622 0.04432 -0.0196416 0.0299979 -0.1547636 1.0584959 0.3648245 -0.4577286 0.1977357 0.7289817 0.0564504 -0.2679538 0.1106436 0.1846893 0.3706726 0.1757658 0.1438047 0.1132766 0.4245251 0.1935697 0.0660339 0.4620341 0.7152598 0.7268508 -0.2762436 -0.1775499 -0.5797613 0.6445273 0.1713311 -0.296707 0.095812 0.4210134 0.4812988 -0.2359926 0.4557593 -0.3363486 0.1610445 -0.2099658 0.3326915 -0.1207435 0.5534757 0.073522 -0.0866816 -0.025467 -0.0856615 -0.0147262 0.0007486 0.0484791 -0.0624376 0.0145217 0.0355511 0.0682076 0.0568642 0.0249341 0.0169513 -0.0746809 0.0368392 -0.0859149 0.0458964 0.0174315 0.0430446 0.0006116 0.1089677 -0.0135504 0.0503226 -0.027995 0.1099585 -0.008037 -0.393577 0.2201387 -0.0657623 0.2295681 -0.2739261 0.0438727 -0.0677603 0.0068625 -0.096584 -0.1580839 0.1149477 0.1501216 0.0809842 -0.1950935 -0.1404508 0.13747 -0.1044127 -0.1230805 0.7062221 -0.6291988 -0.2201904 -0.6721113 0.587125 0.2645625 -0.1968432 0.2530231 0.2579925 0.412324 0.6786024 -0.0245228 0.2105321 0.1984977 0.0027073 -0.1489496 -0.1573418 -0.1322224 0.0812944 -0.0100101 -0.0172325 0.0255646 -0.0608596 0.0461498 -0.01895 -0.0158177 -0.0290371 -0.1174685 -0.0639282 -0.0159855 -0.052079 0.0361281 -0.0158932 0.0616283 -0.0285232 -0.0004169 -0.0193166 -0.0292884 -0.0876508 0.0424753 -0.0163437 -0.0508776 -0.0309468 -0.0379387 -0.0059372 -0.0794713 0.0011593 0.1063965 -0.0201227 -0.0126429 0.0591868 0.0862149 0.0266076 -0.0110918 0.1094635 0.023056 0.001243 0.0359017 0.0824292 -0.0238162 -0.0077653 -0.031648 0.0319655 0.0533234 0.0084411 0.0187508 0.0003949 -0.0617821 0.0455518 0.012847 0.1148819 0.008831 -0.0838733 -0.0041526 0.0366479 -0.021491 0.0322164 0.0046663 0.0099052 0.0042325 0.0433971 0.0324632 -0.0092706 -0.0649897 0.0090561 0.0397862 -0.036233 -0.0659228 -0.0773007 -0.079148 0.005709 -0.0656031 0.0516539 -0.0707313 0.0406447 0.0487401 0.034985 0.0492313 -0.0031871 -0.0016465 0.0862746 0.0393487 0.1149997 -0.036612 -0.0590297 0.0538077 -0.0697352 0.0200385 0.0066255 -0.0356481 -0.0682393 -0.0853949 0.0067304 -0.0571272 -0.0865039 -0.0184082 -0.0080733 0.1091312 0.0278564 -0.0116005 0.0298521 0.0969082 -0.029907 -0.0115473 -0.0281344 0.0368752 0.0595482 0.0548381 -0.0383615 0.0589984 0.0841017 0.0134714 -0.0444017 0.0102272 0.0567744 -0.0274687 -0.0505356 0.0479163 -0.0057385 0.0361377 -0.0267098 0.0665411 -0.0206427 0.1220786 225.8793036|-27.3845484|217.6669356|-9.554808|19.0574921|191.1585086 0.000002397 -0.000002565 0.000000973 -0.000003604 0.000004363 0.000001115 0.000002297 0.000002822 -0.000001055 -0.000007445 -0.000002890 0.000013180 0.000005066 0.000012909 -0.000007591 0.000017085 -0.000006316 0.000003879 0.000002251 -0.000002012 0.000007112 0.000000437 -0.000002065 -0.000000359 0.000005019 -0.000001443 0.000005644 -0.000004655 -0.000004774 -0.000001894 -0.000010957 -0.000002329 -0.000012508 0.000002762 0.000001522 -0.000005834 -0.000008084 0.000005070 -0.000006787 -0.000000245 -0.000001321 -0.000002485 -0.000000259 0.000000923 0.000003114 -0.000005162 -0.000002505 -0.000000925 -0.000000359 0.000001426 0.000003127 -0.000002937 0.000004314 0.000002219 0.000007137 -0.000007030 -0.000006378 -0.000003074 -0.000000820 -0.000001426 0.000000802 -0.000001168 0.000000430 0.000001482 0.000000248 0.000003203 -0.000001618 0.000001680 0.000001824 0.000000580 -0.000001615 -0.000001082 0.000000496 0.000000803 -0.000000502 0.000000438 -0.000000824 0.000000297 -0.000000242 0.000000021 0.000000479 0.000000125 -0.000000425 0.000000175 -0.000000190 0.000000374 0.000002655 0.000001789 0.000002393 0.000000580 -0.000001566 0.000000682 0.000002118 -0.000000569 -0.000000321 -0.000001030 0.000001052 0.000000252 -0.000001046 -0.000000247 0.000000620 -0.000001219 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 96 C1[X(C12H14Cl3O4P)] 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Chlorfenvinphos CONF202 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 35 35 31 16 16 16 16 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 34.9688527 34.9688527 34.9688527 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 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 14.2400000 14.2400000 14.2400000 12.9400000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 576 A 556 A 556 897 576 92 92 2301.0269896933 34 34 34 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 -0.0455363747 0.000000 5.406889 0.000000 4.442231 6.830161 0.000000 4.605267 6.812768 5.198417 0.000000 3.412528 6.728833 3.971048 1.650158 0.000000 4.327071 5.883952 5.990387 1.586110 2.582212 0.000000 5.392202 8.214580 6.307837 1.593825 2.483590 2.485474 0.000000 5.593663 6.935992 5.131733 1.472062 2.605449 2.570201 2.644369 0.000000 2.740361 4.541643 3.167957 3.196542 2.445935 3.252348 4.599069 3.528272 0.000000 3.077461 6.023034 2.703783 2.644446 1.395162 3.356558 3.810868 3.062065 1.482440 0.000000 3.856521 6.072478 6.589308 2.676298 3.101121 1.459397 3.013037 3.936425 3.794543 3.952196 0.000000 6.240783 9.433021 6.485087 2.662167 3.118334 3.887511 1.459233 3.277684 5.459641 4.359306 4.410461 0.000000 1.755954 4.002787 3.956564 4.046557 3.213540 3.663572 5.263537 4.684460 1.398280 2.519051 3.690911 6.251633 0.000000 4.027721 4.012422 3.657191 3.590229 3.384541 3.567508 5.161045 3.405406 1.398436 2.492657 4.437057 6.052178 2.400000 0.000000 4.190045 5.200441 7.312263 3.903876 4.328481 2.393853 4.453896 4.920260 4.246333 4.861180 1.512973 5.884019 3.813745 4.666648 0.000000 5.938926 9.924840 6.407583 3.545003 3.304673 4.662802 2.439218 4.407672 5.744933 4.501117 4.822213 1.516748 6.351995 6.615783 6.333501 0.000000 2.705796 2.713951 4.948329 5.018332 4.475990 4.301954 6.294605 5.533529 2.434901 3.799963 4.265882 7.411917 1.390598 2.789343 3.872326 7.621987 0.000000 4.537602 2.725532 4.710370 4.647192 4.596838 4.211473 6.201912 4.482720 2.430117 3.778700 4.925584 7.237172 2.781846 1.389541 4.716012 7.841197 2.428033 0.000000 3.998244 1.754402 5.251276 5.250623 5.022875 4.526173 6.688865 5.426638 2.787280 4.268871 4.833982 7.827811 2.390202 2.394051 4.329332 8.267981 1.391133 1.391232 0.000000 3.820844 6.920630 1.739914 3.637127 2.325204 4.609155 4.605175 3.791965 2.510258 1.328790 5.215709 4.772316 3.488704 3.311733 6.176964 4.720685 4.748916 4.617290 5.188646 0.000000 2.926974 6.139391 5.958768 2.826762 2.625468 2.085847 3.166620 4.191184 3.395711 3.416909 1.092435 4.386870 3.142202 4.344176 2.167416 4.480611 3.942709 4.958494 4.770472 4.605932 0.000000 4.700295 7.104496 7.399774 3.029165 3.638156 2.073387 2.786922 4.330909 4.777984 4.718465 1.092395 4.128363 4.734309 5.421700 2.175687 4.538536 5.346337 5.963295 5.914788 5.903015 1.778695 0.000000 6.482724 9.390699 5.986359 2.704245 3.136108 4.173382 2.091121 2.837165 5.306545 4.137437 4.967970 1.093292 6.296158 5.747436 6.386669 2.179071 7.467668 7.000846 7.754314 4.359879 4.938349 4.868944 0.000000 7.195917 10.195443 7.545777 3.418591 4.139139 4.454598 2.035573 3.908099 6.421682 5.399145 4.941713 1.090418 7.192960 6.924562 6.364457 2.172845 8.288579 8.048367 8.653582 5.843703 5.081467 4.459484 1.769136 0.000000 4.877926 4.873452 3.652704 3.477724 3.486716 3.800661 5.047772 2.869123 2.138336 2.672606 4.918366 5.778595 3.376873 1.082713 5.324809 6.486700 3.871705 2.148439 3.380389 3.261656 4.910996 5.793514 5.303594 6.610717 0.000000 5.235072 5.457217 8.044947 4.223660 4.988997 2.645936 4.725047 5.050558 4.934100 5.566615 2.156159 6.182174 4.669187 5.100228 1.091783 6.833695 4.603061 5.036555 4.781735 6.892688 3.072860 2.515328 6.665356 6.518761 5.639023 0.000000 3.729409 4.135749 6.736092 4.067497 4.295641 2.645293 4.945046 4.916841 3.607228 4.507472 2.152440 6.343284 3.045907 3.930270 1.091393 6.782555 2.865218 3.793780 3.269317 5.810997 2.503268 3.075751 6.700853 6.944420 4.719057 1.773729 0.000000 4.315513 5.676943 7.949090 4.768652 5.002060 3.350819 5.111438 5.904547 4.979356 5.560949 2.144263 6.489469 4.306851 5.550719 1.093413 6.750730 4.300359 5.551851 4.955069 6.836015 2.507912 2.521246 7.104455 6.942439 6.285548 1.775301 1.774878 0.000000 5.079956 9.305236 5.450490 3.371264 2.639889 4.506232 2.717292 4.277340 4.992601 3.682640 4.643806 2.158304 5.567778 5.979014 6.116014 1.091087 6.895401 7.231402 7.610296 3.799996 4.102215 4.587992 2.525999 3.075260 5.924653 6.749296 6.417078 6.530726 0.000000 6.846193 10.905155 6.869303 4.471104 4.205786 5.693412 3.384804 5.128576 6.613027 5.275709 5.912775 2.148832 7.287649 7.451453 7.424868 1.093882 8.592270 8.729163 9.221243 5.267598 5.564839 5.603468 2.518614 2.517719 7.230191 7.905399 7.864625 7.839375 1.777577 0.000000 5.987888 10.133880 7.139819 3.977960 3.793756 4.782361 2.684574 5.055818 6.181145 5.074191 4.636037 2.157040 6.585120 7.130766 6.112546 1.092174 7.796950 8.263408 8.541786 5.451066 4.297717 4.170571 3.080215 2.508403 7.127916 6.621186 6.690733 6.376018 1.772839 1.773541 0.000000 2.837820 2.857810 5.740534 5.843751 5.248827 4.995360 6.990173 6.495508 3.413384 4.670092 4.672205 8.138599 2.152601 3.870332 4.071600 8.236906 1.080994 3.408321 2.156139 5.587077 4.296277 5.699499 8.293169 8.997497 4.952686 4.851480 3.099962 4.234720 7.504105 9.225969 8.297664 0.000000 5.619098 2.866774 5.386945 5.272393 5.434171 4.852382 6.841563 4.854569 3.411952 4.645885 5.701428 7.857134 3.863441 2.154468 5.414119 8.596774 3.404898 1.081666 2.150534 5.397760 5.868181 6.690797 7.541134 8.603481 2.488416 5.551004 4.525094 6.297379 8.049100 9.455065 9.063672 4.298044 0.000000 4.515552 7.970348 2.403397 3.838140 2.562669 5.048848 4.481827 4.001369 3.491465 2.112066 5.640590 4.319706 4.436320 4.279653 6.775916 4.110090 5.748750 5.625622 6.228276 1.080602 5.020049 6.165669 3.848372 5.378769 4.090611 7.474592 6.550609 7.406600 3.196636 4.481781 4.943332 6.552212 6.369726 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8451,.4729,2.5925;4.911,-1.0228,-.6427;.201,3.9,-.1595;-1.894,-.8022,-.8831;-1.611,.3875,.2249;-.8936,-1.9784,-.5206;-3.2918,-1.3491,-.3471;-1.7948,-.3288,-2.2734;.7763,.7849,-.1292;-.5981,1.3226,.0107;-.7834,-2.541,.8215;-4.5082,-.5493,-.448;1.5137,.3439,.974;1.346,.6557,-1.3998;.5049,-3.3327,.8725;-4.8322,.0774,.8947;2.7844,-.2026,.8306;2.6111,.1072,-1.5713;3.3162,-.3174,-.4497;-.9509,2.6033,-.0218;-.7818,-1.724,1.5467;-1.6611,-3.1681,.9942;-4.381,.2003,-1.2336;-5.2812,-1.2493,-.7665;.7658,.9655,-2.2598;.495,-4.1343,.1314;1.3592,-2.6833,.6735;.6257,-3.7752,1.8651;-4.0341,.7528,1.2067;-5.7662,.6421,.8229;-4.9529,-.6947,1.6577;3.343,-.5317,1.6956;3.0402,.001,-2.5585;-1.9816,2.9177,.0582; 0.3184959 0.1790888 0.1480249 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= 556 RedAO= T EigKep= 1.32D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 9.50D-07 NBFU= 554 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= 568 568 568 568 568 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 1 1 -2488.97246452565 -2488.97246452573 -0.000000000081 -2488.97246453 2 2.482154026784e+03 -1.048605412776e+04 3.213946183134e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7549747200 LenX= 7549072822 LenY= 7548740470 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. PT298.400S 2024-09-20T00:05:30.000 -101.57245 -101.56921 -101.56686 -77.20713 -19.18114 -19.16926 -19.16654 -19.09662 -10.26917 -10.26640 -10.26307 -10.25054 -10.24518 -10.24217 -10.22088 -10.21321 -10.20871 -10.20587 -10.17958 -10.17574 -9.48726 -9.48380 -9.48111 -7.25188 -7.24845 -7.24586 -7.24212 -7.24159 -7.23863 -7.23821 -7.23595 -7.23547 -6.68759 -4.85028 -4.84973 -4.84776 -1.12232 -1.06827 -1.05396 -0.98469 -0.92951 -0.89432 -0.88679 -0.84828 -0.79814 -0.78789 -0.77720 -0.76976 -0.74278 -0.67280 -0.64957 -0.64886 -0.63657 -0.61897 -0.58112 -0.56027 -0.54666 -0.52512 -0.51451 -0.50212 -0.49821 -0.49079 -0.48188 -0.47326 -0.46016 -0.45861 -0.43837 -0.43617 -0.42969 -0.42757 -0.41847 -0.41000 -0.40264 -0.39973 -0.39597 -0.39245 -0.38174 -0.37417 -0.36833 -0.36133 -0.35181 -0.34983 -0.33982 -0.33753 -0.33055 -0.32656 -0.32552 -0.31787 -0.30926 -0.28040 -0.27072 -0.26003 -0.05390 -0.04712 -0.02221 -0.01516 -0.00765 0.00063 0.00563 0.01093 0.01273 0.01843 0.02268 0.02451 0.03013 0.03626 0.04188 0.04813 0.05033 0.05225 0.05615 0.06175 0.06448 0.06860 0.06983 0.07434 0.07628 0.08114 0.08389 0.08645 0.08796 0.09731 0.09802 0.10369 0.10601 0.10764 0.10866 0.11334 0.11524 0.11998 0.12333 0.12425 0.12528 0.13036 0.13152 0.13381 0.13636 0.13690 0.13994 0.14648 0.15021 0.15259 0.15779 0.16337 0.16829 0.17143 0.17380 0.17610 0.17841 0.18278 0.18473 0.18663 0.18779 0.19426 0.19810 0.19852 0.20435 0.21088 0.21246 0.21490 0.21851 0.22063 0.22383 0.22531 0.22863 0.23301 0.23798 0.24293 0.24391 0.24537 0.25108 0.25839 0.26117 0.26175 0.26544 0.26803 0.27280 0.27502 0.28242 0.28631 0.28758 0.29524 0.29874 0.30172 0.30800 0.31134 0.31342 0.32142 0.32568 0.32781 0.33001 0.33639 0.34380 0.34972 0.35256 0.35710 0.36943 0.37610 0.38054 0.38764 0.39951 0.40241 0.40676 0.41268 0.41671 0.42401 0.42980 0.43509 0.44963 0.45285 0.45705 0.47037 0.47788 0.48030 0.48301 0.48795 0.49359 0.49442 0.50161 0.50758 0.51023 0.51550 0.52738 0.53232 0.53766 0.54500 0.54790 0.55384 0.56056 0.56875 0.57032 0.57739 0.58199 0.59523 0.59974 0.60448 0.61100 0.61282 0.62814 0.63575 0.64318 0.64665 0.65156 0.65708 0.66064 0.67455 0.67628 0.68049 0.68426 0.68913 0.69088 0.70280 0.70818 0.71092 0.71321 0.72045 0.72657 0.73045 0.74109 0.74775 0.76107 0.76949 0.76996 0.78789 0.80648 0.81414 0.82287 0.83331 0.84338 0.85088 0.85481 0.86356 0.86553 0.86883 0.87270 0.87889 0.88270 0.88948 0.89579 0.90885 0.92199 0.92576 0.93016 0.93848 0.94296 0.94706 0.95275 0.95494 0.96305 0.97672 0.98117 0.99707 1.00563 1.01017 1.01799 1.02276 1.03798 1.05016 1.05745 1.06148 1.08270 1.08605 1.09180 1.11158 1.11626 1.12512 1.14466 1.15772 1.17230 1.17891 1.18935 1.19996 1.20955 1.22069 1.22421 1.22916 1.23587 1.24084 1.25070 1.26059 1.26954 1.29747 1.30015 1.30869 1.32484 1.33341 1.35553 1.37150 1.38269 1.40695 1.41828 1.43162 1.44411 1.46153 1.47756 1.49086 1.50575 1.51787 1.52316 1.53428 1.53814 1.54441 1.54912 1.55955 1.56387 1.56741 1.57406 1.58292 1.59510 1.60315 1.61728 1.62120 1.62972 1.64386 1.64737 1.65199 1.66753 1.67276 1.68447 1.69809 1.70705 1.72407 1.73489 1.74783 1.75057 1.76263 1.76729 1.78551 1.81254 1.81595 1.82648 1.83095 1.84885 1.86350 1.87037 1.87592 1.88210 1.90318 1.90581 1.93304 1.93935 1.94302 1.95789 1.96773 1.96872 1.99157 2.00348 2.01639 2.03390 2.04579 2.05974 2.07041 2.07360 2.10237 2.10960 2.12023 2.15645 2.16903 2.18346 2.19261 2.23844 2.26812 2.26991 2.28448 2.28750 2.29247 2.30972 2.31089 2.31861 2.32997 2.35071 2.37460 2.38873 2.40895 2.43069 2.45405 2.46847 2.46922 2.48108 2.48551 2.48668 2.51471 2.52300 2.53291 2.56699 2.57425 2.57831 2.58404 2.58650 2.61642 2.61841 2.62526 2.63658 2.64698 2.65700 2.66542 2.67976 2.68915 2.70791 2.71846 2.73073 2.73855 2.74974 2.76316 2.77805 2.78803 2.80292 2.81844 2.82546 2.83282 2.83888 2.84021 2.84868 2.85708 2.87018 2.88119 2.89357 2.90189 2.92333 2.93074 2.94638 2.95596 2.98636 2.99768 3.03181 3.05581 3.06846 3.08787 3.10016 3.10233 3.12174 3.12494 3.14659 3.16271 3.17591 3.21894 3.22408 3.26421 3.27945 3.29955 3.34739 3.40225 3.45683 3.48006 3.48940 3.55107 3.57877 3.62878 3.69547 3.79357 3.79539 3.80135 3.80546 3.81194 3.81521 3.82863 3.85814 3.96735 4.00440 4.06327 4.12503 4.15372 4.21061 4.22576 4.26222 4.81548 5.05500 5.06666 5.08794 5.10155 5.11240 5.15021 5.19484 5.26202 5.29097 5.47238 5.50597 5.62657 7.33944 9.77216 9.79689 9.84469 13.98420 14.04255 14.16735 23.50779 23.66046 23.82702 23.84913 23.87988 23.93216 23.95869 23.97734 24.00579 24.05463 24.13404 24.22133 25.86354 25.88677 26.01006 26.04219 26.11714 26.28125 26.51607 26.65246 26.83334 49.90768 49.91651 49.95160 49.97239 163.44398 215.76373 215.79017 215.85169 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 Cl Cl Cl P O O O O 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 0.187376 0.466930 0.200914 0.239062 -0.115189 -0.032361 -0.151762 -0.079639 1.198184 -0.856540 -0.108073 -0.153732 0.110340 -0.976414 -0.666299 -0.448022 -0.222736 -0.884431 0.542052 -0.622612 0.175073 0.184499 0.190606 0.171683 0.177193 0.158728 0.181944 0.153262 0.164076 0.146845 0.151668 0.164110 0.157657 0.195606 -0.00000 -2.0846 -1.0512 2.4345 3.3730 -132.5689 -146.0675 -151.6583 -2.2767 -5.3241 -6.0191 10.8627 -2.6360 -8.2267 -2.2767 -5.3241 -6.0191 -130.5097 -34.1387 14.2976 -16.0849 5.9992 4.2241 18.8872 -3.3959 9.8260 -0.9830 -5544.6299 -2805.4621 -1374.1871 9.0580 61.3859 13.5526 -10.5358 -62.7252 -9.6240 -1442.1848 -1206.6421 -696.5584 -2.8874 -0.4979 2.6032 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA ALCAMI 2024-09-20T00:00:00.000 0 Wavefunction Chlorfenvinphos CONF202 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2488.9724645 RMSD=5.083e-10 Dipole=1.2168494,-0.0304998,0.5285888 Quadrupole=7.540842,-1.2943592,-6.2464829,-3.1705147,-1.065814,5.6417817 PG=C01[X(C12H14Cl3O4P1)] 0 0.1793291394 -0.6447665113 2.5559345532 0 -4.0270934538 2.5582210701 1.4239747389 0 -1.539934513 -3.5584165715 -0.3229878278 0 1.6014967043 0.343862571 -1.7112118141 0 1.378217206 -0.8827413547 -0.6301884698 0 1.3002616826 1.6824735765 -0.9155210976 0 3.1924834758 0.3394213706 -1.8061890815 0 0.8093794225 0.1781715592 -2.9408710405 0 -0.9329593608 -0.4725058037 0.0573911243 0 0.1055103115 -1.4152797905 -0.4225930649 0 1.9262127482 2.0034177777 0.3631575342 0 3.9110343537 -0.7583161876 -2.4449509269 0 -0.9771721711 -0.0338276728 1.3843402879 0 -1.8692850323 0.0467122118 -0.8422373142 0 1.1240118524 3.1240455757 0.9874609512 0 4.4928251786 -1.682344721 -1.3922334875 0 -1.9255830428 0.8865023812 1.8170893033 0 -2.823264361 0.9723213672 -0.4372728234 0 -2.8384763492 1.3825830172 0.8920055225 0 -0.0527105692 -2.7154296146 -0.6467767196 0 1.9231374737 1.109329536 0.9908598881 0 2.9600776531 2.2954811502 0.1652958342 0 3.2348429896 -1.2820991472 -3.1259098619 0 4.6894180421 -0.2788307528 -3.0392781165 0 -1.8184654218 -0.264941777 -1.8778806165 0 1.1225199583 4.0040725178 0.3412865086 0 0.0920117805 2.8086748809 1.150725779 0 1.5626150155 3.398010505 1.950851798 0 3.6991274679 -2.1301867396 -0.7922734562 0 5.0640547832 -2.4800208391 -1.8759569149 0 5.1625371371 -1.1315464354 -0.7281920057 0 -1.9494326209 1.2088593121 2.8486246323 0 -3.5372118796 1.3771216663 -1.1418421202 0 0.7473970471 -3.3347934969 -1.0261413404 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 96 C1[X(C12H14Cl3O4P)] 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Chlorfenvinphos CONF202 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 35 35 31 16 16 16 16 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 34.9688527 34.9688527 34.9688527 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 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 14.2400000 14.2400000 14.2400000 12.9400000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 576 A 556 A 556 897 576 92 92 2301.0269896933 34 34 34 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 -0.0455363747 0.000000 5.406889 0.000000 4.442231 6.830161 0.000000 4.605267 6.812768 5.198417 0.000000 3.412528 6.728833 3.971048 1.650158 0.000000 4.327071 5.883952 5.990387 1.586110 2.582212 0.000000 5.392202 8.214580 6.307837 1.593825 2.483590 2.485474 0.000000 5.593663 6.935992 5.131733 1.472062 2.605449 2.570201 2.644369 0.000000 2.740361 4.541643 3.167957 3.196542 2.445935 3.252348 4.599069 3.528272 0.000000 3.077461 6.023034 2.703783 2.644446 1.395162 3.356558 3.810868 3.062065 1.482440 0.000000 3.856521 6.072478 6.589308 2.676298 3.101121 1.459397 3.013037 3.936425 3.794543 3.952196 0.000000 6.240783 9.433021 6.485087 2.662167 3.118334 3.887511 1.459233 3.277684 5.459641 4.359306 4.410461 0.000000 1.755954 4.002787 3.956564 4.046557 3.213540 3.663572 5.263537 4.684460 1.398280 2.519051 3.690911 6.251633 0.000000 4.027721 4.012422 3.657191 3.590229 3.384541 3.567508 5.161045 3.405406 1.398436 2.492657 4.437057 6.052178 2.400000 0.000000 4.190045 5.200441 7.312263 3.903876 4.328481 2.393853 4.453896 4.920260 4.246333 4.861180 1.512973 5.884019 3.813745 4.666648 0.000000 5.938926 9.924840 6.407583 3.545003 3.304673 4.662802 2.439218 4.407672 5.744933 4.501117 4.822213 1.516748 6.351995 6.615783 6.333501 0.000000 2.705796 2.713951 4.948329 5.018332 4.475990 4.301954 6.294605 5.533529 2.434901 3.799963 4.265882 7.411917 1.390598 2.789343 3.872326 7.621987 0.000000 4.537602 2.725532 4.710370 4.647192 4.596838 4.211473 6.201912 4.482720 2.430117 3.778700 4.925584 7.237172 2.781846 1.389541 4.716012 7.841197 2.428033 0.000000 3.998244 1.754402 5.251276 5.250623 5.022875 4.526173 6.688865 5.426638 2.787280 4.268871 4.833982 7.827811 2.390202 2.394051 4.329332 8.267981 1.391133 1.391232 0.000000 3.820844 6.920630 1.739914 3.637127 2.325204 4.609155 4.605175 3.791965 2.510258 1.328790 5.215709 4.772316 3.488704 3.311733 6.176964 4.720685 4.748916 4.617290 5.188646 0.000000 2.926974 6.139391 5.958768 2.826762 2.625468 2.085847 3.166620 4.191184 3.395711 3.416909 1.092435 4.386870 3.142202 4.344176 2.167416 4.480611 3.942709 4.958494 4.770472 4.605932 0.000000 4.700295 7.104496 7.399774 3.029165 3.638156 2.073387 2.786922 4.330909 4.777984 4.718465 1.092395 4.128363 4.734309 5.421700 2.175687 4.538536 5.346337 5.963295 5.914788 5.903015 1.778695 0.000000 6.482724 9.390699 5.986359 2.704245 3.136108 4.173382 2.091121 2.837165 5.306545 4.137437 4.967970 1.093292 6.296158 5.747436 6.386669 2.179071 7.467668 7.000846 7.754314 4.359879 4.938349 4.868944 0.000000 7.195917 10.195443 7.545777 3.418591 4.139139 4.454598 2.035573 3.908099 6.421682 5.399145 4.941713 1.090418 7.192960 6.924562 6.364457 2.172845 8.288579 8.048367 8.653582 5.843703 5.081467 4.459484 1.769136 0.000000 4.877926 4.873452 3.652704 3.477724 3.486716 3.800661 5.047772 2.869123 2.138336 2.672606 4.918366 5.778595 3.376873 1.082713 5.324809 6.486700 3.871705 2.148439 3.380389 3.261656 4.910996 5.793514 5.303594 6.610717 0.000000 5.235072 5.457217 8.044947 4.223660 4.988997 2.645936 4.725047 5.050558 4.934100 5.566615 2.156159 6.182174 4.669187 5.100228 1.091783 6.833695 4.603061 5.036555 4.781735 6.892688 3.072860 2.515328 6.665356 6.518761 5.639023 0.000000 3.729409 4.135749 6.736092 4.067497 4.295641 2.645293 4.945046 4.916841 3.607228 4.507472 2.152440 6.343284 3.045907 3.930270 1.091393 6.782555 2.865218 3.793780 3.269317 5.810997 2.503268 3.075751 6.700853 6.944420 4.719057 1.773729 0.000000 4.315513 5.676943 7.949090 4.768652 5.002060 3.350819 5.111438 5.904547 4.979356 5.560949 2.144263 6.489469 4.306851 5.550719 1.093413 6.750730 4.300359 5.551851 4.955069 6.836015 2.507912 2.521246 7.104455 6.942439 6.285548 1.775301 1.774878 0.000000 5.079956 9.305236 5.450490 3.371264 2.639889 4.506232 2.717292 4.277340 4.992601 3.682640 4.643806 2.158304 5.567778 5.979014 6.116014 1.091087 6.895401 7.231402 7.610296 3.799996 4.102215 4.587992 2.525999 3.075260 5.924653 6.749296 6.417078 6.530726 0.000000 6.846193 10.905155 6.869303 4.471104 4.205786 5.693412 3.384804 5.128576 6.613027 5.275709 5.912775 2.148832 7.287649 7.451453 7.424868 1.093882 8.592270 8.729163 9.221243 5.267598 5.564839 5.603468 2.518614 2.517719 7.230191 7.905399 7.864625 7.839375 1.777577 0.000000 5.987888 10.133880 7.139819 3.977960 3.793756 4.782361 2.684574 5.055818 6.181145 5.074191 4.636037 2.157040 6.585120 7.130766 6.112546 1.092174 7.796950 8.263408 8.541786 5.451066 4.297717 4.170571 3.080215 2.508403 7.127916 6.621186 6.690733 6.376018 1.772839 1.773541 0.000000 2.837820 2.857810 5.740534 5.843751 5.248827 4.995360 6.990173 6.495508 3.413384 4.670092 4.672205 8.138599 2.152601 3.870332 4.071600 8.236906 1.080994 3.408321 2.156139 5.587077 4.296277 5.699499 8.293169 8.997497 4.952686 4.851480 3.099962 4.234720 7.504105 9.225969 8.297664 0.000000 5.619098 2.866774 5.386945 5.272393 5.434171 4.852382 6.841563 4.854569 3.411952 4.645885 5.701428 7.857134 3.863441 2.154468 5.414119 8.596774 3.404898 1.081666 2.150534 5.397760 5.868181 6.690797 7.541134 8.603481 2.488416 5.551004 4.525094 6.297379 8.049100 9.455065 9.063672 4.298044 0.000000 4.515552 7.970348 2.403397 3.838140 2.562669 5.048848 4.481827 4.001369 3.491465 2.112066 5.640590 4.319706 4.436320 4.279653 6.775916 4.110090 5.748750 5.625622 6.228276 1.080602 5.020049 6.165669 3.848372 5.378769 4.090611 7.474592 6.550609 7.406600 3.196636 4.481781 4.943332 6.552212 6.369726 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8451,.4729,2.5925;4.911,-1.0228,-.6427;.201,3.9,-.1595;-1.894,-.8022,-.8831;-1.611,.3875,.2249;-.8936,-1.9784,-.5206;-3.2918,-1.3491,-.3471;-1.7948,-.3288,-2.2734;.7763,.7849,-.1292;-.5981,1.3226,.0107;-.7834,-2.541,.8215;-4.5082,-.5493,-.448;1.5137,.3439,.974;1.346,.6557,-1.3998;.5049,-3.3327,.8725;-4.8322,.0774,.8947;2.7844,-.2026,.8306;2.6111,.1072,-1.5713;3.3162,-.3174,-.4497;-.9509,2.6033,-.0218;-.7818,-1.724,1.5467;-1.6611,-3.1681,.9942;-4.381,.2003,-1.2336;-5.2812,-1.2493,-.7665;.7658,.9655,-2.2598;.495,-4.1343,.1314;1.3592,-2.6833,.6735;.6257,-3.7752,1.8651;-4.0341,.7528,1.2067;-5.7662,.6421,.8229;-4.9529,-.6947,1.6577;3.343,-.5317,1.6956;3.0402,.001,-2.5585;-1.9816,2.9177,.0582; 0.3184959 0.1790888 0.1480249 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= 556 RedAO= T EigKep= 1.32D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 9.50D-07 NBFU= 554 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= 568 568 568 568 568 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 1 1 -2488.97246452564 -2488.97246453 1 2.482154026766e+03 -1.048605412783e+04 3.213946183222e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7549747200 LenX= 7549072822 LenY= 7548740470 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 4.8059 257.98 0.0307 0.000 91 93 -0.19715 92 93 0.66852 -2488.79585158 2 Singlet-A 4.9156 252.22 0.0015 0.000 90 93 -0.34303 90 94 -0.10152 91 93 -0.20478 91 94 0.23748 92 94 0.51760 3 Singlet-A 5.1383 241.29 0.0032 0.000 90 93 0.22289 90 94 0.15463 91 93 0.14626 91 94 -0.44691 92 94 0.44768 4 Singlet-A 5.4365 228.06 0.1082 0.000 90 93 -0.20121 90 94 0.20433 91 93 0.55443 91 94 0.21372 92 93 0.17062 92 95 0.12469 5 Singlet-A 5.7644 215.09 0.0050 0.000 90 94 0.10080 91 95 -0.33529 91 96 0.25556 92 95 -0.38296 92 96 0.38489 6 Singlet-A 5.9075 209.88 0.0135 0.000 90 94 -0.26645 91 95 0.38369 91 96 0.27046 92 95 0.16637 92 96 0.38815 7 Singlet-A 5.9589 208.07 0.1750 0.000 90 93 0.31745 90 95 0.27323 91 94 0.25267 91 95 0.22702 91 96 -0.29745 92 95 -0.27689 8 Singlet-A 6.0130 206.19 0.0613 0.000 90 93 0.22632 90 94 -0.10191 91 94 0.16582 91 96 0.31364 92 96 -0.19346 92 97 0.28979 92 98 -0.18851 92 99 -0.26748 92 100 0.12478 92 101 0.11442 9 Singlet-A 6.0802 203.91 0.0972 0.000 90 93 -0.24323 90 96 -0.27785 91 94 -0.19485 91 95 0.15981 91 96 -0.17990 92 95 -0.14905 92 96 0.14550 92 97 0.31429 92 98 -0.16823 92 99 -0.17440 92 100 0.12432 10 Singlet-A 6.1354 202.08 0.0158 0.000 90 95 -0.41609 90 96 0.42895 91 95 0.12844 91 96 -0.15828 92 95 -0.20817 PT10834.600S 2024-09-20T00:28:10.000 -101.57245 -101.56921 -101.56686 -77.20713 -19.18114 -19.16926 -19.16654 -19.09662 -10.26917 -10.26640 -10.26307 -10.25054 -10.24518 -10.24217 -10.22088 -10.21321 -10.20871 -10.20587 -10.17958 -10.17574 -9.48726 -9.48380 -9.48111 -7.25188 -7.24845 -7.24586 -7.24212 -7.24159 -7.23863 -7.23821 -7.23595 -7.23547 -6.68759 -4.85028 -4.84973 -4.84776 -1.12232 -1.06827 -1.05396 -0.98469 -0.92951 -0.89432 -0.88679 -0.84828 -0.79814 -0.78789 -0.77720 -0.76976 -0.74278 -0.67280 -0.64957 -0.64886 -0.63657 -0.61897 -0.58112 -0.56027 -0.54666 -0.52512 -0.51451 -0.50212 -0.49821 -0.49079 -0.48188 -0.47326 -0.46016 -0.45861 -0.43837 -0.43617 -0.42969 -0.42757 -0.41847 -0.41000 -0.40264 -0.39973 -0.39597 -0.39245 -0.38174 -0.37417 -0.36833 -0.36133 -0.35181 -0.34983 -0.33982 -0.33753 -0.33055 -0.32656 -0.32552 -0.31787 -0.30926 -0.28040 -0.27072 -0.26003 -0.05390 -0.04712 -0.02221 -0.01516 -0.00765 0.00063 0.00563 0.01093 0.01273 0.01843 0.02268 0.02451 0.03013 0.03626 0.04188 0.04813 0.05033 0.05225 0.05615 0.06175 0.06448 0.06860 0.06983 0.07434 0.07628 0.08114 0.08389 0.08645 0.08796 0.09731 0.09802 0.10369 0.10601 0.10764 0.10866 0.11334 0.11524 0.11998 0.12333 0.12425 0.12528 0.13036 0.13152 0.13381 0.13636 0.13690 0.13994 0.14648 0.15021 0.15259 0.15779 0.16337 0.16829 0.17143 0.17380 0.17610 0.17841 0.18278 0.18473 0.18663 0.18779 0.19426 0.19810 0.19852 0.20435 0.21088 0.21246 0.21490 0.21851 0.22063 0.22383 0.22531 0.22863 0.23301 0.23798 0.24293 0.24391 0.24537 0.25108 0.25839 0.26117 0.26175 0.26544 0.26803 0.27280 0.27502 0.28242 0.28631 0.28758 0.29524 0.29874 0.30172 0.30800 0.31134 0.31342 0.32142 0.32568 0.32781 0.33001 0.33639 0.34380 0.34972 0.35256 0.35710 0.36943 0.37610 0.38054 0.38764 0.39951 0.40241 0.40676 0.41268 0.41671 0.42401 0.42980 0.43509 0.44963 0.45285 0.45705 0.47037 0.47788 0.48030 0.48301 0.48795 0.49359 0.49442 0.50161 0.50758 0.51023 0.51550 0.52738 0.53232 0.53766 0.54500 0.54790 0.55384 0.56056 0.56875 0.57032 0.57739 0.58199 0.59523 0.59974 0.60448 0.61100 0.61282 0.62814 0.63575 0.64318 0.64665 0.65156 0.65708 0.66064 0.67455 0.67628 0.68049 0.68426 0.68913 0.69088 0.70280 0.70818 0.71092 0.71321 0.72045 0.72657 0.73045 0.74109 0.74775 0.76107 0.76949 0.76996 0.78789 0.80648 0.81414 0.82287 0.83331 0.84338 0.85088 0.85481 0.86356 0.86553 0.86883 0.87270 0.87889 0.88270 0.88948 0.89579 0.90885 0.92199 0.92576 0.93016 0.93848 0.94296 0.94706 0.95275 0.95494 0.96305 0.97672 0.98117 0.99707 1.00563 1.01017 1.01799 1.02276 1.03798 1.05016 1.05745 1.06148 1.08270 1.08605 1.09180 1.11158 1.11626 1.12512 1.14466 1.15772 1.17230 1.17891 1.18935 1.19996 1.20955 1.22069 1.22421 1.22916 1.23587 1.24084 1.25070 1.26059 1.26954 1.29747 1.30015 1.30869 1.32484 1.33341 1.35553 1.37150 1.38269 1.40695 1.41828 1.43162 1.44411 1.46153 1.47756 1.49086 1.50575 1.51787 1.52316 1.53428 1.53814 1.54441 1.54912 1.55955 1.56387 1.56741 1.57406 1.58292 1.59510 1.60315 1.61728 1.62120 1.62972 1.64386 1.64737 1.65199 1.66753 1.67276 1.68447 1.69809 1.70705 1.72407 1.73489 1.74783 1.75057 1.76263 1.76729 1.78551 1.81254 1.81595 1.82648 1.83095 1.84885 1.86350 1.87037 1.87592 1.88210 1.90318 1.90581 1.93304 1.93935 1.94302 1.95789 1.96773 1.96872 1.99157 2.00348 2.01639 2.03390 2.04579 2.05974 2.07041 2.07360 2.10237 2.10960 2.12023 2.15645 2.16903 2.18346 2.19261 2.23844 2.26812 2.26991 2.28448 2.28750 2.29247 2.30972 2.31089 2.31861 2.32997 2.35071 2.37460 2.38873 2.40895 2.43069 2.45405 2.46847 2.46922 2.48108 2.48551 2.48668 2.51471 2.52300 2.53291 2.56699 2.57425 2.57831 2.58404 2.58650 2.61642 2.61841 2.62526 2.63658 2.64698 2.65700 2.66542 2.67976 2.68915 2.70791 2.71846 2.73073 2.73855 2.74974 2.76316 2.77805 2.78803 2.80292 2.81844 2.82546 2.83282 2.83888 2.84021 2.84868 2.85708 2.87018 2.88119 2.89357 2.90189 2.92333 2.93074 2.94638 2.95596 2.98636 2.99768 3.03181 3.05581 3.06846 3.08787 3.10016 3.10233 3.12174 3.12494 3.14659 3.16271 3.17591 3.21894 3.22408 3.26421 3.27945 3.29955 3.34739 3.40225 3.45683 3.48006 3.48940 3.55107 3.57877 3.62878 3.69547 3.79357 3.79539 3.80135 3.80546 3.81194 3.81521 3.82863 3.85814 3.96735 4.00440 4.06327 4.12503 4.15372 4.21061 4.22576 4.26222 4.81548 5.05500 5.06666 5.08794 5.10155 5.11240 5.15021 5.19484 5.26202 5.29097 5.47238 5.50597 5.62657 7.33944 9.77216 9.79689 9.84469 13.98420 14.04255 14.16735 23.50779 23.66046 23.82702 23.84913 23.87988 23.93216 23.95869 23.97734 24.00579 24.05463 24.13404 24.22133 25.86354 25.88677 26.01006 26.04219 26.11714 26.28125 26.51607 26.65246 26.83334 49.90768 49.91651 49.95160 49.97239 163.44398 215.76373 215.79017 215.85169 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 Cl Cl Cl P O O O O 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 0.187376 0.466930 0.200914 0.239062 -0.115189 -0.032361 -0.151762 -0.079639 1.198184 -0.856540 -0.108073 -0.153732 0.110340 -0.976414 -0.666299 -0.448022 -0.222736 -0.884431 0.542052 -0.622612 0.175073 0.184499 0.190606 0.171683 0.177193 0.158728 0.181944 0.153262 0.164076 0.146845 0.151668 0.164110 0.157657 0.195606 -0.00000 -2.0846 -1.0512 2.4345 3.3730 -132.5689 -146.0675 -151.6583 -2.2767 -5.3241 -6.0191 10.8627 -2.6360 -8.2267 -2.2767 -5.3241 -6.0191 -130.5097 -34.1387 14.2976 -16.0849 5.9992 4.2241 18.8872 -3.3959 9.8260 -0.9830 -5544.6299 -2805.4621 -1374.1871 9.0580 61.3859 13.5526 -10.5358 -62.7252 -9.6240 -1442.1848 -1206.6421 -696.5584 -2.8874 -0.4979 2.6032 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA ALCAMI 2024-09-20T00:00:00.000 0 Electronic spectrum Chlorfenvinphos CONF202 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2488.9724645 RMSD=5.820e-09 PG=C01 [X(C12H14Cl3O4P1)] 0 0.1793291394 -0.6447665113 2.5559345532 0 -4.0270934538 2.5582210701 1.4239747389 0 -1.539934513 -3.5584165715 -0.3229878278 0 1.6014967043 0.343862571 -1.7112118141 0 1.378217206 -0.8827413547 -0.6301884698 0 1.3002616826 1.6824735765 -0.9155210976 0 3.1924834758 0.3394213706 -1.8061890815 0 0.8093794225 0.1781715592 -2.9408710405 0 -0.9329593608 -0.4725058037 0.0573911243 0 0.1055103115 -1.4152797905 -0.4225930649 0 1.9262127482 2.0034177777 0.3631575342 0 3.9110343537 -0.7583161876 -2.4449509269 0 -0.9771721711 -0.0338276728 1.3843402879 0 -1.8692850323 0.0467122118 -0.8422373142 0 1.1240118524 3.1240455757 0.9874609512 0 4.4928251786 -1.682344721 -1.3922334875 0 -1.9255830428 0.8865023812 1.8170893033 0 -2.823264361 0.9723213672 -0.4372728234 0 -2.8384763492 1.3825830172 0.8920055225 0 -0.0527105692 -2.7154296146 -0.6467767196 0 1.9231374737 1.109329536 0.9908598881 0 2.9600776531 2.2954811502 0.1652958342 0 3.2348429896 -1.2820991472 -3.1259098619 0 4.6894180421 -0.2788307528 -3.0392781165 0 -1.8184654218 -0.264941777 -1.8778806165 0 1.1225199583 4.0040725178 0.3412865086 0 0.0920117805 2.8086748809 1.150725779 0 1.5626150155 3.398010505 1.950851798 0 3.6991274679 -2.1301867396 -0.7922734562 0 5.0640547832 -2.4800208391 -1.8759569149 0 5.1625371371 -1.1315464354 -0.7281920057 0 -1.9494326209 1.2088593121 2.8486246323 0 -3.5372118796 1.3771216663 -1.1418421202 0 0.7473970471 -3.3347934969 -1.0261413404 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 96 C1[X(C12H14Cl3O4P)] 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.1793,-.6448,2.5559;-4.0271,2.5582,1.424;-1.5399,-3.5584,-.323;1.6015,.3439,-1.7112;1.3782,-.8827,-.6302;1.3003,1.6825,-.9155;3.1925,.3394,-1.8062;.8094,.1782,-2.9409;-.933,-.4725,.0574;.1055,-1.4153,-.4226;1.9262,2.0034,.3632;3.911,-.7583,-2.445;-.9772,-.0338,1.3843;-1.8693,.0467,-.8422;1.124,3.124,.9875;4.4928,-1.6823,-1.3922;-1.9256,.8865,1.8171;-2.8233,.9723,-.4373;-2.8385,1.3826,.892;-.0527,-2.7154,-.6468;1.9231,1.1093,.9909;2.9601,2.2955,.1653;3.2348,-1.2821,-3.1259;4.6894,-.2788,-3.0393;-1.8185,-.2649,-1.8779;1.1225,4.0041,.3413;.092,2.8087,1.1507;1.5626,3.398,1.9509;3.6991,-2.1302,-.7923;5.0641,-2.48,-1.876;5.1625,-1.1315,-.7282;-1.9494,1.2089,2.8486;-3.5372,1.3771,-1.1418;.7474,-3.3348,-1.0261; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Chlorfenvinphos CONF202 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 35 35 31 16 16 16 16 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 34.9688527 34.9688527 34.9688527 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 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 14.2400000 14.2400000 14.2400000 12.9400000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1058 A 938 A 938 1379 1058 92 92 2301.0269896933 34 34 34 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 -0.0455363747 0.000000 5.406889 0.000000 4.442231 6.830161 0.000000 4.605267 6.812768 5.198417 0.000000 3.412528 6.728833 3.971048 1.650158 0.000000 4.327071 5.883952 5.990387 1.586110 2.582212 0.000000 5.392202 8.214580 6.307837 1.593825 2.483590 2.485474 0.000000 5.593663 6.935992 5.131733 1.472062 2.605449 2.570201 2.644369 0.000000 2.740361 4.541643 3.167957 3.196542 2.445935 3.252348 4.599069 3.528272 0.000000 3.077461 6.023034 2.703783 2.644446 1.395162 3.356558 3.810868 3.062065 1.482440 0.000000 3.856521 6.072478 6.589308 2.676298 3.101121 1.459397 3.013037 3.936425 3.794543 3.952196 0.000000 6.240783 9.433021 6.485087 2.662167 3.118334 3.887511 1.459233 3.277684 5.459641 4.359306 4.410461 0.000000 1.755954 4.002787 3.956564 4.046557 3.213540 3.663572 5.263537 4.684460 1.398280 2.519051 3.690911 6.251633 0.000000 4.027721 4.012422 3.657191 3.590229 3.384541 3.567508 5.161045 3.405406 1.398436 2.492657 4.437057 6.052178 2.400000 0.000000 4.190045 5.200441 7.312263 3.903876 4.328481 2.393853 4.453896 4.920260 4.246333 4.861180 1.512973 5.884019 3.813745 4.666648 0.000000 5.938926 9.924840 6.407583 3.545003 3.304673 4.662802 2.439218 4.407672 5.744933 4.501117 4.822213 1.516748 6.351995 6.615783 6.333501 0.000000 2.705796 2.713951 4.948329 5.018332 4.475990 4.301954 6.294605 5.533529 2.434901 3.799963 4.265882 7.411917 1.390598 2.789343 3.872326 7.621987 0.000000 4.537602 2.725532 4.710370 4.647192 4.596838 4.211473 6.201912 4.482720 2.430117 3.778700 4.925584 7.237172 2.781846 1.389541 4.716012 7.841197 2.428033 0.000000 3.998244 1.754402 5.251276 5.250623 5.022875 4.526173 6.688865 5.426638 2.787280 4.268871 4.833982 7.827811 2.390202 2.394051 4.329332 8.267981 1.391133 1.391232 0.000000 3.820844 6.920630 1.739914 3.637127 2.325204 4.609155 4.605175 3.791965 2.510258 1.328790 5.215709 4.772316 3.488704 3.311733 6.176964 4.720685 4.748916 4.617290 5.188646 0.000000 2.926974 6.139391 5.958768 2.826762 2.625468 2.085847 3.166620 4.191184 3.395711 3.416909 1.092435 4.386870 3.142202 4.344176 2.167416 4.480611 3.942709 4.958494 4.770472 4.605932 0.000000 4.700295 7.104496 7.399774 3.029165 3.638156 2.073387 2.786922 4.330909 4.777984 4.718465 1.092395 4.128363 4.734309 5.421700 2.175687 4.538536 5.346337 5.963295 5.914788 5.903015 1.778695 0.000000 6.482724 9.390699 5.986359 2.704245 3.136108 4.173382 2.091121 2.837165 5.306545 4.137437 4.967970 1.093292 6.296158 5.747436 6.386669 2.179071 7.467668 7.000846 7.754314 4.359879 4.938349 4.868944 0.000000 7.195917 10.195443 7.545777 3.418591 4.139139 4.454598 2.035573 3.908099 6.421682 5.399145 4.941713 1.090418 7.192960 6.924562 6.364457 2.172845 8.288579 8.048367 8.653582 5.843703 5.081467 4.459484 1.769136 0.000000 4.877926 4.873452 3.652704 3.477724 3.486716 3.800661 5.047772 2.869123 2.138336 2.672606 4.918366 5.778595 3.376873 1.082713 5.324809 6.486700 3.871705 2.148439 3.380389 3.261656 4.910996 5.793514 5.303594 6.610717 0.000000 5.235072 5.457217 8.044947 4.223660 4.988997 2.645936 4.725047 5.050558 4.934100 5.566615 2.156159 6.182174 4.669187 5.100228 1.091783 6.833695 4.603061 5.036555 4.781735 6.892688 3.072860 2.515328 6.665356 6.518761 5.639023 0.000000 3.729409 4.135749 6.736092 4.067497 4.295641 2.645293 4.945046 4.916841 3.607228 4.507472 2.152440 6.343284 3.045907 3.930270 1.091393 6.782555 2.865218 3.793780 3.269317 5.810997 2.503268 3.075751 6.700853 6.944420 4.719057 1.773729 0.000000 4.315513 5.676943 7.949090 4.768652 5.002060 3.350819 5.111438 5.904547 4.979356 5.560949 2.144263 6.489469 4.306851 5.550719 1.093413 6.750730 4.300359 5.551851 4.955069 6.836015 2.507912 2.521246 7.104455 6.942439 6.285548 1.775301 1.774878 0.000000 5.079956 9.305236 5.450490 3.371264 2.639889 4.506232 2.717292 4.277340 4.992601 3.682640 4.643806 2.158304 5.567778 5.979014 6.116014 1.091087 6.895401 7.231402 7.610296 3.799996 4.102215 4.587992 2.525999 3.075260 5.924653 6.749296 6.417078 6.530726 0.000000 6.846193 10.905155 6.869303 4.471104 4.205786 5.693412 3.384804 5.128576 6.613027 5.275709 5.912775 2.148832 7.287649 7.451453 7.424868 1.093882 8.592270 8.729163 9.221243 5.267598 5.564839 5.603468 2.518614 2.517719 7.230191 7.905399 7.864625 7.839375 1.777577 0.000000 5.987888 10.133880 7.139819 3.977960 3.793756 4.782361 2.684574 5.055818 6.181145 5.074191 4.636037 2.157040 6.585120 7.130766 6.112546 1.092174 7.796950 8.263408 8.541786 5.451066 4.297717 4.170571 3.080215 2.508403 7.127916 6.621186 6.690733 6.376018 1.772839 1.773541 0.000000 2.837820 2.857810 5.740534 5.843751 5.248827 4.995360 6.990173 6.495508 3.413384 4.670092 4.672205 8.138599 2.152601 3.870332 4.071600 8.236906 1.080994 3.408321 2.156139 5.587077 4.296277 5.699499 8.293169 8.997497 4.952686 4.851480 3.099962 4.234720 7.504105 9.225969 8.297664 0.000000 5.619098 2.866774 5.386945 5.272393 5.434171 4.852382 6.841563 4.854569 3.411952 4.645885 5.701428 7.857134 3.863441 2.154468 5.414119 8.596774 3.404898 1.081666 2.150534 5.397760 5.868181 6.690797 7.541134 8.603481 2.488416 5.551004 4.525094 6.297379 8.049100 9.455065 9.063672 4.298044 0.000000 4.515552 7.970348 2.403397 3.838140 2.562669 5.048848 4.481827 4.001369 3.491465 2.112066 5.640590 4.319706 4.436320 4.279653 6.775916 4.110090 5.748750 5.625622 6.228276 1.080602 5.020049 6.165669 3.848372 5.378769 4.090611 7.474592 6.550609 7.406600 3.196636 4.481781 4.943332 6.552212 6.369726 0.000000 C12H14Cl3O4P 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 0 345.45876099999987 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;1;2;3;5;6;7;8;4;21;22;23;24;25;26;27;28;29;30;31;32;33;34/rA:34nCl0Cl0Cl0P0O0O0O0O0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.8451,.4729,2.5925;4.911,-1.0228,-.6427;.201,3.9,-.1595;-1.894,-.8022,-.8831;-1.611,.3875,.2249;-.8936,-1.9784,-.5206;-3.2918,-1.3491,-.3471;-1.7948,-.3288,-2.2734;.7763,.7849,-.1292;-.5981,1.3226,.0107;-.7834,-2.541,.8215;-4.5082,-.5493,-.448;1.5137,.3439,.974;1.346,.6557,-1.3998;.5049,-3.3327,.8725;-4.8322,.0774,.8947;2.7844,-.2026,.8306;2.6111,.1072,-1.5713;3.3162,-.3174,-.4497;-.9509,2.6033,-.0218;-.7818,-1.724,1.5467;-1.6611,-3.1681,.9942;-4.381,.2003,-1.2336;-5.2812,-1.2493,-.7665;.7658,.9655,-2.2598;.495,-4.1343,.1314;1.3592,-2.6833,.6735;.6257,-3.7752,1.8651;-4.0341,.7528,1.2067;-5.7662,.6421,.8229;-4.9529,-.6947,1.6577;3.343,-.5317,1.6956;3.0402,.001,-2.5585;-1.9816,2.9177,.0582; 0.3184959 0.1790888 0.1480249 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= 938 RedAO= T EigKep= 1.13D-06 NBF= 938 NBsUse= 935 1.00D-06 EigRej= 7.40D-07 NBFU= 935 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= 1040 1036 1037 1037 1040 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 1 1 -2488.97627158068 -2489.08115936865 -0.104887787969 -2489.07988977177 0.001269596884 -2489.08321140654 -0.003321634772 -2489.08331386138 -0.000102454839 -2489.08333419360 -0.000020332220 -2489.08333740033 -0.000003206727 -2489.08333757349 -0.000000173161 -2489.08333761970 -0.000000046209 -2489.08333762265 -0.000000002956 -2489.08333762272 -0.000000000063 -2489.08333762276 -0.000000000047 -2489.08333762272 0.000000000044 -2489.08333762 13 2.481792160915e+03 -1.048656330586e+04 3.214706354001e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 7549747200 LenX= 7547490442 LenY= 7546370020 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. PT10824.500S 2024-09-20T00:50:47.000 -101.57019 -101.56690 -101.56419 -77.18806 -19.17937 -19.16784 -19.16527 -19.09234 -10.26618 -10.26349 -10.26027 -10.24785 -10.24321 -10.23852 -10.21841 -10.21053 -10.20619 -10.20340 -10.17802 -10.17442 -9.48516 -9.48164 -9.47842 -7.24904 -7.24555 -7.24244 -7.24041 -7.23990 -7.23688 -7.23644 -7.23367 -7.23321 -6.66426 -4.82770 -4.82701 -4.82428 -1.11411 -1.06264 -1.04860 -0.97489 -0.92581 -0.89046 -0.88273 -0.84523 -0.79443 -0.78521 -0.77536 -0.76701 -0.73947 -0.66883 -0.64687 -0.64666 -0.63383 -0.61478 -0.57834 -0.55637 -0.54272 -0.52227 -0.51161 -0.50076 -0.49618 -0.48890 -0.47905 -0.47059 -0.45786 -0.45620 -0.43717 -0.43364 -0.42858 -0.42584 -0.41672 -0.40877 -0.40127 -0.39786 -0.39378 -0.39146 -0.38094 -0.37276 -0.36694 -0.35989 -0.35095 -0.34910 -0.33890 -0.33650 -0.32950 -0.32565 -0.32433 -0.31606 -0.30788 -0.27920 -0.26934 -0.25839 -0.05368 -0.04736 -0.02244 -0.01590 -0.00848 -0.00011 0.00535 0.00980 0.01111 0.01734 0.02147 0.02357 0.02867 0.03595 0.04027 0.04587 0.04870 0.05061 0.05353 0.06051 0.06263 0.06636 0.06762 0.07283 0.07541 0.07946 0.08200 0.08405 0.08717 0.09421 0.09597 0.09978 0.10384 0.10518 0.10665 0.10900 0.11228 0.11780 0.12046 0.12211 0.12492 0.12760 0.12929 0.13083 0.13224 0.13411 0.13699 0.14228 0.14585 0.14857 0.15455 0.15916 0.16394 0.16651 0.16865 0.17015 0.17232 0.17781 0.17850 0.18120 0.18177 0.18685 0.19146 0.19320 0.19959 0.20220 0.20504 0.20778 0.21170 0.21329 0.21497 0.21591 0.21994 0.22195 0.22831 0.23005 0.23595 0.23706 0.24091 0.24297 0.24821 0.25039 0.25327 0.25544 0.25859 0.26112 0.26694 0.26780 0.27140 0.27405 0.28133 0.28348 0.28595 0.28848 0.28926 0.29717 0.30189 0.30333 0.31043 0.31217 0.31404 0.31755 0.32476 0.32751 0.32933 0.33535 0.33822 0.33995 0.34383 0.34457 0.34720 0.34835 0.35437 0.35712 0.36402 0.36663 0.37152 0.37291 0.37393 0.38032 0.38521 0.38966 0.39296 0.39833 0.40236 0.40611 0.41208 0.41277 0.41613 0.42187 0.42546 0.42882 0.43658 0.43774 0.44401 0.44646 0.44851 0.45131 0.45624 0.46003 0.46340 0.47209 0.47486 0.48097 0.48486 0.48707 0.49105 0.49437 0.50336 0.50607 0.50928 0.51249 0.52191 0.52626 0.53256 0.53713 0.53895 0.54224 0.54749 0.55522 0.55871 0.56108 0.56522 0.56906 0.57267 0.57430 0.57677 0.57843 0.58230 0.59052 0.59265 0.59343 0.59746 0.60379 0.60707 0.61111 0.61350 0.61683 0.62356 0.62944 0.63326 0.63601 0.64046 0.64374 0.65105 0.65409 0.65671 0.65870 0.66999 0.67728 0.68297 0.68923 0.69154 0.69339 0.70522 0.70768 0.71012 0.71633 0.72057 0.73214 0.73819 0.74466 0.74652 0.75191 0.76208 0.76518 0.76971 0.77194 0.77441 0.78439 0.79118 0.80148 0.80389 0.81014 0.81871 0.82362 0.83124 0.83214 0.84027 0.84772 0.85876 0.86247 0.86856 0.87677 0.87914 0.88047 0.88863 0.89577 0.90278 0.90953 0.91683 0.92004 0.92426 0.93424 0.93453 0.93920 0.94989 0.95465 0.96379 0.96727 0.97042 0.98125 0.98648 0.99872 1.00159 1.01267 1.02099 1.02566 1.03002 1.03146 1.04410 1.04968 1.05655 1.06841 1.07599 1.07703 1.08570 1.08687 1.09351 1.09855 1.10140 1.10957 1.11338 1.11746 1.12292 1.12531 1.12782 1.13287 1.13295 1.13929 1.14331 1.14369 1.14996 1.15163 1.15557 1.16159 1.16773 1.17321 1.17581 1.17936 1.18176 1.18748 1.19359 1.19884 1.20487 1.20803 1.20925 1.21291 1.21624 1.22742 1.22874 1.23188 1.23680 1.24345 1.24618 1.24841 1.25226 1.26025 1.26693 1.27438 1.27741 1.28285 1.28658 1.29139 1.29715 1.30271 1.30742 1.30997 1.31489 1.31726 1.31881 1.32753 1.33186 1.33768 1.33946 1.34468 1.34998 1.35761 1.36097 1.36154 1.36859 1.37355 1.38008 1.38271 1.39190 1.39412 1.39954 1.41078 1.41304 1.41377 1.42317 1.42744 1.43070 1.43742 1.44615 1.45278 1.46052 1.46329 1.47378 1.48309 1.49143 1.49642 1.50107 1.50954 1.51505 1.52367 1.53015 1.53737 1.54201 1.55013 1.55799 1.56975 1.58681 1.58875 1.60401 1.61645 1.62232 1.62982 1.63117 1.64790 1.65281 1.66033 1.66974 1.67901 1.68492 1.68924 1.69114 1.71003 1.71309 1.72923 1.73847 1.75481 1.76580 1.78242 1.80069 1.80981 1.81956 1.83047 1.83677 1.85197 1.86041 1.86578 1.87959 1.88476 1.89345 1.90156 1.91072 1.91580 1.92157 1.93348 1.94128 1.96221 1.97350 1.98463 1.99465 2.00360 2.00867 2.02069 2.02777 2.03615 2.05252 2.05454 2.06563 2.07029 2.08269 2.08689 2.09000 2.09943 2.10444 2.10818 2.11682 2.12598 2.12930 2.13263 2.14261 2.14916 2.15631 2.16770 2.17490 2.18079 2.18998 2.19336 2.19978 2.20708 2.22168 2.22207 2.23152 2.23413 2.23469 2.25162 2.25382 2.26680 2.27974 2.29050 2.29703 2.30056 2.31448 2.31623 2.32677 2.34152 2.34583 2.34927 2.36758 2.37516 2.38158 2.39402 2.40663 2.42497 2.44097 2.45814 2.46193 2.47981 2.48841 2.49924 2.52669 2.53244 2.53658 2.55796 2.57983 2.58324 2.61502 2.62951 2.65648 2.66538 2.66778 2.67406 2.69278 2.70972 2.71293 2.73304 2.75945 2.78168 2.78945 2.79891 2.80355 2.80892 2.82177 2.82788 2.85011 2.85207 2.87252 2.87585 2.89576 2.90025 2.90640 2.90941 2.91953 2.92149 2.92300 2.93540 2.93935 2.95327 2.96024 2.97130 2.97641 2.99975 3.00911 3.02052 3.03847 3.04425 3.05800 3.07357 3.07973 3.08577 3.09586 3.10417 3.11316 3.12175 3.14106 3.14675 3.16130 3.17324 3.18346 3.19903 3.20067 3.20718 3.20964 3.22063 3.23048 3.23263 3.24260 3.24927 3.25498 3.26433 3.27207 3.27669 3.28541 3.29229 3.30024 3.31261 3.32315 3.33661 3.34955 3.35723 3.36323 3.36942 3.38511 3.39266 3.39641 3.40464 3.42478 3.43522 3.44992 3.45710 3.46142 3.48648 3.50270 3.51403 3.54321 3.55125 3.57556 3.58487 3.58561 3.60060 3.61372 3.61548 3.62027 3.63410 3.63900 3.64254 3.65327 3.65925 3.67265 3.67363 3.68708 3.69408 3.70098 3.71216 3.71870 3.72488 3.73822 3.74724 3.77425 3.77655 3.78706 3.79461 3.81914 3.83917 3.84586 3.85913 3.86423 3.87461 3.88866 3.90290 3.92851 3.93464 3.95122 3.95600 3.98289 4.02271 4.02899 4.08119 4.09592 4.11005 4.14033 4.14519 4.15759 4.17375 4.20348 4.21855 4.24669 4.24783 4.25698 4.26441 4.27462 4.28198 4.28756 4.31121 4.31572 4.31954 4.32513 4.33175 4.33641 4.34743 4.35540 4.35749 4.37489 4.37861 4.39367 4.39747 4.40389 4.42884 4.43247 4.44992 4.45993 4.46429 4.49493 4.49877 4.50809 4.52131 4.53715 4.55286 4.56961 4.58361 4.58983 4.59309 4.60173 4.61529 4.62264 4.66316 4.67277 4.68345 4.69127 4.69692 4.72447 4.75435 4.77761 4.78827 4.83437 4.89185 4.91840 5.00300 5.03672 5.07456 5.08863 5.09036 5.11840 5.13952 5.15093 5.15469 5.16489 5.17745 5.18305 5.18803 5.19476 5.20249 5.21301 5.21950 5.23261 5.24205 5.25931 5.26757 5.27329 5.27771 5.29662 5.30708 5.32093 5.34083 5.34345 5.35271 5.38815 5.41006 5.41975 5.43469 5.44008 5.45999 5.48380 5.49070 5.50527 5.51550 5.54254 5.55758 5.58069 5.60474 5.62806 5.65270 5.68190 5.69930 5.72980 5.74912 5.75430 5.76652 5.77265 5.78090 5.79920 5.81854 5.82207 5.83070 5.83996 5.84981 5.87654 5.92768 5.93814 5.94379 5.97428 5.98743 6.00193 6.06487 6.15765 6.17770 6.32094 6.33089 6.39375 6.46172 6.52801 6.57833 6.68618 7.09370 7.11680 7.12591 7.14783 7.17317 7.19281 7.20362 7.20931 7.21171 7.22174 7.24717 7.26455 7.27327 7.29913 7.30261 7.35761 7.38584 7.38733 7.40817 7.42317 7.42719 7.43120 7.44683 7.46454 7.47927 7.51143 7.56403 7.60012 7.61530 7.61803 7.66558 7.71030 7.74762 7.81897 7.83803 7.85051 7.88388 7.88912 7.89729 7.91767 7.93035 7.94399 7.95933 7.97989 8.00924 8.16029 8.21843 8.21968 8.23730 8.25025 8.26595 8.27580 8.31126 8.37024 8.39418 8.41327 8.41652 8.45672 8.54773 8.64669 9.34417 10.03721 10.04000 10.11889 14.20602 14.27006 14.28907 14.38290 14.40319 14.41737 14.42783 14.43461 14.45453 14.45973 14.48697 14.50556 14.53062 14.53900 14.55517 14.61580 14.66425 14.78599 14.87554 14.91253 14.93140 15.03935 15.22249 23.97542 24.21658 24.22669 24.24506 24.47402 24.50090 24.90821 24.96388 25.33437 25.38368 25.72899 25.77124 26.05760 26.07177 26.31508 26.63172 27.04604 27.26600 27.93811 28.16188 28.53835 50.16221 50.20163 50.20302 50.24568 164.67026 216.04565 216.04928 216.14354 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 Cl Cl Cl P O O O O 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 -0.972520 -0.380024 -0.355332 0.770491 -0.586691 -0.380897 -0.528174 -0.303177 0.895219 1.271343 0.047667 0.069875 1.032312 -0.361118 -0.732826 -0.474359 -1.299014 -0.938888 1.276335 -0.464929 0.225417 0.169883 0.184266 0.150716 0.159442 0.154495 0.242328 0.155551 0.181536 0.153840 0.157644 0.155815 0.156785 0.166987 -0.00000 -2.0643 -1.1366 2.4395 3.3918 -132.2464 -145.1813 -150.9320 -1.9071 -5.4336 -5.7234 10.5402 -2.3948 -8.1454 -1.9071 -5.4336 -5.7234 -129.0175 -34.9606 13.2039 -16.7472 5.4181 4.7734 18.1733 -3.1574 9.0509 -0.9462 -5539.3571 -2797.8251 -1369.6196 16.9533 59.3940 16.0100 -8.3440 -58.6891 -8.0588 -1436.1326 -1203.4955 -694.3872 -2.6012 0.5657 2.6112 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-CABRERA ALCAMI 2024-09-20T00:00:00.000 0 Single Point Chlorfenvinphos CONF202 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2489.0833376 RMSD=2.939e-09 Dipole=1.2225412,0.0029989,0.5349326 Quadrupole=7.5552273,-1.2297916,-6.3254357,-2.9527871,-1.0109511,5.2934 PG=C01 [X(C12H14Cl3O4P1)] 0 0.1793291394 -0.6447665113 2.5559345532 0 -4.0270934538 2.5582210701 1.4239747389 0 -1.539934513 -3.5584165715 -0.3229878278 0 1.6014967043 0.343862571 -1.7112118141 0 1.378217206 -0.8827413547 -0.6301884698 0 1.3002616826 1.6824735765 -0.9155210976 0 3.1924834758 0.3394213706 -1.8061890815 0 0.8093794225 0.1781715592 -2.9408710405 0 -0.9329593608 -0.4725058037 0.0573911243 0 0.1055103115 -1.4152797905 -0.4225930649 0 1.9262127482 2.0034177777 0.3631575342 0 3.9110343537 -0.7583161876 -2.4449509269 0 -0.9771721711 -0.0338276728 1.3843402879 0 -1.8692850323 0.0467122118 -0.8422373142 0 1.1240118524 3.1240455757 0.9874609512 0 4.4928251786 -1.682344721 -1.3922334875 0 -1.9255830428 0.8865023812 1.8170893033 0 -2.823264361 0.9723213672 -0.4372728234 0 -2.8384763492 1.3825830172 0.8920055225 0 -0.0527105692 -2.7154296146 -0.6467767196 0 1.9231374737 1.109329536 0.9908598881 0 2.9600776531 2.2954811502 0.1652958342 0 3.2348429896 -1.2820991472 -3.1259098619 0 4.6894180421 -0.2788307528 -3.0392781165 0 -1.8184654218 -0.264941777 -1.8778806165 0 1.1225199583 4.0040725178 0.3412865086 0 0.0920117805 2.8086748809 1.150725779 0 1.5626150155 3.398010505 1.950851798 0 3.6991274679 -2.1301867396 -0.7922734562 0 5.0640547832 -2.4800208391 -1.8759569149 0 5.1625371371 -1.1315464354 -0.7281920057 0 -1.9494326209 1.2088593121 2.8486246323 0 -3.5372118796 1.3771216663 -1.1418421202 0 0.7473970471 -3.3347934969 -1.0261413404