Gaussian 16 GINC-VOLTA08 EFRATP ? ES64L-G16RevA.03 16-Feb-2019 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 (6D, 7F) GTBas3 72 72 C1[X(C10H16)] C1[X(C10H16)] RB3LYP GTBas3 Freq #p opt=calcall freq g4 test integral=ultrafine scf=tight 1.50874 1.33883 1.49066 1.52029 1.49965 1.52795 1.50324 1.51603 1.53408 1.09781 1.09569 1.08795 1.08827 1.08565 1.08499 1.09914 1.09266 1.09633 1.09616 1.09647 1.09393 1.09417 1.0944 1.09303 1.0955 122.2464 120.42048 118.25454 60.08252 120.13026 123.16725 116.23928 110.554 110.10215 109.86266 118.29291 115.61004 117.87312 116.18662 107.85313 111.43271 110.74805 110.64945 110.71003 111.73905 110.55222 110.4939 111.89594 110.41307 1.25048 52.61616 -108.58501 105.02724 -179.93554 -107.39247 -157.76524 -91.41308 152.71049 -149.07055 -162.61813 144.05368 2.1466 83.97173 0.14989 120.86903 -120.67542 -93.5386 145.73743 25.88904 176.73046 -63.46206 57.20172 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /private/chem/g16E01/g16/l1.exe "/var/spool/scratch/efratp/g16/20G4/Gau-46410.inp" -scrdir="/var/spool/scratch/efratp/g16/20G4/" chk=/home/qnt/efratp/g16/20G4.chk mem=10GB nprocshared=16 #p opt=calcall freq g4 test integral=ultrafine scf=tight 1/10=4,18=20,19=15,26=4,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=35,7=104,11=2,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3 4//1 5/5=2,32=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/10=1,25=1/1,2,3,16 1/10=4,18=20,19=15,26=4/3(3) 2/9=110/2 7/8=1,9=1,25=1,44=-1/16 99//99 2/9=110/2 3/5=35,7=104,11=2,25=1,30=1,71=2,74=-5,75=-5,140=1/1,2,3 4/5=5,16=3,69=1/1 5/5=2,32=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 7/10=1,25=1/1,2,3,16 1/10=4,18=20,19=15,26=4/3(-8) 2/9=110/2 6/7=2,8=2,9=2,10=2,18=1,19=2,28=1/1 7/8=1,9=1,25=1,44=-1/16 99//99 ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 /private/chem/g16E01/g16/l101.exe) Initialization pass. 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 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 2 7 11 12 3 13 4 8 5 6 14 6 15 16 7 9 10 17 18 19 20 21 22 23 24 25 26 1.5087 1.541 1.0978 1.0957 1.3388 1.088 1.4907 1.5032 1.5203 1.512 1.0883 1.4997 1.0857 1.085 1.528 1.516 1.5341 1.0991 1.0927 1.0963 1.0962 1.0965 1.0939 1.0942 1.0944 1.093 1.0955 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 7 7 11 1 1 3 2 2 4 3 3 3 5 6 4 4 6 6 15 4 4 5 5 7 1 1 1 6 6 10 3 3 3 18 18 19 6 6 6 21 21 22 7 7 7 24 24 25 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 7 11 12 11 12 12 3 13 13 4 8 8 5 6 14 14 14 15 16 15 16 16 7 9 7 9 9 6 10 17 10 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 112.4364 110.1021 109.8627 109.8795 108.7368 105.5862 122.2464 118.2929 119.4585 120.4205 123.1673 116.4024 118.2545 118.8922 115.61 116.3707 116.8054 117.8731 116.1866 117.5035 119.6978 114.7076 116.2047 116.7735 120.1303 116.2393 115.6534 112.0098 110.0998 107.8666 110.554 107.8531 108.324 111.4327 110.748 110.6495 108.374 108.5107 106.979 110.71 111.739 110.5522 108.2354 107.8289 107.6294 110.4939 111.8959 110.4131 107.5462 108.0931 108.2656 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 7 7 11 11 12 12 2 2 2 11 11 11 12 12 12 1 1 13 13 2 2 2 8 8 8 2 2 2 4 4 4 3 3 14 14 3 3 14 14 15 15 16 16 4 4 4 5 5 5 9 9 9 4 4 4 5 5 5 7 7 7 1 1 1 6 6 6 17 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 2 2 2 2 2 2 7 7 7 7 7 7 7 7 7 3 3 3 3 4 4 4 4 4 4 8 8 8 8 8 8 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 3 13 3 13 3 13 6 10 17 6 10 17 6 10 17 4 8 4 8 5 6 14 5 6 14 18 19 20 18 19 20 15 16 15 16 7 9 7 9 7 9 7 9 1 10 17 1 10 17 1 10 17 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 31.4668 -149.0706 -91.4131 88.0496 152.7105 -27.8268 -48.1913 75.2561 -166.7288 74.8135 -161.739 -43.724 -170.0768 -46.6294 71.3857 1.2505 -179.9355 -178.2061 0.6079 52.6162 -15.9283 -162.6181 -126.2754 165.1801 18.4903 0.1499 120.869 -120.6754 179.0081 -60.2728 58.1827 144.0537 2.1466 -0.4488 -142.3559 -3.89 -145.9619 142.4103 0.3385 -147.0024 0.5779 0.0794 147.6597 35.1672 -88.0243 153.7127 -34.5738 -157.7652 83.9717 177.6655 54.4741 -63.789 -162.2149 77.0611 -42.7873 -93.5386 145.7374 25.889 55.5051 -65.2188 174.9328 52.4382 172.2457 -67.0905 176.7305 -63.4621 57.2017 -65.2943 54.5132 175.177 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 557.7804959768 360 552 390 38 38 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 26 26 26 1.00e+00 60 F 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= 360 RedAO= T EigKep= 3.33D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 Using GEDIIS/GDIIS optimizer. local minimum Step number 3 out of a maximum of 156 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00205 0.00254 0.00274 0.00458 0.00718 0.01067 0.01559 0.01785 0.01946 0.02172 0.02489 0.03142 0.03319 0.03843 0.04129 0.04256 0.04404 0.04516 0.04608 0.04653 0.04738 0.05152 0.05699 0.05862 0.05876 0.06683 0.07750 0.08724 0.08958 0.11203 0.11813 0.11962 0.12136 0.12174 0.13010 0.13393 0.13602 0.14344 0.14459 0.14938 0.15170 0.15441 0.18177 0.19208 0.19287 0.19452 0.21850 0.24417 0.25190 0.26885 0.28259 0.28638 0.30425 0.31086 0.31774 0.32115 0.32513 0.32612 0.33106 0.33309 0.33442 0.33534 0.33585 0.33873 0.34272 0.34360 0.34591 0.34836 0.35290 0.35412 0.36037 0.56822 RFO step: Lambda=-3.55466643D-08. 1 2 0.00027896 0.00000004 0.00000037 0.00000037 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2.85023 2.92598 2.07612 2.07140 2.52668 2.05427 2.81629 2.84282 2.88147 2.87230 2.05370 2.84750 2.05085 2.04789 2.89627 2.87084 2.91014 2.07644 2.06601 2.07473 2.07432 2.07315 2.06767 2.06823 2.06900 2.06536 2.06875 1.96916 1.92212 1.91945 1.91616 1.89769 1.83428 2.13841 2.05568 2.08893 2.10201 2.14618 2.03490 2.07405 2.07781 2.01306 2.02558 2.03858 2.05792 2.03995 2.05124 2.09380 1.99084 2.03039 2.04286 2.09236 2.01986 2.02399 1.95652 1.91769 1.87829 1.94586 1.88283 1.87941 1.94810 1.94056 1.94008 1.88645 1.88832 1.85681 1.93728 1.95927 1.93303 1.88069 1.87590 1.87424 1.92530 1.95717 1.93628 1.87360 1.88211 1.88658 0.54732 -2.61326 -1.60041 1.52219 2.66928 -0.49130 -0.81655 1.35738 -2.88413 1.33450 -2.77476 -0.73308 -2.95077 -0.77684 1.26484 0.01184 3.13761 -3.11042 0.01535 0.92600 -0.27612 -2.83276 -2.20075 2.88032 0.32368 0.00491 2.11290 -2.10513 3.13125 -1.04395 1.02121 2.51421 0.03928 -0.00593 -2.48086 -0.04962 -2.54975 2.49868 -0.00145 -2.56096 0.00248 -0.00870 2.55474 0.58100 -1.57722 2.64588 -0.63295 -2.79117 1.43193 3.08811 0.92988 -1.13020 -2.78416 1.39301 -0.70181 -1.58995 2.58722 0.49241 0.99656 -1.10946 3.07891 0.95972 3.04705 -1.12472 3.13980 -1.05607 1.05535 -1.08125 1.00607 3.11749 0.00000 0.00002 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00000 0.00002 0.00001 0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00015 0.00002 0.00001 -0.00004 -0.00002 -0.00000 0.00003 0.00010 0.00018 -0.00003 0.00015 -0.00001 -0.00003 0.00010 0.00007 0.00013 -0.00001 0.00001 0.00004 0.00003 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 0.00004 0.00001 0.00004 -0.00002 0.00001 -0.00009 0.00004 -0.00009 0.00005 0.00000 -0.00004 0.00004 0.00011 0.00003 -0.00005 -0.00006 0.00001 0.00001 0.00013 0.00001 0.00006 -0.00013 -0.00001 0.00005 -0.00001 -0.00008 0.00004 -0.00000 -0.00002 -0.00003 0.00014 0.00003 -0.00013 0.00004 0.00009 0.00011 -0.00006 -0.00006 -0.00012 0.00006 0.00009 0.00005 -0.00010 -0.00007 -0.00004 -0.00002 0.00003 0.00011 -0.00004 -0.00005 -0.00003 0.00003 -0.00006 0.00002 -0.00007 0.00010 0.00002 0.00014 0.00030 0.00012 0.00017 0.00033 0.00015 0.00005 0.00021 0.00003 -0.00009 -0.00004 -0.00000 0.00005 0.00006 0.00001 0.00003 0.00001 -0.00004 -0.00001 -0.00000 0.00001 -0.00002 0.00005 0.00006 0.00003 0.00000 0.00003 0.00003 0.00006 0.00013 -0.00000 0.00009 -0.00005 0.00001 -0.00006 -0.00016 -0.00023 -0.00022 -0.00030 -0.00024 -0.00019 -0.00026 -0.00021 -0.00008 -0.00016 -0.00010 0.00022 0.00025 0.00020 0.00018 0.00020 0.00016 0.00010 0.00013 0.00008 0.00015 0.00011 0.00016 0.00023 0.00019 0.00024 0.00027 0.00023 0.00028 -0.00000 -0.00007 -0.00002 -0.00001 0.00004 0.00002 0.00000 -0.00002 -0.00010 -0.00009 0.00004 -0.00009 0.00002 0.00003 -0.00004 -0.00004 -0.00003 0.00000 -0.00001 -0.00003 -0.00003 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00003 -0.00004 -0.00005 0.00001 -0.00003 0.00008 0.00000 0.00006 -0.00007 0.00001 0.00003 -0.00004 -0.00005 -0.00001 0.00003 0.00004 -0.00003 -0.00006 -0.00008 -0.00005 -0.00002 0.00012 0.00005 -0.00001 -0.00003 0.00005 -0.00003 0.00006 0.00003 -0.00001 -0.00005 -0.00012 0.00008 -0.00003 -0.00008 -0.00008 0.00004 0.00005 0.00012 -0.00006 -0.00008 -0.00004 0.00010 0.00005 0.00003 -0.00001 -0.00003 -0.00005 0.00003 0.00003 0.00002 -0.00015 -0.00011 -0.00015 -0.00011 -0.00020 -0.00016 0.00018 0.00019 0.00030 0.00016 0.00016 0.00027 0.00025 0.00025 0.00036 0.00002 0.00003 -0.00002 -0.00001 0.00004 0.00006 0.00009 0.00003 0.00005 0.00008 -0.00005 -0.00007 -0.00003 -0.00003 -0.00006 -0.00002 0.00003 0.00001 -0.00002 -0.00004 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00016 0.00013 -0.00010 -0.00015 -0.00015 -0.00011 -0.00016 -0.00016 -0.00010 -0.00015 -0.00015 0.00004 0.00001 0.00004 0.00005 0.00002 0.00005 0.00002 -0.00002 0.00002 -0.00021 -0.00019 -0.00022 -0.00014 -0.00013 -0.00015 -0.00026 -0.00025 -0.00027 -0.00001 0.00007 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00008 0.00001 0.00006 0.00001 0.00000 0.00006 0.00003 0.00009 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00007 -0.00003 -0.00001 -0.00001 -0.00002 -0.00001 0.00004 -0.00003 -0.00002 0.00002 -0.00001 -0.00000 0.00006 0.00001 -0.00002 -0.00002 -0.00003 -0.00004 0.00005 -0.00004 0.00004 -0.00001 0.00004 0.00004 -0.00004 -0.00003 0.00001 0.00006 0.00001 -0.00004 0.00009 -0.00009 -0.00005 0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00003 -0.00000 0.00006 -0.00000 -0.00002 -0.00001 -0.00012 -0.00016 -0.00013 -0.00018 -0.00010 -0.00014 0.00032 0.00049 0.00042 0.00032 0.00049 0.00042 0.00030 0.00046 0.00039 -0.00007 -0.00000 -0.00002 0.00004 0.00010 0.00006 0.00013 0.00004 0.00000 0.00007 -0.00005 -0.00006 -0.00005 0.00001 -0.00000 0.00001 0.00003 0.00004 0.00001 0.00002 0.00014 0.00000 0.00008 -0.00005 0.00003 -0.00008 -0.00000 -0.00010 -0.00033 -0.00045 -0.00039 -0.00030 -0.00042 -0.00037 -0.00019 -0.00031 -0.00025 0.00026 0.00025 0.00025 0.00023 0.00022 0.00022 0.00012 0.00011 0.00010 -0.00006 -0.00008 -0.00005 0.00009 0.00007 0.00009 0.00001 -0.00002 0.00001 2.85023 2.92606 2.07612 2.07140 2.52668 2.05427 2.81629 2.84283 2.88148 2.87238 2.05371 2.84756 2.05086 2.04790 2.89633 2.87087 2.91023 2.07643 2.06601 2.07473 2.07433 2.07315 2.06767 2.06823 2.06900 2.06536 2.06874 1.96923 1.92209 1.91944 1.91615 1.89767 1.83427 2.13846 2.05565 2.08892 2.10203 2.14617 2.03489 2.07410 2.07782 2.01304 2.02556 2.03855 2.05788 2.04000 2.05120 2.09384 1.99083 2.03043 2.04290 2.09232 2.01983 2.02400 1.95657 1.91770 1.87825 1.94596 1.88274 1.87936 1.94810 1.94056 1.94010 1.88643 1.88831 1.85681 1.93729 1.95929 1.93304 1.88068 1.87588 1.87423 1.92527 1.95717 1.93634 1.87360 1.88209 1.88657 0.54720 -2.61342 -1.60055 1.52202 2.66917 -0.49145 -0.81623 1.35786 -2.88371 1.33482 -2.77427 -0.73266 -2.95048 -0.77638 1.26523 0.01177 3.13761 -3.11044 0.01539 0.92610 -0.27606 -2.83263 -2.20071 2.88032 0.32375 0.00487 2.11284 -2.10518 3.13126 -1.04395 1.02121 2.51424 0.03932 -0.00592 -2.48084 -0.04948 -2.54974 2.49875 -0.00151 -2.56093 0.00241 -0.00870 2.55464 0.58067 -1.57767 2.64549 -0.63325 -2.79159 1.43157 3.08792 0.92957 -1.13045 -2.78390 1.39326 -0.70156 -1.58972 2.58744 0.49262 0.99667 -1.10935 3.07901 0.95967 3.04697 -1.12477 3.13989 -1.05600 1.05544 -1.08125 1.00605 3.11750 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000005 0.001225 0.000279 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.771250e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 2 7 11 12 3 13 4 8 5 6 14 6 15 16 7 9 10 17 18 19 20 21 22 23 24 25 26 1.5083 1.5484 1.0986 1.0961 1.3371 1.0871 1.4903 1.5044 1.5248 1.52 1.0868 1.5068 1.0853 1.0837 1.5326 1.5192 1.54 1.0988 1.0933 1.0979 1.0977 1.0971 1.0942 1.0945 1.0949 1.0929 1.0947 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 7 7 11 1 1 3 2 2 4 3 3 3 5 6 4 4 6 6 15 4 4 5 5 7 1 1 1 6 6 10 3 3 3 18 18 19 6 6 6 21 21 22 7 7 7 24 24 25 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 7 11 12 11 12 12 3 13 13 4 8 8 5 6 14 14 14 15 16 15 16 16 7 9 7 9 9 6 10 17 10 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 112.8247 110.1296 109.9764 109.7879 108.7298 105.0964 122.5221 117.782 119.687 120.4362 122.967 116.591 118.8341 119.0499 115.3397 116.0574 116.8019 117.9103 116.8808 117.5275 119.9661 114.0666 116.3325 117.0473 119.8833 115.7292 115.9661 112.1001 109.8755 107.6179 111.4898 107.8784 107.6823 111.6177 111.1857 111.1582 108.0855 108.1928 106.3877 110.9981 112.2579 110.7542 107.7554 107.481 107.386 110.3117 112.1378 110.9406 107.3495 107.8367 108.0929 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 7 7 11 11 12 12 2 2 2 11 11 11 12 12 12 1 1 13 13 2 2 2 8 8 8 2 2 2 4 4 4 3 3 14 14 3 3 14 14 15 15 16 16 4 4 4 5 5 5 9 9 9 4 4 4 5 5 5 7 7 7 1 1 1 6 6 6 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 2 2 2 2 2 2 7 7 7 7 7 7 7 7 7 3 3 3 3 4 4 4 4 4 4 8 8 8 8 8 8 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 3 13 3 13 3 13 6 10 17 6 10 17 6 10 17 4 8 4 8 5 6 14 5 6 14 18 19 20 18 19 20 15 16 15 16 7 9 7 9 7 9 7 9 1 10 17 1 10 17 1 10 17 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 31.3591 -149.7288 -91.6969 87.2152 152.9382 -28.1496 -46.785 77.7719 -165.2484 76.461 -158.9821 -42.0024 -169.0668 -44.5099 72.4698 0.6784 179.7717 -178.2137 0.8796 53.0558 -15.8205 -162.305 -126.0936 165.0301 18.5456 0.2815 121.0602 -120.6151 179.4073 -59.814 58.5108 144.0535 2.2504 -0.3395 -142.1426 -2.8428 -146.0897 143.1636 -0.0833 -146.732 0.1422 -0.4986 146.3756 33.2888 -90.3682 151.5979 -36.2653 -159.9223 82.0438 176.9354 53.2785 -64.7554 -159.5207 79.8134 -40.2107 -91.0972 148.2369 28.2128 57.0984 -63.5676 176.4084 54.9882 174.583 -64.4417 179.8971 -60.5081 60.4672 -61.9513 57.6435 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.508745 0.000000 2.494860 1.338833 0.000000 2.898777 2.456750 1.490664 0.000000 2.973453 3.096917 2.584376 1.520292 0.000000 2.544443 2.924167 2.585737 1.511960 1.499651 0.000000 1.541012 2.534903 2.909068 2.580879 2.623739 1.527952 0.000000 3.901487 2.500864 1.503241 2.544540 3.745320 3.919368 4.378030 0.000000 3.929117 4.354316 3.867924 2.578654 2.560788 1.516029 2.576560 5.001414 0.000000 2.520506 3.160461 3.502028 3.353369 3.891439 2.516734 1.534080 4.749714 3.010594 0.000000 1.097807 2.149424 3.027322 3.291876 2.875619 2.913966 2.174954 4.393214 4.317679 3.453560 0.000000 1.095686 2.144804 3.339772 3.908316 4.054038 3.472511 2.158701 4.616640 4.718504 2.637472 1.747024 0.000000 2.239636 1.087953 2.099713 3.448744 4.120741 4.008137 3.480363 2.714187 5.419066 3.897764 2.771568 2.444933 0.000000 3.953772 3.379742 2.192904 1.088271 2.228317 2.225849 3.478779 2.680307 2.712710 3.994026 4.379169 4.923401 4.276389 0.000000 4.038424 4.152785 3.486775 2.243482 1.085654 2.220658 3.531289 4.432320 2.700620 4.732648 3.857352 5.107163 5.158267 2.511295 0.000000 2.669374 2.884423 2.726302 2.223584 1.084989 2.244632 2.829666 3.907053 3.497603 4.262841 2.218976 3.717489 3.783381 3.092683 1.827720 0.000000 2.149917 3.449832 3.915534 3.448728 3.056826 2.138341 1.099140 5.408296 2.838288 2.149823 2.380885 2.540044 4.336123 4.322462 3.804350 3.145835 0.000000 4.144273 2.637002 2.157321 3.480505 4.587526 4.728714 4.905033 1.092662 5.909489 5.190167 4.639341 4.660662 2.387816 3.746236 5.360904 4.559806 5.929046 0.000000 4.525811 3.220548 2.151593 2.828715 4.240210 4.164312 4.719247 1.096332 4.976202 4.805891 5.166119 5.196259 3.482807 2.612004 4.828516 4.630754 5.790713 1.775124 0.000000 4.524159 3.218274 2.150229 2.811908 3.749341 4.292894 4.988582 1.096159 5.329124 5.572424 4.800130 5.352036 3.475121 2.787947 4.234069 3.871645 5.940019 1.776511 1.762210 0.000000 4.258197 4.993925 4.718691 3.491727 3.101621 2.162471 2.815947 5.965503 1.096470 3.308246 4.511038 4.940829 6.054814 3.755963 3.154175 3.875320 2.639087 6.826801 6.016553 6.288432 0.000000 4.294983 4.601986 4.105016 3.002048 3.432106 2.173367 2.902863 5.110258 1.093930 2.748181 4.902729 4.942395 5.594103 2.968324 3.671003 4.361379 3.305638 5.979598 4.880307 5.585409 1.774712 0.000000 4.702295 4.925864 4.193992 2.739468 2.636145 2.158754 3.509976 5.122156 1.094167 4.035606 4.980473 5.597072 5.992424 2.528406 2.363616 3.683395 3.793104 6.130194 5.045275 5.249931 1.770339 1.766039 0.000000 2.706159 3.495511 4.156487 4.273025 4.737379 3.470855 2.174095 5.373335 4.042527 1.094396 3.627458 2.358277 4.001204 4.994022 5.641758 4.923087 2.523037 5.625385 5.497316 6.263966 4.190418 3.790238 5.092690 0.000000 3.484044 4.167107 4.316608 3.855569 4.300602 2.814262 2.190607 5.520343 2.720960 1.093034 4.301947 3.639365 4.961037 4.308515 4.959522 4.838917 2.473903 6.071031 5.440441 6.287275 2.841109 2.239050 3.768372 1.764563 0.000000 2.823709 2.902556 3.023905 3.086755 4.029030 2.743175 2.173905 4.033072 3.284615 1.095504 3.866528 3.020669 3.547858 3.568877 4.880668 4.475297 3.064839 4.450647 3.932268 4.945022 3.874436 2.846371 4.155799 1.772712 1.773542 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8174985 1.2507259 0.9785110 -10.18884 -10.18190 -10.18098 -10.17780 -10.17639 -10.17401 -10.17324 -10.17210 -10.16373 -10.16161 -0.87768 -0.78753 -0.77462 -0.71228 -0.69127 -0.64731 -0.60956 -0.59280 -0.54665 -0.49487 -0.46189 -0.45549 -0.44513 -0.41950 -0.41579 -0.40619 -0.39680 -0.39117 -0.37972 -0.36900 -0.35410 -0.34529 -0.34024 -0.32551 -0.30430 -0.29118 -0.26324 -0.21211 0.02943 0.08862 0.10749 0.11892 0.12513 0.13052 0.13967 0.14956 0.15328 0.16647 0.16794 0.17942 0.18481 0.19100 0.19742 0.20106 0.21395 0.22505 0.23037 0.23556 0.25164 0.26867 0.27330 0.27690 0.30089 0.32389 0.37441 0.40465 0.41809 0.45715 0.46322 0.47476 0.48573 0.48913 0.49825 0.50534 0.52285 0.53179 0.54896 0.56896 0.57557 0.57726 0.58514 0.60844 0.62473 0.64437 0.64976 0.66050 0.67489 0.68097 0.68667 0.70332 0.71498 0.72957 0.73491 0.74032 0.74793 0.75152 0.75741 0.76638 0.77321 0.78279 0.78830 0.79543 0.81399 0.81505 0.83662 0.83992 0.85333 0.87770 0.88513 0.88726 0.90630 0.92121 0.95828 0.97667 1.01207 1.02329 1.03620 1.08169 1.11056 1.13022 1.15286 1.17207 1.18700 1.20661 1.21675 1.24370 1.26337 1.28624 1.32399 1.34632 1.36040 1.37736 1.38369 1.40993 1.41456 1.42671 1.44202 1.44854 1.47625 1.49223 1.50410 1.50868 1.52481 1.54328 1.55051 1.57193 1.58682 1.61284 1.62712 1.64570 1.65715 1.67238 1.68552 1.72695 1.74049 1.75821 1.78572 1.79904 1.83523 1.85107 1.87766 1.89719 1.90620 1.93298 1.93809 1.94740 1.97293 1.98108 1.99824 2.00151 2.03026 2.04848 2.09689 2.11765 2.19718 2.22418 2.24311 2.26153 2.28006 2.30429 2.32476 2.34322 2.35277 2.37711 2.39415 2.41581 2.43509 2.44570 2.46120 2.47399 2.51432 2.53550 2.54310 2.59149 2.59305 2.65822 2.68410 2.71537 2.74411 2.75356 2.77834 2.78496 2.79141 2.81524 2.83088 2.83157 2.85117 2.86451 2.87828 2.88910 2.90644 2.92210 2.93009 2.94406 2.95991 2.96777 2.97426 2.98275 2.98699 3.01288 3.02726 3.03051 3.03754 3.07376 3.10851 3.11870 3.14083 3.16210 3.17590 3.18894 3.20060 3.21790 3.23246 3.26261 3.27628 3.30026 3.31549 3.32014 3.33483 3.35428 3.36312 3.38465 3.40798 3.43014 3.44573 3.45940 3.48782 3.50463 3.51611 3.52596 3.54630 3.59478 3.60152 3.61120 3.63317 3.66512 3.67583 3.67893 3.69844 3.70633 3.73539 3.74542 3.77671 3.80744 3.81789 3.83889 3.84139 3.88746 3.91827 3.93715 3.97848 3.98370 4.02847 4.05489 4.06697 4.11487 4.14499 4.16815 4.18055 4.20902 4.25179 4.29006 4.32481 4.35506 4.37172 4.40135 4.41172 4.44589 4.45713 4.46936 4.48299 4.49663 4.52211 4.54084 4.58080 4.59612 4.60431 4.61063 4.63553 4.64311 4.65839 4.68005 4.69439 4.69909 4.72428 4.72978 4.73430 4.74187 4.75594 4.77801 4.79116 4.79896 4.81388 4.82418 4.84463 4.85806 4.87284 4.88794 4.90111 4.91027 4.92963 4.93676 4.96390 5.00571 5.02339 5.03373 5.06479 5.10029 5.13305 5.18631 5.24953 5.28808 5.31178 5.38352 5.42222 5.46072 5.50730 5.51710 5.57083 5.60811 5.64777 5.65327 5.70430 5.74723 5.77424 5.90408 5.98193 6.16705 6.26323 7.20568 10.47176 10.98174 11.38279 11.63021 11.71901 12.09267 12.33035 12.42709 12.52894 12.95826 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.293221 -0.178747 0.351559 -0.146519 -0.352664 0.364566 -0.051357 -0.489044 -0.472405 -0.389841 0.103436 0.093324 0.072916 0.069624 0.101901 0.113879 0.064601 0.117123 0.120554 0.123353 0.111493 0.119425 0.109098 0.104418 0.110921 0.121606 -0.00000 0.1885 -0.2644 -0.0114 0.3249 -62.7868 -61.6025 -63.3489 -0.0639 0.6412 0.9517 -0.2074 0.9769 -0.7695 -0.0639 0.6412 0.9517 -1.1799 -1.1928 0.6687 -0.6972 1.5709 -1.2072 0.0693 -1.3446 0.9771 -0.3684 -1016.2564 -635.3492 -325.0834 -3.0065 2.8715 -3.0019 0.1795 1.1772 3.8725 -279.3381 -230.0123 -168.3019 -0.6123 2.6680 1.1907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 390 390 390 390 390 MxSgAt= 26 MxSgA2= 26. GTBas3 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.8557675384 360 552 390 38 38 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 26 26 26 1.00e+00 60 F GTBas3 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484844 360 552 390 38 38 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 26 26 26 1.00e+00 60 F 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= 360 RedAO= T EigKep= 3.38D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 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= 390 390 390 390 390 MxSgAt= 26 MxSgA2= 26. 1 Closed 1 0 1 -390.340853693710 -390.496756606523 -0.155902912813 -390.691045912986 -0.194289306463 -390.695546079677 -0.004500166690 -390.697261408799 -0.001715329122 -390.697304717357 -0.000043308558 -390.697272501528 0.000032215830 -390.697271201602 0.000001299926 -390.697273123188 -0.000001921586 -390.697273184337 -0.000000061149 -390.697273189559 -0.000000005222 -390.697273189972 -0.000000000414 -390.697273190 12 3.872741390134e+02 -2.018994028611e+03 6.832421204308e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1341863054 LenY= 1341710513 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. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111 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. 7679 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1342177280 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= 920000000 NMat= 78 IRICut= 195 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=2. 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= 78 NMatS0= 78 NMatT0= 0 NMatD0= 78 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 88.96% of shell-pairs survive, threshold= 0.20 IRatSp=89. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.51D-14 1.23D-09 XBig12= 9.10D+01 5.56D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.51D-14 1.23D-09 XBig12= 1.45D+01 1.32D+00. 78 vectors produced by pass 2 Test12= 1.51D-14 1.23D-09 XBig12= 1.34D-01 4.63D-02. 78 vectors produced by pass 3 Test12= 1.51D-14 1.23D-09 XBig12= 3.31D-04 2.65D-03. 78 vectors produced by pass 4 Test12= 1.51D-14 1.23D-09 XBig12= 4.20D-07 6.02D-05. 45 vectors produced by pass 5 Test12= 1.51D-14 1.23D-09 XBig12= 3.47D-10 1.96D-06. 5 vectors produced by pass 6 Test12= 1.51D-14 1.23D-09 XBig12= 3.20D-13 5.07D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 440 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 101.65 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 109.028 0.428 108.605 2.433 3.660 87.310 145.862 2.569 164.884 5.746 9.786 135.817 7.41606352e-02 -1.04025152e-01 -4.49201214e-03 1.09027768e+02 4.28249515e-01 1.08605445e+02 2.43343786e+00 3.65978284e+00 8.73100590e+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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002323584 0.000439883 0.001801059 0.001587064 -0.000249810 0.002176729 -0.001153027 0.000105012 -0.001110798 -0.000649531 -0.000577105 0.004819769 0.001168936 0.004416515 -0.000397128 0.000081621 -0.002221217 -0.002441248 0.001445203 0.000855543 -0.001402308 -0.001022487 0.000031803 -0.001916042 0.000467713 0.000483969 -0.000037274 -0.000544982 -0.002233181 -0.000215546 -0.000699920 0.000116150 -0.000583421 -0.000422068 0.000500964 -0.000376025 0.000296387 0.000179658 -0.000836467 -0.000959170 0.000488528 -0.000203657 -0.000652027 0.000668980 -0.000174276 0.001806806 0.000222372 -0.000288948 -0.000528320 -0.000406371 0.000024373 -0.000090741 -0.000000686 0.000700656 0.000499160 -0.000222582 0.001217441 0.000433387 0.000184476 0.001293100 0.000875593 -0.000497259 -0.000192337 0.000746804 -0.000187879 -0.000718685 0.000538962 -0.000427917 -0.000316370 -0.000116023 -0.000571248 -0.000084743 -0.000308984 -0.000425689 0.000221285 -0.000476771 -0.000672910 -0.000959140 0.004819769 0.001172851 (Enter /private/chem/g16E01/g16/l716.exe) Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111 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. 7679 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1342177280 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= 920000000 NMat= 78 IRICut= 195 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=2. 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= 78 NMatS0= 78 NMatT0= 0 NMatD0= 78 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 88.63% of shell-pairs survive, threshold= 0.20 IRatSp=89. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.51D-14 1.23D-09 XBig12= 9.14D+01 5.57D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.51D-14 1.23D-09 XBig12= 1.43D+01 1.31D+00. 78 vectors produced by pass 2 Test12= 1.51D-14 1.23D-09 XBig12= 1.33D-01 4.63D-02. 78 vectors produced by pass 3 Test12= 1.51D-14 1.23D-09 XBig12= 3.28D-04 2.63D-03. 78 vectors produced by pass 4 Test12= 1.51D-14 1.23D-09 XBig12= 4.14D-07 5.73D-05. 43 vectors produced by pass 5 Test12= 1.51D-14 1.23D-09 XBig12= 3.42D-10 1.95D-06. 4 vectors produced by pass 6 Test12= 1.51D-14 1.23D-09 XBig12= 3.14D-13 5.20D-08. 1 vectors produced by pass 7 Test12= 1.51D-14 1.23D-09 XBig12= 3.04D-16 1.41D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 438 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 102.09 Bohr**3. End of Minotr F.D. properties file 721 does not exist. Closed 1 0 1 -390.697646695484 -390.697703624445 -0.000056928961 -390.697663620864 0.000040003581 -390.697663779976 -0.000000159112 -390.697663773954 0.000000006023 -390.697663822277 -0.000000048323 -390.697663822764 -0.000000000487 -390.697663822822 -0.000000000059 -390.697663823 8 3.872032600309e+02 -2.014860982900e+03 6.812203105621e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1341863054 LenY= 1341710513 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. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 26. Will process 27 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111 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. 7679 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1342177280 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= 920000000 NMat= 78 IRICut= 195 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=2. 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= 78 NMatS0= 78 NMatT0= 0 NMatD0= 78 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 88.60% of shell-pairs survive, threshold= 0.20 IRatSp=89. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.51D-14 1.23D-09 XBig12= 9.15D+01 5.57D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.51D-14 1.23D-09 XBig12= 1.43D+01 1.31D+00. 78 vectors produced by pass 2 Test12= 1.51D-14 1.23D-09 XBig12= 1.33D-01 4.63D-02. 78 vectors produced by pass 3 Test12= 1.51D-14 1.23D-09 XBig12= 3.28D-04 2.63D-03. 78 vectors produced by pass 4 Test12= 1.51D-14 1.23D-09 XBig12= 4.14D-07 5.68D-05. 43 vectors produced by pass 5 Test12= 1.51D-14 1.23D-09 XBig12= 3.42D-10 1.92D-06. 4 vectors produced by pass 6 Test12= 1.51D-14 1.23D-09 XBig12= 3.14D-13 5.28D-08. 1 vectors produced by pass 7 Test12= 1.51D-14 1.23D-09 XBig12= 3.04D-16 1.45D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 438 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 102.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 109.746 0.635 109.178 2.508 3.599 87.426 146.531 2.997 165.398 5.863 9.453 135.895 (Enter /private/chem/g16E01/g16/l716.exe) Rotating derivatives to standard orientation. PT40589.200S 2019-02-16T10:50:56.000+01:00 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 C C C C C C C C C C -0.096460 -0.105831 0.351559 -0.076895 -0.136884 0.364566 0.013245 -0.128014 -0.132389 -0.052896 -0.00000 -10.19067 -10.18349 -10.18192 -10.17804 -10.17683 -10.17464 -10.17360 -10.17250 -10.16453 -10.16174 -0.87444 -0.78664 -0.77345 -0.71120 -0.69132 -0.64697 -0.61002 -0.59312 -0.54661 -0.49386 -0.46134 -0.45502 -0.44474 -0.41850 -0.41583 -0.40489 -0.39643 -0.39064 -0.37971 -0.36851 -0.35420 -0.34462 -0.34058 -0.32602 -0.30456 -0.29119 -0.26250 -0.21236 0.02915 0.08894 0.10754 0.11873 0.12609 0.12933 0.13956 0.14929 0.15427 0.16524 0.16732 0.17850 0.18351 0.19026 0.19768 0.19968 0.21361 0.22430 0.22882 0.23374 0.25155 0.26734 0.27237 0.27602 0.30022 0.32142 0.37605 0.40508 0.41774 0.45819 0.46329 0.47442 0.48415 0.48827 0.49779 0.50524 0.52256 0.52922 0.54854 0.56722 0.57236 0.57579 0.58303 0.60866 0.62217 0.64446 0.64991 0.66252 0.67360 0.68039 0.68543 0.70231 0.71337 0.72988 0.73256 0.74075 0.74679 0.75141 0.75601 0.76567 0.77324 0.78225 0.78605 0.79452 0.81308 0.81442 0.83643 0.84034 0.85313 0.87747 0.88429 0.88670 0.90457 0.92008 0.95636 0.97280 1.00668 1.02177 1.03661 1.07776 1.10477 1.12573 1.14912 1.16889 1.18550 1.20579 1.21435 1.24137 1.26126 1.28373 1.32053 1.34475 1.35789 1.37518 1.38215 1.40710 1.40876 1.42066 1.43919 1.45036 1.47263 1.48762 1.50171 1.50585 1.52056 1.54071 1.55013 1.56647 1.58455 1.61197 1.62470 1.64004 1.65281 1.67000 1.68325 1.72532 1.73592 1.75585 1.78101 1.79760 1.83335 1.84859 1.87721 1.89743 1.90740 1.93094 1.93509 1.94731 1.97339 1.97856 1.99405 1.99893 2.02536 2.04780 2.09297 2.11386 2.19192 2.22521 2.24064 2.26108 2.27781 2.29858 2.32313 2.33741 2.35110 2.37205 2.39025 2.41177 2.43173 2.44618 2.46080 2.47238 2.51529 2.53748 2.54301 2.58658 2.58947 2.65076 2.68175 2.71050 2.73960 2.75072 2.77312 2.77941 2.78824 2.81084 2.82888 2.82974 2.85097 2.86268 2.87704 2.88873 2.90546 2.92055 2.93074 2.94129 2.95782 2.96562 2.97097 2.98103 2.98580 3.00837 3.02550 3.02958 3.03832 3.06996 3.10510 3.11161 3.13790 3.15530 3.16980 3.18210 3.19901 3.21329 3.22874 3.26156 3.26914 3.29733 3.30963 3.31367 3.32703 3.35145 3.35691 3.38120 3.40477 3.42456 3.43793 3.45118 3.48120 3.49773 3.51317 3.52172 3.54145 3.59097 3.59607 3.60969 3.62998 3.66218 3.66765 3.67266 3.69088 3.69947 3.73132 3.74256 3.77046 3.80607 3.81474 3.83148 3.83550 3.87653 3.91131 3.93849 3.97430 3.97827 4.02059 4.04285 4.06167 4.10061 4.13713 4.16140 4.17946 4.20382 4.24203 4.28136 4.31895 4.35194 4.36368 4.39140 4.40567 4.43984 4.45153 4.46577 4.48069 4.49363 4.51882 4.53360 4.56191 4.58856 4.60030 4.60189 4.63055 4.63981 4.65267 4.67486 4.68911 4.69355 4.71858 4.71958 4.72772 4.74091 4.75048 4.76906 4.79172 4.79214 4.81219 4.82108 4.83821 4.85144 4.86373 4.88373 4.89849 4.91170 4.91712 4.92717 4.96041 4.99617 5.00702 5.02165 5.06546 5.08766 5.12601 5.17725 5.24643 5.27335 5.30122 5.37378 5.40339 5.45384 5.49260 5.50639 5.55446 5.60098 5.63824 5.64114 5.69282 5.74291 5.75624 5.89334 5.96765 6.12630 6.23477 7.16571 10.43889 10.96437 11.37646 11.61925 11.70819 12.07389 12.32304 12.42325 12.51270 12.94400 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.293436 -0.175659 0.353334 -0.150099 -0.349242 0.357231 -0.052427 -0.489960 -0.472098 -0.392512 0.103751 0.093997 0.073064 0.070251 0.102865 0.113801 0.066489 0.117495 0.120386 0.123128 0.111970 0.119152 0.109739 0.105917 0.111216 0.121646 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 C C C C C C C C C C -0.095688 -0.102595 0.353334 -0.079848 -0.132576 0.357231 0.014062 -0.128951 -0.131237 -0.053732 -0.00000 7.38412470e-02 -9.95139311e-02 2.87562482e-04 1.09746341e+02 6.35275407e-01 1.09178328e+02 2.50769247e+00 3.59870795e+00 8.74256810e+01 -4.4640 -4.1157 -0.0005 -0.0004 0.0008 6.4502 101.7445 139.9289 190.6442 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 101.7439 139.9285 190.6441 204.6409 216.9565 266.3274 279.5514 302.9428 361.4994 382.4357 394.6300 422.1179 494.2055 519.1036 582.8362 639.9403 736.5704 797.3388 817.3084 834.6025 874.9192 895.7275 936.2251 948.8574 977.9891 993.9113 1027.0038 1049.0071 1060.2845 1070.9009 1076.9862 1090.5434 1102.8797 1129.3113 1144.2435 1178.8587 1234.4037 1249.4568 1285.4895 1316.9230 1350.1232 1361.7034 1379.7151 1406.2138 1412.2010 1416.8161 1426.6810 1478.0853 1479.3373 1490.1390 1492.3996 1494.6313 1500.6780 1505.4832 1515.7139 1727.9042 2996.4619 3011.4178 3012.4638 3023.4380 3037.5140 3048.9169 3057.8422 3086.4136 3099.4710 3103.5883 3109.1069 3117.1478 3129.9251 3137.1594 3152.9430 3217.3859 2.8201 2.4816 1.0983 1.1487 1.2010 2.6181 2.3455 1.8489 2.2511 2.4034 2.8980 2.0895 3.7022 3.2149 2.8076 3.6279 2.3672 1.8008 1.4400 2.4037 2.3113 1.7552 1.6052 1.8487 1.6338 1.5438 1.6892 1.6581 1.6343 1.6085 1.5210 1.7274 1.6480 1.4329 2.0399 1.7459 1.3613 1.9592 1.7081 1.8566 1.3932 1.6557 1.5731 1.2547 1.2668 1.2399 2.1994 1.0599 1.1566 1.0595 1.0709 1.0585 1.0846 1.1424 1.0546 6.8251 1.0771 1.0747 1.0385 1.0383 1.0384 1.0892 1.0986 1.0976 1.1013 1.1005 1.0989 1.1001 1.0577 1.0857 1.0897 1.1152 0.0172 0.0286 0.0235 0.0283 0.0333 0.1094 0.1080 0.1000 0.1733 0.2071 0.2659 0.2194 0.5327 0.5104 0.5619 0.8754 0.7567 0.6745 0.5667 0.9865 1.0424 0.8297 0.8290 0.9807 0.9207 0.8985 1.0497 1.0750 1.0825 1.0869 1.0394 1.2104 1.1810 1.0767 1.5736 1.4295 1.2222 1.8021 1.6631 1.8971 1.4963 1.8088 1.7644 1.4619 1.4885 1.4665 2.6376 1.3644 1.4913 1.3862 1.4053 1.3932 1.4391 1.5256 1.4275 12.0061 5.6982 5.7422 5.5525 5.5920 5.6448 5.9655 6.0521 6.1605 6.2333 6.2456 6.2585 6.2982 6.1048 6.2953 6.3828 6.8016 0.1301 0.3219 0.4541 0.1768 0.0423 1.0060 0.3918 0.2682 0.3433 0.4058 0.2306 0.2710 1.6399 0.0178 1.4807 0.2351 1.7229 1.9569 7.3170 0.9658 7.4294 1.2710 1.2494 2.8621 1.7333 2.3823 2.9526 1.0216 3.8094 0.4416 6.0073 2.2795 1.1134 1.3417 6.8881 6.2095 2.3423 1.3683 0.5226 0.0678 6.6078 1.8881 1.2822 6.1206 0.6066 2.3758 7.4571 6.2655 0.4952 3.9285 5.2846 4.9948 1.2291 7.7431 0.4900 4.0748 13.8397 65.3062 28.3137 37.0383 15.5664 35.5126 20.6950 20.6581 36.4592 21.1846 20.3995 29.2583 18.9070 23.7903 24.8949 10.2455 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.04 0.04 -0.10 -0.03 0.01 -0.09 -0.04 -0.02 -0.01 -0.02 0.01 -0.03 -0.01 -0.01 -0.03 -0.02 0.01 -0.03 0.01 0.00 0.04 -0.09 -0.10 0.16 -0.04 0.02 -0.07 0.26 0.05 0.12 -0.10 0.13 -0.09 -0.04 0.04 -0.17 -0.05 -0.01 -0.07 -0.00 0.01 -0.04 -0.00 -0.01 -0.04 -0.00 -0.01 -0.03 -0.08 -0.06 0.17 -0.11 -0.12 0.14 -0.20 -0.22 0.18 -0.02 -0.05 0.30 -0.02 0.03 -0.10 -0.08 0.02 -0.07 -0.03 0.02 -0.06 0.30 0.03 0.20 0.30 0.01 0.24 0.36 0.13 -0.02 0.02 0.01 -0.01 0.01 -0.01 0.03 0.01 0.02 -0.05 0.03 0.03 -0.17 -0.10 -0.04 -0.12 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.07 0.00 0.14 0.12 -0.00 0.18 -0.03 -0.02 -0.04 0.04 0.02 -0.01 0.01 0.01 -0.02 -0.03 -0.05 0.18 0.05 0.08 -0.24 -0.09 -0.04 -0.13 -0.22 -0.09 -0.14 0.03 0.02 -0.04 -0.11 -0.03 0.33 -0.24 0.08 0.09 0.08 -0.06 0.16 -0.00 -0.08 0.42 0.39 0.06 0.23 0.06 0.01 0.05 -0.06 -0.01 -0.08 -0.04 -0.01 -0.06 -0.05 -0.06 -0.02 -0.00 0.02 -0.02 -0.02 -0.01 0.04 -0.01 -0.01 0.03 -0.00 0.00 0.01 -0.00 0.02 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.02 -0.01 -0.01 0.04 -0.02 -0.01 0.03 0.08 -0.01 -0.02 0.02 -0.08 -0.04 -0.03 0.08 -0.00 -0.00 0.01 0.00 0.02 0.03 -0.01 0.03 -0.00 -0.01 0.00 0.00 -0.17 -0.17 0.44 -0.03 0.53 -0.21 0.26 -0.37 -0.39 0.00 0.04 -0.05 -0.07 -0.05 -0.03 0.00 -0.01 0.06 0.07 -0.02 -0.02 0.04 -0.04 0.02 0.06 -0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.04 0.03 -0.02 0.08 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.03 0.01 -0.00 0.04 0.04 -0.01 0.05 -0.02 0.02 -0.04 -0.02 -0.00 -0.02 0.00 -0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 0.03 -0.00 -0.02 -0.15 -0.00 0.03 -0.05 0.14 0.48 -0.01 0.19 -0.31 -0.24 -0.28 -0.25 0.58 0.19 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.03 -0.03 -0.03 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.03 0.01 0.04 0.07 -0.00 -0.00 -0.07 -0.00 -0.00 0.03 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.03 0.02 0.02 -0.06 -0.04 -0.04 -0.03 -0.07 -0.06 -0.02 -0.00 -0.01 0.02 0.02 0.06 -0.01 -0.04 -0.02 0.02 -0.04 0.07 0.05 0.14 0.54 -0.32 -0.34 -0.25 -0.14 0.37 0.01 0.43 0.03 -0.07 -0.05 -0.02 -0.12 0.01 -0.01 -0.08 0.01 -0.01 -0.01 -0.05 -0.06 -0.12 0.15 -0.07 -0.09 0.08 -0.04 -0.08 0.03 0.06 0.03 0.00 -0.02 -0.00 -0.07 -0.02 -0.00 -0.08 -0.09 0.13 -0.07 0.09 0.04 0.06 0.12 0.03 -0.04 0.14 0.12 -0.02 -0.10 -0.01 -0.19 -0.08 -0.13 0.20 -0.06 -0.12 0.07 0.13 0.06 0.05 0.07 0.06 -0.01 -0.04 -0.04 -0.05 0.12 0.31 -0.22 -0.00 0.07 -0.04 -0.39 0.26 -0.11 0.00 0.12 0.20 0.22 0.03 0.07 0.16 0.03 0.05 0.14 0.02 0.01 0.16 0.02 0.06 0.20 0.07 -0.15 0.01 0.07 0.02 -0.06 -0.02 0.20 0.01 0.03 0.04 0.03 0.08 -0.08 -0.07 0.02 -0.05 -0.00 0.05 0.01 0.01 0.04 -0.00 0.10 -0.12 -0.05 -0.09 -0.05 -0.01 0.05 -0.04 -0.04 0.15 0.22 0.04 -0.05 0.06 -0.15 -0.11 -0.08 0.36 0.06 0.13 -0.15 -0.07 0.03 -0.04 -0.16 0.01 -0.08 0.01 0.06 -0.01 0.06 -0.15 -0.37 0.31 -0.35 0.05 0.05 -0.02 0.06 -0.04 -0.13 -0.08 -0.13 -0.11 -0.03 -0.19 -0.03 0.05 0.13 -0.05 -0.11 0.03 -0.14 0.00 0.05 -0.04 -0.04 0.02 -0.11 0.06 0.01 -0.03 0.01 -0.00 -0.00 -0.05 0.00 0.01 -0.03 -0.03 0.14 0.01 0.01 0.01 -0.05 0.03 0.01 -0.06 -0.02 -0.03 0.01 -0.02 -0.10 0.04 0.02 0.12 -0.01 0.04 -0.30 0.03 0.01 -0.08 0.25 0.03 -0.01 0.07 -0.00 -0.05 0.04 -0.06 0.16 0.15 -0.05 0.24 -0.06 0.03 -0.02 -0.06 -0.04 -0.05 0.04 -0.08 -0.05 0.01 0.03 -0.03 0.05 0.02 0.07 -0.10 -0.15 -0.35 -0.05 0.03 -0.11 0.33 -0.28 0.16 0.04 0.19 0.36 0.12 0.16 -0.07 -0.13 -0.03 0.08 -0.06 0.03 -0.11 -0.01 0.08 -0.10 -0.05 0.10 -0.06 -0.05 0.01 -0.03 0.01 0.05 0.03 0.08 0.01 0.06 0.05 -0.02 0.11 0.02 -0.09 -0.09 -0.01 -0.06 0.06 0.04 -0.04 0.32 -0.02 -0.11 0.07 -0.30 -0.05 -0.19 0.02 0.23 -0.03 -0.12 0.08 0.00 0.07 -0.14 -0.03 -0.05 -0.00 0.12 0.06 0.15 0.26 0.14 -0.19 0.15 -0.01 -0.16 0.17 0.01 0.02 -0.21 -0.18 -0.23 -0.15 -0.05 -0.23 -0.06 0.06 -0.19 0.08 0.02 -0.03 0.16 0.02 -0.07 -0.05 0.07 0.06 0.09 -0.07 0.05 0.06 -0.01 0.01 0.02 0.10 -0.07 -0.06 0.03 -0.04 -0.16 -0.02 -0.08 -0.05 -0.02 -0.02 -0.03 -0.06 0.09 -0.03 0.01 -0.01 -0.03 0.06 -0.03 0.16 0.00 0.08 0.22 -0.05 0.10 0.07 -0.21 0.07 0.07 -0.09 -0.15 0.00 -0.03 0.03 -0.17 -0.16 -0.04 -0.27 0.05 0.01 -0.09 -0.08 0.03 -0.09 -0.09 0.25 -0.03 0.02 0.09 -0.07 -0.05 -0.04 0.15 0.06 -0.03 -0.13 0.03 0.12 -0.05 0.20 -0.29 0.18 0.17 0.11 0.43 0.02 0.06 0.09 -0.09 0.12 -0.03 0.00 0.13 -0.10 0.01 0.05 -0.07 -0.04 -0.02 -0.09 -0.01 -0.19 0.05 0.08 -0.09 0.00 0.08 0.05 -0.02 -0.03 0.02 -0.03 0.00 -0.07 0.20 -0.03 0.02 0.03 -0.04 0.17 -0.02 0.00 0.05 -0.02 -0.02 0.13 -0.10 0.05 0.05 -0.11 -0.01 -0.17 0.09 0.25 -0.37 0.14 -0.05 0.11 -0.09 -0.09 0.03 -0.01 0.03 -0.03 -0.03 -0.00 0.03 -0.02 0.02 -0.07 0.14 -0.02 -0.12 0.50 0.05 0.01 0.17 -0.34 0.02 0.02 0.04 0.01 0.08 -0.10 -0.00 0.09 -0.02 0.02 0.05 -0.06 -0.02 0.01 0.05 0.01 0.04 -0.04 -0.02 0.01 -0.02 -0.03 0.11 0.02 0.03 -0.10 -0.07 -0.01 -0.12 0.05 0.01 -0.01 -0.00 0.11 -0.02 -0.07 -0.08 -0.02 0.11 0.01 0.41 -0.00 0.08 0.00 -0.40 -0.04 -0.01 0.15 -0.11 -0.08 0.12 -0.22 0.10 0.20 0.09 0.35 -0.08 -0.02 -0.16 0.08 -0.02 -0.04 -0.02 0.01 -0.05 0.01 0.06 -0.01 0.04 0.08 0.04 -0.03 0.13 0.05 -0.05 0.20 -0.05 -0.14 -0.23 -0.00 0.17 -0.05 0.13 0.04 -0.10 -0.08 0.15 0.13 -0.05 -0.09 0.00 -0.02 -0.01 -0.21 -0.02 0.05 -0.00 0.13 0.03 -0.00 -0.04 -0.00 0.10 0.04 0.11 0.23 0.00 0.06 -0.22 -0.08 -0.11 0.02 0.00 0.01 -0.02 0.04 0.01 0.10 0.05 -0.07 0.08 -0.06 -0.17 0.13 0.12 0.08 0.12 0.17 -0.05 -0.06 -0.08 -0.12 0.02 -0.13 0.07 0.22 0.09 0.05 -0.24 -0.10 -0.22 -0.05 -0.05 -0.10 -0.29 -0.11 -0.20 0.08 -0.01 -0.09 -0.08 0.02 0.00 0.02 0.00 0.02 -0.19 0.06 0.00 -0.06 0.19 -0.23 -0.18 -0.07 0.22 -0.09 -0.06 -0.06 -0.14 0.04 0.05 0.03 0.07 -0.06 0.07 0.07 0.06 -0.11 -0.09 0.11 0.12 -0.12 0.16 -0.04 -0.02 -0.10 0.02 0.04 0.02 0.11 -0.05 -0.06 0.05 0.08 -0.10 -0.00 -0.16 -0.07 -0.05 -0.05 0.05 -0.18 -0.00 0.16 0.04 0.07 0.07 -0.34 -0.18 0.03 -0.08 -0.12 0.14 -0.08 0.21 -0.10 0.03 0.05 0.06 -0.07 0.02 0.01 0.05 0.06 0.07 0.20 -0.11 -0.22 -0.11 0.18 -0.03 0.14 -0.06 -0.25 0.10 0.06 0.12 0.08 0.13 -0.08 0.12 0.27 -0.22 -0.05 -0.02 -0.02 -0.00 0.03 -0.10 -0.05 -0.10 0.28 0.03 -0.00 -0.06 -0.14 0.06 -0.06 0.06 0.00 -0.01 0.01 0.03 0.02 0.07 0.03 0.06 0.08 -0.04 -0.06 -0.00 -0.01 0.01 -0.14 -0.19 -0.05 -0.02 -0.01 0.16 0.01 0.04 -0.29 -0.00 0.06 -0.13 -0.20 0.10 0.19 -0.31 0.21 -0.23 -0.03 0.08 0.06 0.17 0.11 -0.08 0.38 0.16 0.05 -0.20 -0.01 -0.20 0.10 -0.07 -0.09 0.05 -0.02 -0.06 0.05 -0.03 -0.08 0.02 -0.00 -0.06 -0.03 -0.05 -0.01 -0.03 -0.04 0.05 0.01 0.21 0.20 0.08 -0.01 0.02 -0.02 -0.01 -0.05 -0.09 -0.13 0.07 -0.10 -0.05 -0.01 0.04 -0.04 -0.02 0.01 0.18 0.06 -0.11 -0.05 -0.06 0.15 -0.10 -0.09 0.03 0.05 -0.07 0.01 0.19 0.20 -0.12 0.22 0.17 0.10 0.02 -0.21 -0.14 -0.19 0.14 -0.17 -0.05 0.07 -0.06 0.02 -0.03 0.08 0.13 -0.03 -0.17 -0.11 -0.02 -0.18 -0.09 -0.05 -0.01 -0.06 0.02 0.16 -0.14 -0.11 0.16 -0.11 -0.10 0.12 -0.10 -0.10 0.13 0.06 -0.33 0.00 -0.15 0.05 0.05 -0.08 -0.06 -0.06 -0.07 -0.07 -0.04 -0.09 0.01 0.04 -0.02 -0.05 -0.10 0.04 0.11 -0.09 0.00 -0.04 -0.02 0.04 -0.08 0.15 0.08 0.07 0.12 0.04 0.05 -0.00 0.00 -0.01 0.04 0.02 -0.01 -0.07 -0.07 -0.07 -0.22 -0.05 -0.04 -0.07 -0.12 0.05 -0.20 -0.06 0.25 -0.25 -0.10 -0.30 0.18 -0.11 0.14 0.05 0.05 0.19 0.17 0.08 0.12 0.02 0.03 0.04 0.14 0.06 0.10 -0.07 0.07 0.09 0.13 -0.09 -0.02 0.03 -0.00 0.06 -0.07 0.06 -0.27 -0.07 0.00 -0.22 -0.17 -0.20 0.27 0.02 -0.06 0.03 0.09 -0.09 0.02 -0.00 -0.04 0.01 0.01 0.13 0.06 -0.06 0.03 -0.04 0.04 0.05 -0.00 -0.11 -0.01 -0.03 0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.05 -0.02 0.02 0.12 0.22 0.07 -0.04 -0.09 -0.28 0.28 0.09 -0.42 0.01 0.07 0.14 -0.25 -0.08 -0.31 0.12 -0.10 0.12 -0.05 0.09 -0.14 0.04 0.02 0.07 -0.08 -0.01 -0.01 -0.01 0.02 0.03 0.03 -0.07 -0.01 0.05 -0.09 -0.03 -0.09 0.03 0.07 0.09 -0.05 0.14 0.04 -0.10 0.28 0.15 0.11 -0.23 0.05 0.02 -0.07 0.10 0.00 -0.07 0.00 -0.01 -0.00 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.00 0.02 -0.01 -0.07 0.06 -0.01 -0.02 -0.01 0.01 0.03 -0.01 -0.02 -0.04 -0.02 0.06 -0.05 -0.21 -0.10 0.06 0.04 0.16 -0.14 -0.24 0.76 -0.02 -0.07 0.12 -0.09 -0.04 -0.14 0.08 -0.08 0.11 -0.06 0.09 -0.03 0.01 0.01 -0.10 0.13 0.05 0.00 -0.12 -0.04 -0.11 0.04 -0.06 -0.02 0.05 -0.06 -0.03 -0.04 0.00 0.01 0.04 -0.03 0.04 -0.01 -0.11 0.21 0.04 0.01 -0.04 -0.03 0.08 0.11 0.01 -0.03 -0.07 0.02 -0.07 0.03 0.13 0.16 -0.03 -0.00 -0.05 0.11 -0.08 -0.07 -0.10 0.03 -0.05 0.03 -0.02 -0.04 -0.00 -0.06 0.00 -0.02 0.03 0.02 -0.08 -0.18 0.12 0.11 -0.02 0.08 0.06 -0.13 -0.17 0.12 0.16 0.11 0.03 -0.40 -0.18 0.05 0.27 0.14 0.10 0.10 -0.23 -0.04 0.14 0.12 0.02 -0.03 0.08 -0.04 -0.24 0.00 -0.11 -0.22 0.22 0.22 0.15 -0.02 0.01 0.14 -0.04 0.04 -0.00 0.03 -0.07 0.03 0.07 -0.13 0.01 0.03 -0.06 0.05 -0.02 -0.09 -0.03 0.01 0.07 0.01 0.03 -0.02 0.10 0.02 0.06 -0.06 -0.10 0.14 -0.08 0.07 -0.13 -0.02 0.06 -0.04 -0.02 0.00 -0.03 0.04 -0.02 -0.09 -0.02 -0.01 0.09 0.18 -0.20 -0.12 0.00 -0.00 0.07 0.10 0.14 -0.19 0.25 0.20 -0.21 0.16 0.00 0.33 -0.35 -0.06 -0.00 -0.07 0.01 0.04 -0.04 -0.02 0.03 -0.12 -0.04 -0.02 0.04 0.02 0.06 -0.09 0.03 0.14 0.34 -0.23 -0.11 0.04 -0.02 0.08 -0.01 -0.00 -0.07 -0.06 -0.12 0.13 -0.04 -0.12 0.13 0.05 0.15 -0.01 -0.10 0.01 0.04 0.05 -0.05 -0.00 0.03 -0.01 0.02 -0.03 0.05 -0.03 0.02 0.02 -0.01 0.03 -0.04 -0.08 -0.01 -0.05 -0.02 0.00 0.02 0.01 0.00 -0.07 0.07 0.18 -0.29 -0.08 0.11 0.18 0.37 -0.15 -0.05 -0.27 -0.05 -0.15 0.22 -0.10 -0.02 -0.31 -0.02 -0.16 0.10 0.04 -0.12 -0.07 0.15 0.10 0.10 -0.18 0.03 -0.06 -0.18 0.03 -0.03 0.04 -0.06 -0.05 -0.05 -0.01 -0.00 -0.09 0.04 0.02 -0.13 -0.08 0.30 0.02 0.14 -0.10 -0.07 0.03 0.12 -0.02 -0.03 0.09 -0.03 0.03 -0.07 0.00 -0.00 -0.00 0.01 -0.01 0.06 -0.06 0.05 0.03 -0.02 0.10 -0.03 0.02 -0.09 0.01 0.01 -0.01 0.00 0.07 -0.01 -0.03 0.02 -0.00 -0.05 -0.14 0.27 0.14 0.10 -0.08 -0.22 -0.14 -0.07 0.24 0.04 0.03 0.01 0.42 0.13 -0.23 -0.41 -0.36 0.14 0.08 -0.22 -0.04 0.07 0.05 0.02 -0.02 0.03 -0.01 -0.06 0.01 -0.02 0.11 -0.12 -0.08 0.05 -0.09 -0.06 -0.07 0.02 0.00 -0.02 -0.01 0.04 0.03 0.07 -0.10 0.01 0.03 -0.04 0.02 -0.02 0.02 -0.05 0.06 -0.03 0.02 0.01 -0.01 0.01 -0.08 0.13 -0.03 -0.08 -0.10 0.09 0.04 -0.03 0.02 -0.04 0.01 -0.01 -0.01 -0.02 -0.04 0.10 -0.00 -0.01 -0.01 -0.02 -0.02 0.09 0.04 0.16 -0.05 -0.06 -0.13 -0.01 0.18 0.17 0.04 -0.05 -0.29 -0.07 0.30 0.11 0.32 -0.30 0.07 0.08 -0.08 0.03 0.03 0.04 -0.11 -0.00 -0.03 -0.03 0.02 0.01 -0.06 -0.10 0.09 0.15 -0.24 -0.07 -0.33 0.17 0.29 0.01 -0.03 0.13 0.04 0.04 0.02 0.05 0.09 -0.11 -0.04 0.07 0.02 0.04 -0.08 -0.02 -0.04 -0.02 -0.03 -0.11 0.06 0.05 0.01 -0.00 -0.03 -0.02 0.02 0.05 0.05 -0.01 -0.03 0.04 0.03 0.01 0.02 -0.05 -0.04 -0.02 -0.08 0.00 -0.05 -0.07 -0.01 -0.24 0.11 0.13 -0.04 -0.16 0.05 0.15 0.33 -0.35 0.19 0.08 0.15 0.03 0.09 -0.07 0.14 0.12 -0.18 -0.02 -0.02 0.02 0.03 -0.03 0.03 0.16 0.01 0.07 -0.05 0.09 0.06 0.13 -0.01 -0.01 0.18 -0.08 -0.03 -0.07 -0.12 0.45 0.09 0.18 -0.04 0.03 0.19 -0.11 0.08 -0.03 0.02 -0.10 0.04 -0.04 0.01 -0.03 -0.01 -0.04 0.01 0.02 0.01 0.01 -0.03 -0.01 -0.03 0.02 0.04 0.06 -0.01 0.05 -0.06 -0.01 -0.04 -0.05 0.01 -0.06 0.03 0.04 0.10 0.09 0.04 0.19 -0.05 -0.10 -0.13 0.01 0.04 -0.06 0.10 -0.09 0.11 0.05 0.02 -0.04 0.02 -0.06 0.15 0.14 -0.16 0.33 0.19 0.19 -0.23 0.06 -0.09 -0.19 0.07 0.00 -0.09 0.20 0.05 -0.03 0.18 0.07 0.29 -0.12 -0.16 0.16 0.01 -0.13 -0.02 -0.21 0.36 0.11 -0.03 -0.13 0.01 -0.01 0.04 -0.08 -0.01 -0.04 -0.05 0.00 -0.02 0.05 -0.05 -0.06 0.01 -0.01 0.06 0.01 0.00 -0.03 0.11 0.05 -0.05 -0.01 0.09 0.05 -0.02 0.02 -0.00 -0.06 -0.03 0.05 0.00 0.11 0.06 -0.11 -0.01 -0.10 -0.11 -0.04 -0.07 -0.00 -0.26 0.22 -0.20 -0.10 -0.08 -0.10 -0.11 0.07 0.31 0.06 -0.31 -0.28 -0.16 -0.19 0.34 -0.03 0.13 0.23 -0.06 -0.01 -0.06 0.03 0.06 0.03 -0.02 -0.01 -0.02 0.02 0.03 0.09 -0.06 0.15 0.03 -0.08 0.28 0.09 0.06 -0.14 0.07 0.01 -0.00 -0.07 -0.04 -0.01 -0.05 -0.02 -0.05 -0.06 0.02 -0.09 -0.05 -0.04 0.07 -0.05 0.01 0.03 0.00 -0.01 0.03 0.05 -0.01 0.05 0.08 0.05 -0.00 -0.02 0.02 -0.01 0.03 -0.03 -0.01 0.10 0.01 0.05 -0.06 -0.03 -0.15 -0.08 0.04 -0.13 0.25 0.05 0.15 0.52 0.14 0.20 0.09 -0.11 -0.06 0.16 0.09 0.01 0.14 0.10 0.03 -0.08 -0.01 -0.06 0.21 -0.31 -0.15 -0.02 -0.20 -0.09 -0.31 0.13 0.12 0.04 0.02 -0.06 -0.00 -0.05 0.08 0.04 0.01 -0.08 0.02 -0.00 0.00 -0.00 -0.01 -0.03 -0.05 -0.02 0.03 -0.08 0.03 -0.07 0.15 0.00 0.07 -0.03 0.00 0.02 -0.01 0.02 0.01 0.06 -0.01 -0.04 0.05 0.03 -0.02 0.01 -0.01 -0.01 0.08 0.00 0.00 -0.04 0.00 -0.01 -0.01 -0.01 0.10 -0.25 0.01 -0.00 -0.49 -0.19 0.06 -0.50 -0.10 -0.15 0.01 -0.05 0.00 0.13 0.06 0.19 -0.25 -0.07 -0.06 0.10 0.10 0.16 0.08 -0.16 -0.03 0.03 -0.14 -0.06 -0.20 0.08 0.11 -0.03 -0.01 0.05 0.01 0.04 -0.04 -0.01 0.03 0.00 0.02 -0.00 -0.01 -0.02 -0.01 0.04 0.04 0.03 -0.12 -0.06 -0.02 0.02 0.07 0.03 0.00 -0.01 0.01 0.04 -0.02 -0.01 0.05 -0.03 -0.04 0.12 -0.01 -0.01 -0.04 0.00 0.00 -0.03 0.02 -0.02 -0.01 0.12 -0.01 0.01 0.04 0.05 -0.19 0.10 0.05 -0.09 -0.23 -0.07 -0.06 -0.30 -0.10 -0.08 -0.06 0.06 0.08 0.12 0.09 -0.22 0.45 0.26 0.07 -0.37 -0.16 -0.35 -0.09 0.06 0.11 0.15 -0.07 -0.03 0.06 -0.02 0.06 -0.00 -0.00 0.02 0.02 0.04 -0.04 0.01 0.05 -0.05 0.08 0.04 -0.00 -0.06 -0.04 -0.03 -0.03 -0.06 0.01 -0.01 -0.01 0.05 0.02 0.05 -0.02 -0.01 0.01 0.03 -0.06 -0.05 0.04 0.01 0.09 -0.01 0.01 -0.03 -0.01 0.01 0.06 -0.02 0.09 -0.08 -0.02 0.38 0.01 0.09 -0.22 -0.23 -0.11 0.40 0.12 -0.20 -0.21 -0.04 -0.17 0.03 -0.03 0.03 -0.09 -0.16 0.10 -0.24 -0.14 -0.04 0.05 -0.14 0.07 0.34 0.01 0.13 -0.01 0.03 0.01 0.02 0.03 0.01 0.08 -0.04 -0.03 0.05 0.07 -0.25 -0.04 -0.09 0.03 0.01 -0.08 0.01 0.02 -0.01 -0.05 -0.01 0.02 0.04 0.00 -0.01 0.04 0.01 -0.04 -0.08 -0.03 0.04 0.02 -0.00 0.01 0.07 0.00 0.00 0.14 0.01 0.00 -0.04 -0.03 -0.01 -0.10 -0.03 -0.02 -0.09 -0.15 -0.07 -0.06 0.20 -0.02 0.07 0.04 0.08 -0.01 -0.05 -0.24 0.19 0.16 0.06 -0.12 0.08 -0.08 0.14 -0.02 0.26 0.11 -0.01 -0.02 0.08 -0.17 -0.08 -0.03 0.08 0.06 0.10 -0.24 0.13 0.26 0.37 -0.18 -0.09 0.11 -0.03 0.15 0.03 -0.05 0.20 0.08 0.12 -0.00 0.08 0.21 -0.25 0.03 -0.05 0.09 -0.02 0.04 -0.07 -0.02 -0.02 0.00 -0.01 -0.04 -0.05 -0.02 0.00 0.02 0.00 0.01 0.05 -0.06 0.08 -0.08 0.01 -0.00 0.01 -0.01 -0.01 -0.04 0.08 -0.05 0.04 0.50 0.18 0.13 0.04 -0.09 -0.22 -0.08 -0.01 0.07 0.12 -0.06 -0.06 -0.05 -0.02 -0.05 0.25 0.03 0.13 -0.21 0.24 0.08 0.04 0.02 0.01 0.03 0.02 0.01 -0.01 -0.00 -0.01 -0.10 0.06 0.10 0.16 -0.06 -0.03 0.09 -0.04 0.05 -0.19 -0.02 0.12 -0.01 0.15 -0.31 -0.16 -0.05 0.31 -0.04 -0.02 -0.02 0.01 0.06 0.03 -0.00 0.02 0.03 -0.01 -0.12 -0.01 0.00 0.06 0.04 -0.05 0.02 -0.03 0.04 0.01 0.01 0.01 -0.03 -0.01 0.03 -0.01 0.02 -0.02 -0.01 -0.00 -0.16 0.03 -0.01 -0.14 -0.01 -0.02 0.18 0.25 0.09 0.48 0.08 -0.38 -0.37 -0.10 -0.26 0.26 -0.06 0.23 0.09 -0.02 -0.06 0.10 0.05 0.07 -0.11 0.01 -0.04 -0.07 0.03 0.01 0.09 -0.06 -0.10 -0.08 0.04 0.01 0.00 -0.01 -0.07 0.02 -0.02 0.07 0.02 0.01 0.05 0.02 0.04 -0.06 0.07 -0.03 -0.00 -0.04 -0.01 -0.02 -0.03 -0.01 -0.03 0.05 0.02 0.03 0.01 -0.05 -0.01 -0.08 0.06 -0.13 -0.04 0.08 0.13 0.01 0.02 0.01 0.03 -0.06 0.09 -0.00 -0.08 -0.07 0.13 -0.00 -0.00 0.18 -0.04 -0.01 -0.01 0.02 0.00 0.01 -0.10 0.19 -0.05 -0.04 0.10 -0.01 0.10 -0.12 -0.09 0.20 0.17 -0.00 0.00 -0.01 0.07 0.00 0.02 0.05 -0.00 0.01 0.21 -0.02 -0.26 -0.34 0.24 0.11 0.08 -0.08 -0.27 -0.08 -0.10 0.34 0.11 0.23 -0.15 0.01 0.25 -0.15 -0.02 -0.05 -0.00 0.01 0.01 0.01 0.19 -0.00 0.06 -0.06 0.00 -0.02 0.00 0.02 0.06 -0.01 -0.00 -0.04 0.05 0.02 0.00 -0.09 0.00 -0.03 0.01 0.01 0.02 -0.01 -0.02 -0.00 -0.01 0.05 0.01 0.26 -0.09 -0.08 -0.31 -0.36 -0.20 -0.37 0.29 -0.33 -0.07 -0.02 -0.03 0.08 -0.02 0.12 -0.03 0.29 0.04 -0.24 -0.13 -0.13 -0.07 -0.06 -0.01 -0.04 -0.04 -0.06 0.05 -0.04 -0.05 -0.06 -0.01 -0.00 -0.07 0.03 -0.01 0.01 -0.03 0.07 0.02 0.03 0.02 0.01 0.04 -0.03 0.01 -0.03 -0.02 -0.03 0.04 -0.04 0.09 0.00 0.03 0.02 0.00 0.02 0.01 0.01 -0.04 -0.06 0.00 0.06 0.00 0.01 0.07 -0.04 0.00 -0.00 0.02 -0.01 -0.02 -0.03 0.01 -0.03 0.58 -0.07 -0.03 -0.58 0.05 -0.03 -0.07 -0.01 0.03 -0.03 0.02 0.02 0.01 0.02 -0.04 0.05 0.07 -0.07 0.06 -0.43 0.09 -0.09 -0.05 -0.06 -0.02 -0.01 -0.00 -0.04 -0.02 -0.04 0.01 -0.04 -0.00 0.05 -0.04 -0.02 0.03 -0.01 0.01 0.05 -0.01 0.01 0.02 -0.01 0.08 0.06 0.06 -0.15 -0.01 0.05 0.02 0.01 -0.01 -0.04 -0.09 0.00 -0.02 0.01 -0.02 0.02 -0.03 0.05 0.05 0.12 -0.14 -0.13 0.03 -0.04 0.06 0.03 0.00 0.01 -0.04 0.06 0.03 -0.04 0.00 -0.02 0.50 -0.08 0.00 -0.20 0.08 0.04 0.02 0.01 0.05 -0.03 0.19 -0.26 0.13 0.06 -0.12 -0.13 -0.20 0.17 -0.21 0.35 0.28 0.08 0.05 0.04 0.04 0.02 0.01 0.03 0.01 0.02 -0.06 0.03 0.07 -0.10 0.02 0.01 -0.19 0.09 0.09 0.09 -0.01 -0.03 0.01 0.01 0.05 0.08 0.06 -0.16 -0.11 0.01 0.01 0.08 0.04 0.02 -0.02 0.03 0.01 -0.05 0.03 -0.03 0.01 -0.04 -0.01 -0.08 0.06 0.01 0.10 -0.10 -0.04 0.01 -0.03 -0.01 0.03 -0.01 0.01 -0.04 0.03 0.01 0.34 -0.04 0.00 0.15 -0.03 -0.03 -0.19 -0.26 -0.12 0.43 -0.30 0.31 -0.00 -0.02 0.08 -0.01 0.06 -0.08 -0.19 0.32 0.24 0.06 0.03 0.04 -0.03 0.03 -0.02 -0.05 0.02 0.01 0.07 -0.05 -0.07 -0.01 -0.03 -0.01 0.02 -0.01 -0.05 0.12 0.01 -0.06 -0.03 -0.08 0.12 0.08 -0.07 -0.11 -0.08 0.04 0.00 0.01 -0.02 -0.01 -0.02 -0.03 -0.03 -0.00 -0.05 -0.04 -0.01 -0.04 0.05 0.11 0.19 -0.00 0.03 -0.05 -0.02 0.01 0.00 0.01 -0.04 -0.05 0.00 -0.04 0.00 -0.01 0.25 -0.06 -0.01 0.26 -0.01 0.00 0.17 0.17 0.13 -0.47 0.09 -0.15 -0.20 -0.07 0.18 0.17 -0.02 0.13 -0.10 -0.38 0.23 0.03 0.02 0.00 0.04 0.00 0.01 0.03 -0.01 0.00 -0.03 0.17 -0.05 0.10 0.16 0.07 0.15 -0.08 -0.06 0.08 -0.02 0.02 0.00 -0.02 0.09 0.04 -0.01 -0.10 0.08 -0.04 0.01 0.03 0.01 0.02 -0.05 0.07 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.01 0.07 -0.00 -0.01 0.01 0.07 -0.05 0.02 -0.02 -0.00 -0.03 0.00 0.00 -0.03 -0.02 -0.03 -0.33 0.08 0.02 -0.21 -0.00 -0.03 -0.32 -0.37 -0.24 0.11 -0.04 -0.00 -0.02 0.00 0.09 0.00 -0.09 0.07 -0.26 -0.39 0.42 0.05 0.01 0.02 -0.05 0.06 -0.04 -0.07 0.05 0.03 -0.02 0.02 0.00 0.03 0.04 0.02 0.04 -0.01 0.02 0.01 -0.05 0.17 0.06 0.01 0.13 -0.04 0.05 -0.03 -0.03 0.01 0.03 -0.04 -0.02 -0.01 0.04 -0.07 -0.01 0.02 0.03 0.03 0.00 0.01 -0.03 -0.08 -0.09 0.04 0.09 0.08 -0.10 -0.02 0.03 0.00 0.02 0.04 -0.01 -0.05 -0.02 -0.01 -0.09 0.12 0.05 0.31 -0.02 0.05 0.28 0.34 0.20 -0.00 0.07 -0.01 0.08 0.02 -0.15 -0.03 0.10 -0.11 -0.34 -0.17 0.52 -0.04 -0.00 -0.01 0.05 -0.08 0.04 0.08 -0.05 -0.04 0.03 -0.13 0.03 -0.01 -0.14 -0.06 -0.02 0.03 0.02 0.07 -0.05 0.11 0.05 0.03 0.15 0.01 0.06 -0.09 -0.13 -0.02 -0.03 0.05 -0.00 0.02 -0.03 0.03 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.03 -0.08 -0.01 -0.01 0.12 0.04 -0.01 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.05 0.03 0.28 -0.06 -0.04 0.50 -0.10 -0.06 -0.06 -0.13 -0.07 0.18 -0.02 0.01 0.07 0.04 0.04 -0.04 -0.08 0.03 0.29 -0.48 -0.21 0.08 0.06 0.05 0.06 0.05 -0.02 0.02 0.03 0.08 -0.01 -0.06 0.04 -0.02 0.00 -0.00 -0.01 0.02 0.07 -0.01 -0.01 -0.14 0.04 0.19 -0.11 0.04 0.20 -0.08 -0.04 -0.00 -0.01 0.02 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.03 -0.03 -0.02 -0.02 -0.03 0.03 0.02 0.03 0.05 -0.11 0.13 0.02 -0.01 0.10 -0.01 0.05 -0.02 -0.04 -0.02 -0.03 0.03 -0.03 0.03 0.00 -0.08 -0.03 0.04 -0.03 0.09 -0.02 -0.10 0.11 0.11 0.07 0.17 0.06 -0.01 0.12 0.01 0.13 0.06 -0.12 -0.09 0.10 -0.16 -0.02 0.16 -0.02 -0.11 -0.08 -0.01 0.48 0.09 -0.28 0.37 -0.29 -0.25 0.34 0.03 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.02 -0.01 -0.12 -0.04 -0.05 0.00 -0.01 -0.00 -0.01 -0.01 0.04 -0.09 0.01 0.00 -0.11 0.01 -0.00 -0.03 -0.02 -0.02 -0.07 0.02 -0.02 -0.02 -0.01 -0.03 0.02 0.03 -0.02 -0.05 0.07 0.04 0.31 0.33 0.20 0.52 0.15 -0.02 0.39 0.01 0.39 0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.16 -0.04 0.08 -0.13 0.11 0.07 -0.12 0.01 0.00 0.00 0.01 -0.01 0.00 -0.03 0.02 -0.01 0.04 -0.02 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 0.01 -0.09 0.06 0.05 -0.00 -0.01 0.04 -0.01 -0.00 0.00 -0.02 0.00 0.00 -0.04 -0.06 -0.03 -0.13 0.05 -0.05 -0.00 -0.02 -0.14 -0.02 0.10 -0.07 -0.01 0.05 -0.00 -0.03 -0.04 -0.02 -0.07 0.01 -0.01 -0.06 0.02 -0.03 0.20 -0.33 -0.34 0.38 -0.33 -0.02 0.46 -0.07 -0.21 -0.02 0.02 -0.16 -0.06 0.06 -0.17 0.13 0.09 -0.14 -0.03 -0.01 -0.00 0.05 -0.02 0.01 -0.13 0.08 -0.03 0.18 -0.09 0.06 0.01 0.03 -0.03 -0.12 0.01 0.08 0.03 -0.01 -0.01 0.04 -0.02 0.01 0.07 -0.03 -0.05 -0.00 0.01 0.01 0.05 0.02 0.00 0.12 -0.02 0.02 -0.16 -0.26 -0.12 -0.51 0.20 -0.19 -0.06 -0.04 -0.35 0.06 0.26 -0.17 0.02 0.09 -0.02 0.02 -0.03 -0.04 -0.07 0.14 -0.05 -0.08 0.08 0.06 -0.11 0.11 0.21 -0.17 0.04 -0.05 -0.19 0.03 0.06 0.03 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.01 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.15 -0.02 0.00 -0.01 -0.16 0.00 -0.00 0.01 -0.04 0.02 -0.02 -0.04 0.02 0.10 0.02 -0.09 0.05 -0.00 0.02 0.00 -0.22 -0.20 0.62 0.39 -0.24 0.10 -0.41 0.23 -0.00 0.00 -0.06 0.01 -0.01 0.01 -0.00 0.04 -0.01 0.04 0.04 -0.00 -0.00 0.02 0.03 0.02 -0.02 -0.01 0.02 -0.01 -0.04 -0.04 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.04 0.00 -0.01 -0.01 -0.03 0.06 0.05 0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.02 0.01 0.01 -0.00 0.01 0.07 0.47 0.06 -0.01 0.04 0.49 -0.02 -0.02 -0.02 0.06 -0.03 0.01 0.11 -0.07 -0.33 -0.06 0.30 -0.18 0.01 -0.07 -0.01 -0.06 -0.05 0.22 0.12 -0.13 0.05 -0.13 0.05 -0.04 -0.01 0.22 -0.04 0.05 -0.03 0.01 -0.16 0.02 -0.12 -0.14 0.02 -0.00 -0.07 -0.11 -0.05 0.06 0.06 -0.07 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.02 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.02 0.00 -0.04 -0.01 -0.01 -0.01 0.01 0.13 0.02 -0.04 0.01 0.13 -0.03 -0.03 -0.02 -0.01 0.00 -0.00 0.04 -0.03 -0.14 -0.02 0.13 -0.08 0.00 0.04 -0.03 0.08 0.09 0.06 -0.02 -0.19 0.06 0.05 -0.12 -0.15 0.03 -0.40 0.03 -0.05 0.38 0.08 0.28 -0.05 0.50 0.21 -0.03 -0.10 0.15 0.21 0.10 -0.12 -0.01 0.13 0.00 0.00 -0.00 -0.02 -0.02 -0.02 0.02 -0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.03 -0.04 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.06 0.01 0.01 0.01 0.07 0.07 0.07 0.05 0.06 -0.02 0.02 0.04 -0.02 -0.08 -0.02 0.07 -0.05 -0.01 0.01 0.00 -0.26 -0.27 -0.17 0.06 0.56 -0.18 -0.17 0.36 0.44 0.02 -0.10 -0.02 0.01 0.14 0.04 0.06 -0.01 0.16 0.10 -0.02 -0.01 0.05 0.08 0.02 -0.03 -0.04 0.04 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.02 -0.03 0.00 -0.01 -0.05 -0.22 -0.03 0.00 -0.02 -0.22 -0.00 -0.00 -0.01 0.04 -0.01 0.00 0.07 -0.03 -0.22 -0.04 0.19 -0.12 0.02 -0.02 -0.03 0.02 0.02 0.01 -0.01 -0.05 0.02 0.01 -0.03 -0.04 0.11 0.32 -0.29 0.33 0.05 0.07 -0.29 0.04 -0.03 0.42 -0.07 0.06 0.11 0.30 -0.04 -0.04 -0.28 0.08 0.01 0.02 0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 -0.02 0.04 0.02 0.02 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.04 -0.02 -0.03 -0.24 -0.03 -0.04 -0.01 -0.24 0.01 0.01 0.01 0.02 -0.02 0.00 0.06 -0.05 -0.21 -0.03 0.21 -0.12 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.03 0.07 0.04 -0.04 -0.08 -0.02 -0.03 0.00 -0.11 -0.25 0.05 -0.33 0.22 0.03 0.37 -0.26 0.52 0.19 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.04 -0.00 0.01 0.01 0.03 -0.06 -0.05 -0.03 0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.02 -0.02 0.01 0.01 -0.02 -0.01 0.05 0.26 0.04 0.01 0.02 0.26 0.00 -0.00 0.00 -0.05 0.03 -0.00 -0.10 0.06 0.29 0.04 -0.29 0.16 -0.01 0.09 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 0.15 0.18 -0.35 0.39 0.16 0.10 -0.21 0.03 0.12 -0.08 0.02 -0.19 0.13 0.05 0.20 -0.15 0.24 0.12 0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.02 -0.03 -0.02 -0.00 0.03 0.21 0.03 -0.04 0.02 0.22 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 -0.05 0.02 0.13 0.02 -0.11 0.07 0.01 0.02 -0.05 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.10 0.01 0.21 -0.22 -0.36 -0.12 0.07 -0.01 -0.36 0.41 -0.06 -0.16 0.23 0.42 0.09 -0.15 -0.06 0.17 0.02 0.04 0.02 -0.14 -0.43 -0.19 0.10 0.48 0.20 -0.01 -0.05 -0.03 0.00 -0.01 0.01 0.01 0.02 0.00 0.00 -0.01 -0.01 -0.03 -0.04 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.11 0.08 0.02 0.21 0.03 0.15 0.38 0.07 0.15 0.21 -0.15 0.06 -0.01 -0.02 -0.03 -0.01 0.03 -0.01 -0.04 0.04 0.04 0.13 0.12 0.08 -0.16 -0.15 0.01 -0.09 -0.09 -0.17 -0.01 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.02 0.00 0.02 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 -0.00 -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 0.01 0.00 0.00 0.00 0.11 -0.57 -0.02 -0.17 0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.61 0.11 0.47 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.02 0.01 0.01 -0.05 -0.01 -0.04 -0.00 -0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.14 0.75 0.02 0.20 -0.04 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.02 0.47 0.08 0.36 0.03 -0.03 -0.00 -0.01 0.02 0.07 0.02 0.05 -0.03 -0.05 -0.01 -0.03 -0.00 -0.01 0.02 0.01 0.03 -0.00 -0.01 -0.05 -0.01 -0.03 0.02 0.01 -0.02 -0.00 -0.02 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.07 -0.00 -0.01 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 -0.05 -0.01 -0.04 0.25 -0.29 -0.01 -0.09 0.19 0.63 0.24 0.48 -0.33 0.02 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.05 0.01 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.63 0.10 0.35 0.04 0.13 -0.44 -0.11 -0.47 0.01 -0.01 -0.05 -0.01 -0.06 0.03 0.03 0.03 0.00 0.02 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.04 -0.00 -0.01 0.08 -0.02 -0.17 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.07 0.01 0.04 -0.00 0.00 -0.00 -0.01 -0.04 -0.00 0.09 0.63 0.08 0.38 -0.19 -0.17 -0.44 -0.09 -0.36 -0.01 -0.08 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.24 0.12 0.93 -0.11 0.04 -0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.01 0.08 0.01 0.10 -0.05 -0.04 -0.11 -0.02 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.02 -0.08 0.22 0.65 -0.27 -0.56 0.35 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.04 -0.06 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 -0.03 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.57 0.09 0.31 -0.07 -0.15 0.47 0.11 0.54 -0.03 -0.01 -0.08 -0.01 0.05 -0.02 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.06 0.04 0.01 -0.05 -0.02 0.00 0.00 -0.01 0.00 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.02 0.01 -0.04 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 0.06 0.15 -0.55 0.13 0.57 -0.00 0.07 0.42 0.04 -0.27 0.12 0.12 0.13 0.01 0.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 -0.03 -0.03 -0.06 -0.04 0.00 0.00 -0.00 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.05 0.01 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 0.01 -0.05 -0.11 0.38 -0.07 -0.30 0.00 0.08 0.60 0.06 -0.13 0.05 0.05 0.44 0.07 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 0.04 -0.08 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.03 0.00 -0.01 -0.04 -0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.61 0.69 0.01 -0.03 0.06 0.25 0.12 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.08 0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.02 -0.01 -0.01 0.03 0.06 -0.22 0.03 0.12 -0.00 -0.03 -0.09 -0.01 0.66 -0.32 -0.32 0.38 0.08 0.34 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 -0.04 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.00 0.00 0.00 0.01 -0.01 0.00 -0.04 -0.26 -0.20 -0.21 0.71 -0.13 0.20 -0.30 -0.43 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.04 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.06 -0.05 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.05 0.05 -0.00 0.11 0.74 0.56 -0.06 0.22 -0.04 0.09 -0.13 -0.19 -0.00 -0.00 -0.00 -0.02 0.03 0.00 -0.00 0.01 0.03 0.01 0.02 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 0.06 -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 -0.06 0.06 -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 -0.01 -0.06 0.01 0.73 -0.67 0.02 0.01 0.06 0.04 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.08 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.05 0.04 -0.16 0.57 -0.12 -0.27 0.40 0.62 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 298.150 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 136.12520 998.73136 1455.70411 1872.11167 0.99998 0.00624 -0.00188 -0.00623 0.99996 0.00641 0.00192 -0.0064 0.99998 asymmetric 1 0.08672 0.05950 0.04627 1.80703 1.23977 0.96401 616724.4 146.39 201.33 274.29 294.43 312.15 383.19 402.21 435.87 520.12 550.24 567.78 607.33 711.05 746.87 838.57 920.73 1059.76 1147.19 1175.92 1200.81 1258.81 1288.75 1347.02 1365.19 1407.11 1430.02 1477.63 1509.29 1525.51 1540.79 1549.54 1569.05 1586.80 1624.83 1646.31 1696.11 1776.03 1797.69 1849.53 1894.76 1942.53 1959.19 1985.10 2023.23 2031.84 2038.48 2052.68 2126.64 2128.44 2143.98 2147.23 2150.44 2159.14 2166.05 2180.77 2486.07 4311.24 4332.76 4334.26 4350.05 4370.31 4386.71 4399.55 4440.66 4459.45 4465.37 4473.31 4484.88 4503.26 4513.67 4536.38 4629.10 0.234898 0.245151 0.246095 0.200551 -390.462766 -390.452513 -390.451569 -390.497113 153.834 41.182 95.855 0.000 0.000 0.000 0.889 2.981 40.637 0.889 2.981 29.388 152.057 35.220 25.829 1 0.604 1.948 3.421 2 0.615 1.913 2.805 3 0.634 1.853 2.222 4 0.640 1.833 2.091 5 0.646 1.815 1.984 6 0.672 1.735 1.620 7 0.680 1.711 1.536 8 0.694 1.668 1.401 9 0.736 1.552 1.116 10 0.752 1.508 1.030 11 0.762 1.482 0.983 12 0.784 1.422 0.885 13 0.850 1.263 0.673 14 0.874 1.208 0.612 15 0.940 1.068 0.480 0.566179e-92 -92.247046 -212.406673 0.628637e+16 15.798400 36.377160 0.170516e+03 2.231766 5.138830 0.100000e+01 0.000000 0.000000 0.624254e+08 7.795362 17.949484 0.590571e+06 5.771272 13.288846 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1877 -0.2529 0.0007 0.3150 -62.7391 -61.5371 -63.3112 -0.0489 0.6538 0.9565 -0.2100 0.9920 -0.7821 -0.0489 0.6538 0.9565 -1.2852 -1.1269 0.7815 -0.7146 1.4154 -1.3992 0.1301 -1.2711 0.9643 -0.3472 -1030.4517 -643.9978 -320.7698 -3.2251 3.1297 -2.5966 0.6080 1.1023 3.4909 -282.7864 -231.5448 -168.8889 -0.2344 2.7613 1.1944 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -390.6976638 4.608E-9 5.838E-6 0.2348979 0.2451507 C01 [X(C10H16)] 0.1177812 0.0072049 -0.0378326 0.0554396 0.0237917 0.0483743 0.0689315 0.1601236 0.016346 0.0398398 0.0057598 0.0708919 -0.0768092 -0.0203985 -0.0381878 -0.0295166 -0.230936 -0.0507724 -0.0355791 0.008408 0.0297883 0.2818915 0.0495402 -0.1203718 0.0889513 -0.1011987 0.02202 -0.0856591 0.006415 0.2519793 0.008277 -0.0119966 0.1241391 -0.0752369 0.095859 0.0176216 0.2880181 0.0453337 -0.2245536 -0.0313093 -0.0313956 -0.0004093 -0.0663043 -0.1321257 0.0297593 -0.0972846 0.0013541 0.0619511 0.079716 -0.0076709 -0.0348927 0.0748921 0.0662844 -0.1243492 -0.1142307 -0.0651531 0.079615 0.0582311 0.0609913 0.019222 0.0465894 0.1415737 0.020101 0.0420767 -0.0025983 0.1506068 0.0565748 -0.0025245 0.0012081 -0.0231831 0.1407417 0.0017619 0.0115748 0.005115 0.0414129 0.0510542 -0.0148072 -0.0466797 -0.0298584 0.1061092 0.0073328 -0.0148417 -0.0104065 0.1132865 0.0809931 -0.0233125 0.0011643 -0.0122832 -0.0139075 0.0197232 -0.0072879 -0.0269445 0.0703233 0.060114 0.0143792 0.0318566 0.0452429 -0.1438911 0.0624223 -0.0491571 0.0273667 -0.0763726 -0.1222205 -0.0555456 -0.0612622 -0.1008227 0.0210812 -0.0610769 -0.0570586 -0.0274465 -0.0263978 -0.0878303 0.0073079 0.0857456 -0.0008481 0.1013893 -0.0073481 0.0957812 -0.0239662 -0.0527736 -0.0802088 0.021835 -0.0654763 0.0325836 0.0305244 0.0491329 -0.0447127 0.0315641 -0.051283 -0.0969066 -0.094543 0.0189087 -0.055599 -0.0049563 0.0178315 0.0477228 0.0171921 0.0456372 -0.0223516 0.0897138 -0.0174117 0.0350658 -0.0370374 0.0138754 0.0141175 0.0145927 0.0474649 0.0135769 -0.0204031 0.021028 -0.0128396 -0.0376304 0.0230421 0.0058357 0.0166625 -0.2099856 -0.1104923 0.0008597 0.1193956 -0.0044613 0.0623059 0.0039801 0.0337132 -0.0026236 -0.0227619 0.0084109 0.0819862 -0.0505038 0.0851519 -0.0576237 0.0823123 -0.0421479 0.0206368 -0.0495966 0.019935 -0.0826682 -0.0469878 -0.0803206 -0.0661423 -0.084389 -0.0479271 -0.0313892 -0.0471739 0.0146133 0.0322319 0.028593 0.0245321 0.0324359 0.0124397 0.0802769 -0.0137421 -0.1698126 0.0490944 0.0058783 0.0359139 0.0365659 -0.1546796 -0.0029564 0.0226297 0.0361284 0.0260983 -0.096929 -0.0319055 -0.0352884 -0.0820035 0.0169592 -0.0405718 -0.0889519 -0.0369951 0.0128755 -0.1142155 -0.0882051 -0.0892968 -0.0332797 0.0022778 -0.0225224 -0.0694034 -0.0316028 0.0176533 -0.0416595 0.1022491 0.0821711 0.0721692 -0.0345954 -0.0445006 0.0683474 -0.0422919 0.0091604 0.0430108 -0.0053879 -0.0109521 -0.0041187 0.0370589 0.0387845 0.0043077 0.078631 -0.0980335 108.9703585|1.8277269|88.4693443|0.1924936|6.2069998|108.9106478 0.51583530 0.04641265 0.53104239 0.04818530 -0.01584715 0.47219926 -0.08937227 0.00175288 0.00076448 0.80167142 -0.00162915 -0.06880204 0.00186700 0.00202770 0.13903034 -0.00333823 -0.00225274 -0.20158666 0.07965124 0.00480701 0.60459136 0.00520731 -0.00179759 -0.01183476 -0.40170551 -0.00264394 -0.17996141 0.72727214 0.00090962 0.00240541 -0.00026844 -0.00420474 -0.05639324 -0.00402911 0.00812343 0.18163447 -0.02903511 0.00076690 -0.02332631 -0.18753698 -0.00353281 -0.22047857 0.14030428 0.00005193 0.61983328 0.00015905 0.00134439 0.00181744 -0.04097333 -0.00028170 0.01002638 -0.19385789 0.00012490 0.05181556 0.59746163 0.00094597 -0.00515862 0.00134691 -0.00348125 0.00475419 0.00030462 0.00433249 -0.06380464 0.00133179 -0.05927067 0.25434079 0.00092751 -0.00192476 -0.00230252 -0.00187317 -0.00007699 0.01495500 0.03589683 0.00287590 -0.10852053 0.04786145 -0.09495140 0.55379336 -0.00069403 -0.00226401 0.00024379 -0.00267224 -0.00080811 0.00319498 -0.00901872 -0.02630824 0.00735171 -0.06743487 -0.00771757 0.01887951 0.66223355 -0.00093687 0.00135467 -0.00048802 0.00040282 0.00133159 0.00081876 -0.00385025 -0.00032147 -0.00053094 -0.01028031 -0.10293839 0.11607633 -0.01665271 0.58474695 0.00016082 0.00206943 0.00119254 -0.00635195 -0.00058396 0.00042113 0.01515379 0.01172166 -0.01319658 0.00371062 0.06046072 -0.09303026 0.01084515 -0.07243374 0.22640609 -0.03118143 -0.00291389 -0.00628780 0.00080996 -0.00226901 -0.00229588 0.00442818 0.01840483 0.02197903 -0.06998245 0.00793694 -0.00213763 -0.07377244 -0.00976374 -0.00660333 0.51161816 0.01110791 0.00575252 0.00854212 0.00143197 0.00138307 -0.00081927 -0.00393968 -0.00089761 0.00551575 0.01222064 -0.03127088 -0.06615396 -0.01853289 -0.19100197 -0.02877569 -0.02190758 0.44647472 0.00767264 0.00771120 0.00984808 -0.00550367 0.00193160 -0.00153643 0.01397187 -0.00361831 -0.01728700 -0.00197390 -0.00984152 -0.17019902 -0.01659097 -0.07835151 -0.03516177 0.01418843 0.14244472 0.42750304 -0.12581494 0.02863230 0.01903749 0.00017266 -0.00142976 0.01333246 -0.00027266 -0.00155892 -0.00232879 0.00361687 -0.00361973 -0.00441597 -0.00211356 -0.00479330 -0.00388509 -0.14628750 -0.01543224 -0.03307723 0.44593716 0.03186307 -0.09340537 -0.01503974 -0.00225066 0.00070802 -0.00294057 0.00069076 0.00089434 -0.00087962 0.00582313 -0.00244913 0.00242114 -0.02720735 -0.00981635 -0.01462898 -0.01893579 -0.08122621 -0.01573547 0.00056213 0.45585015 0.02487728 -0.01905560 -0.08997878 0.02919168 -0.01407721 -0.01850663 0.00004537 0.00244669 0.00329191 -0.02725280 -0.01066845 -0.02068951 0.00672500 0.00032062 -0.00249978 -0.03692774 -0.01339839 -0.09299200 -0.00420146 -0.02809887 0.57289885 -0.00368380 -0.00003080 -0.00036736 0.00061160 -0.00081252 -0.03061863 -0.08473364 -0.00021167 0.00392359 0.00032434 0.00091529 0.03023251 -0.00123896 0.00063987 0.00092744 -0.00389709 -0.00069599 0.00129724 -0.00110363 0.00035157 -0.00034842 0.57906522 0.00089573 0.01358583 -0.00046913 -0.00139681 0.00662712 -0.00060466 0.00036281 -0.07242585 -0.00085932 -0.00010878 0.00348173 0.00226205 0.00011674 -0.00079033 0.00007882 -0.00036950 0.00032721 -0.00204617 0.00027119 -0.00035341 0.00099315 0.00130332 0.52377480 -0.00050607 -0.00048387 0.00199785 -0.00549920 -0.00072049 -0.02536502 -0.00248790 -0.00085627 -0.21011179 0.00539278 0.00004916 -0.01864700 -0.00079710 -0.00050668 0.00028234 0.00075166 0.00027136 0.00081499 -0.00003360 0.00007551 -0.00002730 -0.01301726 -0.00086588 0.47950975 -0.00254990 -0.00281993 -0.00251584 0.00044454 0.00016573 -0.00042652 -0.00125072 -0.00046151 -0.00035624 -0.00259280 0.00348657 0.00373823 0.00259066 0.00190889 0.00142391 -0.15989834 0.04776897 0.02975503 -0.02581230 0.01134510 0.00819077 0.00039818 0.00008449 -0.00001164 0.50219431 -0.00254930 -0.00098618 -0.00114742 -0.00018701 -0.00001138 -0.00039125 0.00097983 0.00097440 0.00183067 -0.00691722 -0.00062385 0.00033361 0.02754160 -0.02330642 -0.01192654 0.04467184 -0.09974622 -0.02123819 -0.00532133 0.00604175 0.00440978 -0.00062608 -0.00009511 0.00000205 0.03797377 0.54882309 -0.00248775 -0.00206726 -0.00260849 0.00118540 0.00039483 -0.00042659 -0.00343582 -0.00419905 -0.00196339 0.02839260 -0.01760004 -0.01577055 -0.00546746 0.00175563 -0.00185026 0.02813896 -0.02006216 -0.08357267 -0.01092889 0.00771947 0.00607092 0.00113132 0.00023325 -0.00017584 0.03120006 -0.00689638 0.54841194 0.00030627 0.02755884 -0.00165045 0.00083085 0.00071313 -0.00102834 -0.00152510 -0.00004666 -0.00010251 0.00151451 0.00074068 0.00054427 -0.00550224 -0.00035749 -0.00081982 -0.00560669 -0.03165990 0.00039577 -0.07702465 -0.01343249 0.00177711 0.00030860 0.00019217 -0.00007073 -0.00072147 -0.00089622 -0.00055808 0.57164471 0.00553574 -0.02369550 -0.00182085 -0.00129185 -0.00076958 -0.00032951 0.00100603 -0.00093792 -0.00038221 0.00107372 0.00061836 0.00073887 -0.00021116 0.00106780 0.00071313 -0.00984772 -0.01311053 -0.00376936 -0.00988810 -0.16957562 0.01048555 -0.00003567 -0.00008521 0.00008993 -0.00080453 0.00134226 -0.00027584 -0.02213877 0.45752261 -0.00097954 -0.01502814 0.00170834 0.00060781 -0.00080398 0.00114612 -0.00079446 0.00032645 -0.00039767 0.00109834 -0.00025712 0.00082187 -0.00333475 -0.00071969 0.00011502 -0.00270616 -0.01653718 0.00089224 0.00277527 0.00885486 -0.08070029 0.00011619 0.00007341 -0.00013685 -0.00109481 0.00048097 -0.00081348 -0.00000045 0.01043645 0.56815158 -0.04522928 0.00447100 -0.00173394 0.00043809 0.00146912 -0.00129062 -0.00016188 -0.00029240 -0.00077062 -0.00008919 -0.00007554 -0.00025560 -0.00050336 0.00003433 -0.00055153 0.00159333 0.00093388 0.00070918 -0.00190159 0.02587565 -0.00758653 -0.00004740 -0.00026489 -0.00007245 -0.00000643 -0.00002543 -0.00008186 -0.00446154 0.00095756 0.00169474 0.04945362 0.00717048 -0.26264317 0.07768047 0.00021512 0.00429650 0.00281358 -0.00119974 0.00056949 -0.00074787 -0.00086572 -0.00001280 0.00018101 -0.00002555 -0.00065175 -0.00067223 -0.00055046 -0.00052191 -0.00031931 0.00005589 -0.01498447 0.00410324 0.00024154 -0.00032460 0.00027314 0.00016114 0.00005567 0.00007920 0.00355876 -0.00046894 -0.00225170 -0.00691842 0.28929188 -0.00304146 0.08417564 -0.07158745 -0.00438549 0.02947834 -0.01794047 0.00379201 0.00062406 -0.00104517 0.00023136 0.00130638 0.00071138 -0.00024375 0.00036969 -0.00031662 -0.00072752 0.00071314 -0.00074179 0.00050000 -0.01323424 0.00286537 -0.00079333 -0.00313329 -0.00024350 0.00004379 -0.00022914 0.00031593 0.00273458 -0.00147255 -0.00068518 0.00163029 -0.08668293 0.08486555 -0.22254273 -0.09528388 -0.06841528 0.00027290 0.00139661 -0.00036582 0.00137680 -0.00082935 0.00031240 0.00017144 0.00033097 0.00050478 0.00024370 0.00051013 0.00041984 -0.00251286 0.00280917 0.00335940 -0.02242793 -0.01051798 -0.00893549 -0.00002682 -0.00007516 -0.00001164 -0.00098061 -0.00098615 -0.00103223 0.00059121 -0.00199313 -0.00119530 -0.00004397 -0.00073383 0.00032721 0.24362982 -0.09757294 -0.09756721 -0.03888056 0.00171056 0.00049468 0.00171754 0.00031762 0.00029872 -0.00003529 -0.00009330 -0.00034759 -0.00011832 0.00000761 -0.00044851 -0.00015648 0.00246583 -0.00212372 -0.00148060 0.01389776 0.00533324 0.00547810 -0.00004939 0.00014790 0.00019609 0.00080345 0.00063593 0.00047733 0.00172075 0.00069937 0.00033693 -0.02621425 -0.01571634 -0.00928642 0.10328914 0.10739568 -0.06740196 -0.03735055 -0.07260089 -0.03065962 -0.01524500 -0.01395128 0.00286673 -0.00079552 -0.00532495 0.00040511 -0.00053376 0.00037508 0.00004768 -0.00015730 -0.00029767 0.00138241 -0.00122433 -0.00133346 0.01051686 0.00525438 0.00401620 -0.00131422 0.00183085 -0.00009186 0.00063185 0.00025326 0.00059377 0.00024779 0.00034621 0.00051446 0.00918960 0.00503173 0.00373725 0.07412811 0.04229909 0.08328878 0.00286012 -0.00035261 -0.00301991 -0.26644071 0.00146794 0.11184591 -0.02366099 -0.00026896 0.01592432 -0.00178456 0.00043791 -0.00440382 -0.00001775 0.00010732 -0.00012387 0.00028080 0.00004232 -0.00052708 0.00079310 -0.00032253 -0.00072635 0.00071721 0.00010970 0.00212874 0.00009683 -0.00007018 0.00006989 -0.00001669 -0.00007406 0.00010756 -0.00014396 0.00035011 0.00038226 0.00105468 0.00003094 0.00036670 0.28623084 -0.00156301 0.00253208 -0.00050534 0.00086418 -0.03306644 -0.00026787 -0.00053067 0.00445871 0.00003492 -0.00068999 0.01009696 -0.00094085 0.00193742 0.00007981 -0.00065060 -0.00144500 -0.00064599 -0.00033686 0.00197746 -0.00013994 -0.00073363 0.00012932 -0.00779843 0.00020583 -0.00000136 -0.00008648 0.00023831 -0.00012327 0.00029970 -0.00008680 0.00057324 -0.00059726 -0.00035883 0.00063777 0.00044444 0.00030908 -0.00127915 0.02283302 0.02548024 -0.00223479 -0.01064036 0.11732895 -0.00120686 -0.11529908 -0.01552209 -0.00000223 0.00813828 -0.00269297 -0.00014505 -0.00127414 -0.00021620 -0.00006787 -0.00036473 -0.00049550 0.00011123 -0.00050807 -0.00191147 0.00220098 -0.00485573 -0.00174103 0.00012861 0.00169311 0.00014678 0.00006205 0.00021116 0.00018897 0.00029607 -0.00001324 0.00004872 0.00059344 -0.00105450 -0.00032374 -0.00042545 0.00149059 -0.12124851 0.00232565 0.12233898 0.00027765 0.00016284 0.00042320 -0.00298694 0.00059943 0.00464751 -0.02021206 0.00639006 -0.01724513 -0.22199453 0.05926769 -0.12161851 0.00524862 -0.00277415 0.00510578 -0.00041268 -0.00109518 0.00177629 0.00029111 0.00036385 0.00006682 0.00104176 0.00002435 -0.00181613 0.00065382 0.00023073 0.00129392 0.00009641 0.00010440 -0.00014650 -0.00002674 0.00004899 -0.00021074 0.00002508 -0.00001644 -0.00011224 -0.00126841 -0.00068744 -0.00075420 0.23712230 0.00038129 -0.00067858 0.00010122 0.00032250 0.00067254 -0.00007603 -0.00263901 -0.00073840 0.00000311 0.05984452 -0.05504945 0.04054703 0.02268896 -0.00770108 0.01496793 -0.01740365 0.00237306 -0.00726004 0.00113976 0.00125681 -0.00388306 -0.00020537 0.00050939 -0.00010634 -0.00038981 0.00079414 0.00204447 0.00003209 0.00030649 -0.00001405 -0.00011319 0.00024124 -0.00002856 -0.00002567 0.00012694 0.00002287 -0.00019044 0.00063399 -0.00010476 -0.06126781 0.05824376 0.00023555 -0.00048539 -0.00030978 0.00295174 0.00040846 -0.00192377 0.01213288 -0.00466372 0.00960719 -0.12109991 0.04203450 -0.13352516 -0.00545862 0.00128735 -0.00898515 -0.01652116 0.00830576 -0.01323663 0.00201950 0.00226354 -0.00307810 0.00066627 -0.00046555 0.00114863 -0.00219287 -0.00087680 0.00212891 -0.00008348 0.00027523 0.00006980 0.00000965 -0.00002322 0.00018862 -0.00012629 -0.00001754 0.00015068 0.00074715 0.00068585 0.00058514 0.12652564 -0.04767545 0.14713405 0.00013455 0.00009937 0.00023082 0.00022076 -0.00038794 0.00000121 -0.00039224 -0.00008261 0.00003296 -0.00047494 0.00083832 -0.00183803 -0.29687765 -0.09663681 0.01422026 -0.00106800 0.00054266 0.00045285 0.00036642 -0.00005645 0.00077565 -0.00002667 -0.00016637 -0.00015010 0.00021473 0.00174111 -0.00001927 0.00001107 0.00009068 -0.00008281 0.00029296 0.00001574 0.00019609 -0.00002026 -0.00010072 0.00003750 0.00000338 -0.00000363 0.00004574 0.00093370 0.00010343 -0.00009712 0.31089147 0.00062816 -0.00033024 0.00007903 -0.00057572 0.00022706 0.00058671 0.00069590 -0.00117782 -0.00132171 -0.00792161 -0.00734745 -0.00001389 -0.09341503 -0.08445096 0.00813530 -0.02021448 -0.00963242 0.00284564 0.00130530 -0.00315656 0.00239427 -0.00006179 -0.00007145 -0.00009414 -0.00208793 0.00195714 -0.00146094 -0.00113126 0.00002066 -0.00063161 -0.00017846 0.00029382 -0.00027869 -0.00007269 0.00022537 -0.00009918 -0.00006009 0.00021008 -0.00003221 -0.00033279 0.00137075 0.00095314 0.10349516 0.09288427 0.00007962 -0.00002690 -0.00109605 0.00147517 0.00055475 -0.00107817 -0.00067764 0.00491870 0.00023311 0.02704540 0.00772710 -0.00169539 0.01378347 0.00780190 -0.03522548 -0.02016853 -0.00361578 -0.00092232 0.00046873 -0.00405937 0.00154531 0.00056909 0.00008535 0.00021038 -0.00041292 0.00256489 0.00047708 -0.00146046 -0.00001238 -0.00083497 -0.00013016 -0.00032008 0.00029552 -0.00003737 -0.00010663 0.00017954 0.00009336 -0.00052206 0.00021994 -0.00060775 -0.00308957 0.00116587 -0.01553886 -0.00926605 0.03665636 -0.00113393 -0.00094693 -0.00064867 0.00024646 0.00008203 0.00011965 0.00104828 -0.00019450 0.00087271 0.00297699 -0.00480895 0.00139848 -0.20927041 0.14165217 -0.03304868 0.00302043 -0.00386673 0.00152994 -0.00002180 0.00019148 -0.00051188 -0.00000717 -0.00011203 0.00007671 -0.00029517 -0.00013139 -0.00007216 0.00006606 0.00006383 0.00016066 -0.00146938 -0.00130652 -0.00054881 0.00006163 -0.00009463 -0.00006404 0.00005343 0.00011799 -0.00001915 0.00016059 -0.00072412 0.00029453 -0.01545956 0.01833650 -0.00442423 0.21916557 0.00017993 -0.00054383 0.00005058 -0.00052269 0.00006379 0.00055945 0.00209400 0.00123891 0.00038159 0.00486165 -0.00961117 0.00109018 0.13769321 -0.17097958 0.02946503 0.01484124 -0.01216180 0.00632804 0.00161075 0.00169641 -0.00078981 -0.00045920 -0.00011912 0.00014116 -0.00177363 -0.00314993 0.00209452 0.00007760 0.00017177 0.00017310 -0.00106024 0.00065252 -0.00070265 0.00003508 0.00048479 -0.00016631 -0.00003007 -0.00002122 -0.00009276 -0.00033977 -0.00094910 -0.00087490 -0.00960620 0.00964369 -0.00244920 -0.14838210 0.18389314 -0.00024718 -0.00058001 0.00111382 0.00032272 -0.00089531 0.00021172 -0.00316653 -0.00246446 0.00157539 -0.02081376 0.01704167 -0.00655434 -0.03206629 0.02814769 -0.04035959 0.01837908 -0.00850878 0.00214203 0.00046193 0.00230926 0.00031651 -0.00022883 0.00028212 -0.00016291 -0.00094702 -0.00464031 0.00115655 0.00044593 0.00005642 0.00009556 -0.00058757 0.00030514 0.00021971 -0.00003020 0.00020468 -0.00009295 0.00007421 0.00016582 -0.00002203 0.00127051 0.00495569 -0.00102930 0.00129122 -0.00165179 -0.00005608 0.03492287 -0.03384667 0.04265185 -0.00254770 -0.00370668 0.02743630 -0.00441068 0.00214536 -0.00020944 -0.00075550 0.00016827 0.00063924 -0.00529443 0.00107567 -0.00209008 0.00172312 0.00081736 0.00172934 -0.00204719 0.00457760 -0.03055038 -0.04708433 -0.00321686 0.01081014 0.00032481 -0.00018084 0.00004601 0.00163354 -0.00014184 -0.00088177 -0.00004008 -0.00120778 0.00418761 0.00159242 -0.00021696 -0.00032026 0.00024572 -0.00055757 -0.00043911 0.00011294 0.00000250 0.00154201 0.00007162 -0.00131898 -0.00128373 -0.00002884 -0.00001602 -0.00000691 0.00000738 -0.00051328 -0.00001759 0.05552465 0.00246475 0.00106061 -0.01716529 0.00344696 -0.00070665 -0.00062619 -0.00010399 0.00011874 0.00021299 -0.00197962 0.00036569 -0.00139343 0.00081895 0.00137914 0.00054311 -0.00105517 0.00117260 -0.01050579 -0.00353721 -0.06008886 0.05971606 -0.00006063 0.00007530 0.00004590 0.00029381 -0.00019968 0.00042765 -0.00203630 -0.01291374 0.03364823 -0.00059262 0.00101932 -0.00056147 -0.00010777 0.00011327 0.00041739 0.00001092 0.00019212 -0.00098801 -0.00003075 -0.00048826 -0.00062395 -0.00002026 0.00013231 0.00016157 0.00012672 -0.00025387 -0.00005163 0.00298798 0.07308218 0.00146478 0.00164058 -0.01307112 0.00262655 -0.00097356 0.00109928 -0.00068526 0.00019390 0.00085814 -0.00223667 0.00085246 0.00009499 0.00044337 -0.00020483 0.00111619 -0.00172206 0.00142591 -0.01683152 0.01211846 0.05892669 -0.27704374 -0.00001962 0.00018960 0.00004530 0.00057086 -0.00012427 0.00026097 0.00019816 0.00113721 -0.00232590 -0.00041711 -0.00051630 0.00100774 0.00047971 0.00008239 0.00008146 -0.00010203 0.00012479 -0.00069109 -0.00011019 -0.00083580 -0.00054543 -0.00004470 -0.00018382 -0.00002349 -0.00014275 -0.00048281 -0.00037056 -0.01182808 -0.06250879 0.30312710 0.00030990 -0.00000556 0.00014532 0.00089837 0.00003272 -0.00186017 0.00031411 -0.00011068 -0.00065720 0.00076919 0.00033015 -0.00009021 0.00008430 0.00004277 0.00007603 0.00000659 -0.00012593 -0.00032980 -0.00001240 -0.00005298 -0.00004733 -0.27600217 -0.00259137 0.09271169 0.00005074 -0.00004366 0.00004267 0.00004421 -0.00002873 0.00000030 -0.00001934 0.00000559 0.00002866 0.00001993 0.00000734 0.00007233 0.00056493 0.00002126 0.00022183 0.00040103 -0.00015648 -0.00013385 0.00000644 -0.00001055 -0.00001477 0.00000093 -0.00002718 0.00003232 0.00004642 0.00003337 0.00005171 0.29892848 0.00001707 -0.00018649 0.00001942 -0.00005315 -0.00045714 0.00000949 0.00041581 -0.00140842 -0.00002198 0.00026836 0.00212514 0.00059335 0.00031100 -0.00006576 -0.00045466 -0.00027371 0.00036523 -0.00028364 -0.00001193 -0.00003088 -0.00003242 -0.00278820 -0.04690553 0.00103523 0.00003377 -0.00007400 0.00014709 -0.00000167 -0.00000736 -0.00001329 -0.00000320 -0.00001509 0.00006625 -0.00000092 0.00000298 -0.00003201 0.00001504 0.00029132 -0.00000965 -0.00023954 -0.00016773 -0.00008719 0.00000583 -0.00000866 -0.00008561 -0.00001034 -0.00004024 0.00002911 0.00002300 -0.00000440 0.00000971 0.00291869 0.04526711 -0.00022970 0.00010670 0.00017642 0.00167682 -0.00000562 0.00206001 0.03251402 0.00067151 -0.01258148 -0.00210997 -0.00039354 -0.00548265 0.00020175 -0.00028936 -0.00034467 0.00124756 0.00028830 -0.00015793 0.00026284 -0.00012986 0.00032811 0.08913266 0.00089669 -0.08350411 -0.00014887 0.00024837 -0.00036994 -0.00007221 0.00002387 -0.00005222 0.00003928 -0.00003150 0.00001624 -0.00001803 -0.00002674 0.00000128 -0.00137430 0.00001528 -0.00001728 -0.00003752 -0.00003437 0.00011590 0.00001528 -0.00000321 -0.00015102 0.00002294 0.00014343 0.00004800 -0.00011833 0.00002760 -0.00001222 -0.10035890 -0.00112092 0.09251006 0.00005846 -0.00060152 -0.00013533 0.00087772 0.00052779 -0.00051202 -0.00193587 -0.00062885 -0.00335218 0.00035032 -0.00070346 0.00054890 0.00020880 0.00019595 -0.00015495 -0.00003475 -0.00002046 0.00001147 0.00002606 0.00007619 -0.00015480 -0.10843713 0.10083992 -0.04025799 0.00000868 0.00006414 -0.00002512 0.00001483 0.00004543 -0.00008819 -0.00003926 -0.00004695 0.00016549 -0.00002420 -0.00000341 -0.00009738 0.00029338 0.00056500 -0.00002497 0.00003945 0.00013284 -0.00007781 0.00000804 -0.00000145 -0.00005020 -0.00002986 -0.00000934 0.00006044 0.00003110 -0.00006861 -0.00004113 -0.01358254 0.02396235 -0.01061216 0.11478919 0.00001312 -0.00043783 -0.00010351 -0.00082741 0.00007762 -0.00048506 -0.00083773 0.00328681 0.00001519 0.00056579 0.00029706 0.00027898 -0.00015934 0.00003075 -0.00006071 -0.00018760 0.00003508 -0.00000640 0.00008790 0.00006633 -0.00007128 0.10103058 -0.20526530 0.07051784 -0.00000209 -0.00002805 0.00002995 -0.00004685 0.00005099 -0.00001539 -0.00000172 0.00000436 0.00012996 -0.00003827 0.00002017 -0.00001664 -0.00005202 0.00018537 -0.00004452 -0.00058590 -0.00006571 0.00020048 -0.00001209 0.00000250 0.00004886 0.00000397 0.00002395 -0.00013257 -0.00003452 0.00000555 0.00000465 -0.00131152 0.00084836 -0.00122726 -0.11149035 0.22377109 -0.00107929 -0.00238750 -0.00011688 0.00267744 -0.00003058 -0.00301252 -0.01937496 0.02667089 -0.01527579 -0.00151637 -0.00076899 0.00076864 0.00004937 0.00006458 0.00032221 0.00007761 -0.00023292 0.00019691 -0.00046940 0.00018123 -0.00005016 -0.04182563 0.07205787 -0.07497327 0.00002709 0.00010157 -0.00000663 0.00011466 0.00003667 -0.00011284 0.00009937 0.00008553 0.00024204 0.00005435 -0.00011841 -0.00078119 -0.00011810 0.00110536 -0.00007434 0.00098726 0.00001474 0.00021795 0.00009248 -0.00001533 -0.00001421 -0.00001701 -0.00010054 0.00005272 0.00016186 -0.00006835 -0.00006629 0.00521016 -0.01032676 0.00384561 0.04915323 -0.07800055 0.08521149 -0.00008446 0.00060561 -0.00003617 0.00084466 -0.00028076 -0.00070546 -0.00153243 0.00031797 -0.00312764 0.00007698 0.00023687 0.00037557 0.00030884 -0.00001279 -0.00011064 -0.00002240 -0.00000380 -0.00032360 0.00011933 0.00001422 0.00009603 -0.10316770 -0.09883578 -0.03639208 -0.00000817 0.00003669 0.00000919 0.00000616 -0.00001602 0.00003053 0.00002270 -0.00003515 -0.00013251 -0.00002092 -0.00000405 0.00001302 0.00027686 -0.00066926 -0.00000254 0.00002294 0.00013865 -0.00003615 0.00002853 0.00003532 -0.00005075 -0.00002877 -0.00000610 -0.00001252 -0.00002047 -0.00001245 0.00000767 -0.01279981 -0.02454624 -0.01019682 0.00736155 0.01391302 0.00565072 0.10860264 0.00000951 -0.00012336 0.00016919 0.00090882 0.00005930 0.00044956 0.00028219 0.00275278 -0.00059767 -0.00037041 0.00060718 0.00002757 0.00012965 0.00002765 -0.00024612 0.00022246 0.00003295 -0.00013246 -0.00011740 -0.00004192 0.00006721 -0.09903013 -0.21425750 -0.06911727 0.00000370 0.00000154 0.00000956 0.00003344 -0.00002251 0.00005562 0.00001185 -0.00003619 -0.00003932 0.00000941 -0.00002758 -0.00007497 0.00005204 0.00011161 0.00002599 0.00031140 -0.00031507 -0.00011150 0.00005845 -0.00000602 -0.00005982 0.00000443 -0.00003430 0.00006394 0.00006433 0.00000787 -0.00000328 0.00103191 0.00043982 0.00101045 -0.01277590 -0.02286223 -0.00818045 0.10913895 0.23364734 -0.00047825 0.00293930 -0.00030880 0.00211608 -0.00043652 -0.00295463 -0.01867723 -0.02777866 -0.01439501 -0.00083411 0.00074567 0.00188219 0.00036420 0.00028016 -0.00029298 -0.00025551 0.00015758 -0.00014228 -0.00046080 0.00001032 0.00031744 -0.03786280 -0.07064872 -0.07246460 0.00011789 0.00002257 0.00014956 0.00017595 -0.00004961 0.00003857 -0.00009123 -0.00006858 -0.00103926 -0.00001557 -0.00002970 0.00003090 -0.00009472 -0.00110692 -0.00004257 0.00047908 -0.00015624 0.00002914 0.00006373 -0.00000028 -0.00010476 -0.00008158 -0.00009675 -0.00004609 0.00012563 -0.00001093 0.00000048 0.00487186 0.01053634 0.00362772 0.00561205 0.00888456 0.00361615 0.04497267 0.07671663 0.08213978 0.00015795 0.00023860 -0.00005034 -0.00010303 -0.00014323 0.00028432 0.00105985 0.00100670 0.00075024 -0.00494694 0.00135658 0.00069584 0.00104731 -0.00096472 -0.00097934 -0.00405806 -0.00204599 0.02896133 0.00165171 -0.00040370 0.00113376 -0.00047421 -0.00001614 0.00001123 -0.04903274 -0.00294137 0.02465860 -0.00013720 0.00000547 -0.00002578 0.00003548 -0.00001991 -0.00009597 0.00003712 -0.00004939 -0.00008217 -0.00003722 0.00002606 -0.00010497 -0.00005556 -0.00027397 0.00011883 0.00027206 0.00046494 -0.00014236 -0.00001946 0.00001405 -0.00001895 -0.00019039 0.00013907 -0.00082791 -0.00002181 -0.00005338 0.00016339 0.00001803 -0.00001551 0.00000205 0.00001316 0.00000025 -0.00005395 0.05244531 -0.00008277 -0.00018507 -0.00013252 0.00013245 0.00007675 -0.00004287 -0.00061419 -0.00088067 -0.00052255 0.00374394 0.00001377 -0.00146423 -0.00108389 0.00151078 0.00081048 0.00146171 0.00074506 -0.01696875 -0.00073855 0.00033656 0.00014794 0.00028561 0.00001855 -0.00000879 -0.00305856 -0.05048597 0.02793326 -0.00013893 0.00012692 0.00026669 -0.00000012 -0.00001924 0.00003434 -0.00002362 0.00001745 0.00003881 0.00003720 0.00006097 0.00003501 0.00002754 0.00006558 0.00020878 -0.00017053 -0.00029729 -0.00006943 0.00007202 0.00018278 0.00009669 0.00007097 0.00010445 0.00030416 0.00001065 0.00003189 -0.00010000 -0.00001613 0.00001087 -0.00002342 -0.00000853 0.00000389 0.00001850 0.00059337 0.05063434 0.00013646 -0.00032138 0.00006621 0.00015981 0.00016005 -0.00007596 -0.00081279 -0.00091263 0.00008218 0.00228105 0.00035780 0.00091460 -0.00031136 -0.00066166 0.00059051 0.00193401 -0.00018601 -0.01113754 -0.00068489 -0.00012446 0.00041664 0.00024969 0.00004509 0.00003680 0.02446138 0.02789351 -0.29609585 0.00028991 0.00005004 0.00002657 -0.00005524 0.00000494 0.00009715 0.00004976 0.00000576 0.00004126 0.00007605 0.00012678 0.00006264 0.00010542 0.00033978 0.00045742 0.00012510 -0.00038372 -0.00022813 -0.00003560 -0.00017766 -0.00006447 0.00076758 0.00004757 0.00044697 0.00004389 0.00002083 -0.00008004 -0.00001934 -0.00000593 0.00001414 -0.00002095 0.00000262 0.00003787 -0.03009943 -0.02922176 0.32421279 0.00010643 -0.00011544 0.00019515 -0.00008621 -0.00007185 0.00008343 0.00012895 0.00000692 -0.00018153 0.00153657 -0.00170141 -0.00103722 -0.00488371 0.00201152 -0.00030766 0.00158968 0.02828773 -0.00493792 0.00108537 0.00042997 -0.00015623 -0.00002492 0.00000500 0.00000990 -0.04710913 -0.01024609 0.00260605 -0.00102514 -0.00022240 -0.00021338 0.00013027 -0.00011406 -0.00003287 -0.00004188 -0.00007158 -0.00003279 -0.00001646 0.00002448 -0.00002506 0.00019270 -0.00013186 0.00049352 0.00010744 0.00013379 -0.00011227 0.00038360 0.00116533 0.00117981 -0.00006755 -0.00007630 0.00005171 -0.00001335 0.00000775 0.00000609 0.00000447 0.00001291 -0.00000877 0.00000022 -0.00001596 -0.00003164 -0.00090247 -0.00260162 -0.00013328 0.05136364 0.00008494 0.00009453 -0.00001233 0.00009363 0.00008372 -0.00001091 -0.00036607 0.00000609 -0.00004809 -0.00033339 0.00115949 -0.00032487 0.00338316 -0.00008146 0.00106806 0.00007676 -0.01563906 0.00154963 -0.00051353 -0.00069720 -0.00047320 0.00012417 -0.00003809 0.00001480 -0.00879232 -0.29508344 0.05523272 -0.00085339 -0.00073355 -0.00086793 -0.00010489 0.00009311 0.00000710 0.00014626 0.00003516 0.00000656 0.00003230 -0.00001916 0.00000245 0.00005903 -0.00025383 -0.00062345 0.00014516 0.00045203 0.00042498 0.00005922 -0.00046198 -0.00116340 -0.00001927 0.00007280 0.00002552 0.00001958 0.00000661 -0.00004939 -0.00001365 0.00001414 -0.00002953 -0.00000584 0.00001156 0.00002671 -0.00063275 -0.00271875 0.00046801 0.00962474 0.32425387 -0.00008549 -0.00013704 0.00005083 -0.00004794 -0.00001938 0.00006898 0.00015471 0.00011162 0.00013226 -0.00101313 0.00067664 0.00177520 0.00254863 -0.00257674 0.00059400 -0.00079537 -0.01208076 0.00089166 -0.00020682 0.00058522 -0.00014861 -0.00005368 -0.00003492 0.00002183 0.00180222 0.05544062 -0.05929197 -0.00031523 0.00047964 0.00078620 0.00001146 -0.00003160 -0.00006224 -0.00002960 0.00004178 -0.00000562 -0.00000528 -0.00000968 -0.00001232 -0.00024326 0.00005558 -0.00023778 0.00014711 0.00028696 0.00013664 0.00012960 -0.00071618 -0.00077202 0.00004264 0.00002480 0.00009009 -0.00000838 0.00000348 0.00001892 0.00000086 0.00001004 -0.00003118 -0.00000072 0.00000255 -0.00000780 0.00178070 0.03208599 -0.00644807 -0.00360329 -0.05877916 0.06022966 -0.00099524 -0.00109096 -0.00114308 0.00032940 0.00007941 -0.00036959 -0.00004682 -0.00032408 0.00045931 0.00027890 -0.00071313 -0.00150086 0.00050412 -0.00172140 -0.00087412 -0.02366511 -0.01020904 -0.01215917 -0.00241565 0.00335607 0.00348756 0.00003792 0.00002261 -0.00000825 -0.21626851 -0.08159639 -0.09273380 0.00028360 0.00064911 0.00000590 -0.00007767 0.00010240 0.00003669 -0.00050441 0.00037570 0.00027135 0.00004296 0.00005423 0.00013173 0.00042071 0.00009758 0.00093503 0.00080646 0.00097873 0.00033039 0.00048096 0.00013460 -0.00022570 0.00019531 0.00008951 -0.00006237 0.00001409 -0.00001115 -0.00000049 -0.00000623 -0.00003308 0.00005900 -0.00000132 0.00002727 0.00005652 0.00313892 0.00186696 0.00159531 -0.00083296 -0.00047583 -0.00007031 0.23826597 0.00065381 0.00069466 0.00041545 0.00000017 0.00000129 0.00003759 0.00012403 0.00006713 0.00002579 -0.00028261 0.00056565 0.00039934 0.00163472 0.00074674 0.00067825 0.01369990 0.00385201 0.00691411 0.00236357 -0.00199611 -0.00148629 -0.00002735 0.00002305 -0.00001018 -0.08461054 -0.08587753 -0.04615757 -0.00011014 -0.00063625 -0.00065440 -0.00004757 0.00000855 0.00004457 0.00031889 -0.00011388 -0.00011401 -0.00000953 -0.00001334 -0.00002022 -0.00020420 0.00003945 0.00023004 0.00024750 -0.00057813 0.00009394 -0.00017026 0.00003729 -0.00001226 -0.00018418 -0.00001896 -0.00014352 0.00000418 -0.00000823 0.00001015 -0.00000887 -0.00001611 0.00000564 -0.00000197 0.00000549 -0.00000572 0.00385051 0.00087549 0.00221872 -0.02519815 -0.01156256 -0.01485293 0.08851775 0.09312752 0.00047876 0.00001837 0.00034634 -0.00009119 0.00001084 0.00018501 -0.00006035 0.00004473 -0.00010130 0.00082039 0.00050674 0.00094925 0.00008618 0.00005035 0.00060452 0.00924273 0.00391099 0.00298438 0.00116562 -0.00085697 -0.00044906 -0.00001000 -0.00000498 -0.00000375 -0.09501467 -0.04567802 -0.09788558 0.00018278 -0.00014511 0.00009818 -0.00000659 0.00000098 -0.00001069 0.00013227 -0.00007581 -0.00006214 -0.00001928 0.00002878 0.00001211 0.00016884 0.00013531 -0.00022632 0.00003816 0.00028881 0.00024966 0.00010504 0.00009865 -0.00004598 0.00030321 -0.00010132 0.00030798 -0.00001070 -0.00000494 0.00000597 0.00000367 0.00000556 -0.00000627 0.00000798 -0.00000372 -0.00000816 -0.02594994 -0.01323844 -0.01339868 0.00678605 0.00310297 0.00289721 0.10173541 0.05177837 0.10359826 0.00043207 0.00116733 0.00038279 0.00009637 0.00003157 -0.00012486 -0.00019784 0.00004924 0.00019860 0.00007587 0.00015599 -0.00006134 -0.00022094 0.00014995 0.00013132 0.00055889 -0.00078639 0.00088577 -0.00455080 -0.00020040 -0.00172557 0.00006901 -0.00002588 0.00000731 -0.00010908 0.00023202 -0.00048935 -0.24180553 -0.05667270 -0.09900191 0.00031908 0.00012521 0.00019796 0.00075167 0.00027516 0.00002011 0.00003395 -0.00003671 -0.00002235 0.00001159 -0.00001790 -0.00002801 0.00005835 -0.00007801 -0.00010056 0.00005699 -0.00007368 -0.00004245 0.00004462 -0.00024819 0.00041068 0.00002414 -0.00000152 -0.00002805 -0.00000686 -0.00000801 0.00002744 -0.00000412 0.00000498 0.00001275 0.00003214 -0.00000125 0.00001684 0.00022584 -0.00043517 0.00020750 -0.00001851 -0.00025864 0.00003244 0.26282229 -0.00230904 0.00112504 -0.00023756 0.00043844 0.00012320 -0.00023095 -0.00045628 0.00007103 0.00012858 0.00034925 0.00029154 0.00016375 -0.00211398 -0.00015165 -0.00006928 0.00112131 -0.00695877 0.00127634 -0.02819002 -0.00967395 -0.01569199 0.00016946 -0.00000577 -0.00001224 0.00086664 -0.00052169 0.00000511 -0.05469048 -0.06088249 -0.02748664 0.00002993 0.00042722 0.00032324 0.00120141 -0.00020532 -0.00004183 0.00002165 -0.00004710 -0.00001995 -0.00002033 -0.00008175 -0.00011353 -0.00004579 -0.00044961 -0.00063439 0.00001401 0.00003682 0.00015422 0.00025159 0.00136156 0.00041171 0.00001594 0.00000374 -0.00004871 -0.00000744 -0.00000917 0.00002629 -0.00000349 0.00001674 0.00004488 -0.00004911 0.00003301 0.00001828 -0.00015105 0.00048783 -0.00011060 -0.00007178 0.00023975 -0.00002592 0.06157761 0.06947020 -0.00069151 -0.00018562 -0.00003632 -0.00001433 -0.00001935 -0.00036234 -0.00003138 -0.00016672 0.00017678 0.00029719 0.00035863 0.00031136 -0.00009750 0.00006232 0.00042066 0.00013811 0.00007027 0.00034362 0.00298146 0.00115169 0.00038515 0.00003186 0.00002614 0.00005828 0.00030299 0.00004143 0.00019873 -0.09892325 -0.02829688 -0.09715243 0.00027119 0.00010861 0.00001970 0.00050819 -0.00035425 0.00019400 0.00003515 -0.00007294 -0.00002997 0.00003918 0.00004169 0.00001324 0.00000442 -0.00008152 -0.00000074 0.00000822 -0.00006295 -0.00002700 0.00033230 -0.00047512 0.00042942 0.00001698 -0.00001008 -0.00001887 0.00000514 0.00001011 0.00004745 0.00000216 -0.00000601 0.00000013 -0.00006700 -0.00010572 0.00003642 0.00005823 0.00013548 -0.00020224 -0.00001297 0.00012643 0.00000304 0.10874588 0.03099433 0.10085615 -0.00010929 -0.00067663 -0.00044583 0.00012913 0.00002393 -0.00016450 -0.00003766 -0.00002333 0.00006844 -0.00003981 -0.00008830 -0.00004965 0.00016292 0.00009922 0.00004751 0.00016600 0.00054720 -0.00024780 0.00381516 -0.00278384 -0.00321730 0.00002278 -0.00000895 -0.00001568 -0.00163858 -0.00060456 -0.00069477 -0.18975360 0.09693696 0.09138599 0.00038780 0.00006605 0.00023462 0.00063212 -0.00005460 0.00014644 0.00000415 0.00000433 -0.00001828 0.00001653 -0.00000287 0.00002101 0.00001024 0.00005195 0.00003402 -0.00000391 0.00000680 0.00000598 0.00026742 0.00060137 -0.00026560 -0.00000895 -0.00000330 0.00000054 0.00000507 -0.00000883 0.00002750 0.00000690 0.00001082 0.00001946 -0.00002852 0.00010611 0.00003867 -0.00171664 -0.00147668 -0.00050286 0.00004256 -0.00034332 -0.00000777 -0.02021901 0.01333842 0.01377574 0.20837091 -0.00232854 -0.00622604 0.00139839 0.00003625 0.00004056 0.00085164 0.00025959 0.00027699 -0.00015645 -0.00015698 -0.00011029 0.00019019 -0.00012123 0.00006297 -0.00001486 0.00132346 0.00077052 -0.00008602 0.02460139 -0.01431646 -0.01571811 -0.00012033 -0.00004097 0.00002010 0.00011133 -0.00034998 0.00002896 0.09503191 -0.11085943 -0.06004610 0.00159214 -0.00122933 -0.00105613 -0.00020499 0.00012982 0.00019678 0.00001555 0.00000939 -0.00021681 -0.00005931 -0.00003759 -0.00004961 -0.00010315 -0.00002538 0.00000900 0.00002599 0.00013946 0.00008891 0.00006909 0.00141128 0.00047906 -0.00000388 -0.00000688 0.00001634 -0.00002226 0.00001955 -0.00007108 -0.00000194 -0.00001853 -0.00007497 -0.00024493 -0.00018984 0.00026903 -0.00088195 0.00056791 -0.00049588 -0.00001742 0.00049110 0.00014884 -0.00579922 0.00366072 0.00443073 -0.10514149 0.12135024 -0.00036758 0.00082361 0.00073069 -0.00042137 -0.00022597 0.00005573 0.00042026 -0.00007814 0.00018678 0.00004615 -0.00006186 0.00009206 -0.00029454 0.00002081 -0.00011827 0.00061900 -0.00038677 -0.00019092 -0.00310920 0.00222584 0.00043683 -0.00005568 -0.00003658 0.00005418 0.00050875 -0.00084371 0.00072924 0.09043018 -0.06085723 -0.10411917 0.00002292 0.00025235 0.00010787 0.00026776 0.00015202 -0.00006481 -0.00003353 0.00007857 0.00004504 -0.00004768 -0.00002420 -0.00002807 -0.00002668 -0.00006530 0.00000042 -0.00001841 0.00006349 0.00006095 -0.00047083 -0.00037966 0.00052994 -0.00000779 0.00000926 0.00001370 0.00001974 0.00002531 -0.00001438 -0.00000644 -0.00002099 -0.00004763 0.00004070 0.00009594 -0.00012052 -0.00083953 0.00041405 -0.00029810 0.00001045 0.00047520 -0.00009367 -0.01090099 0.00791020 0.00674253 -0.09945305 0.06605120 0.10863026 0.00009396 0.00016063 -0.00057733 -0.00014398 -0.00000449 0.00008439 0.00046190 0.00004456 0.00006153 0.00015309 -0.00020808 -0.00023179 -0.00013507 0.00017224 -0.00014085 0.00037498 0.00005175 0.00125432 -0.00103121 -0.00156215 0.00461474 -0.00005011 -0.00007555 0.00001182 -0.00001208 -0.00018751 0.00017969 -0.04809854 -0.00203629 0.00749313 -0.00004477 -0.00008372 0.00003173 0.00003275 -0.00001958 -0.00014006 -0.00003280 0.00009424 -0.00001193 -0.00007069 -0.00002048 -0.00001228 -0.00001849 0.00003212 0.00005651 0.00001012 0.00008924 -0.00004243 0.00066611 -0.00108353 0.00008182 -0.00002342 0.00001961 0.00002219 0.00000155 0.00002554 -0.00006206 -0.00000091 -0.00000606 -0.00005050 0.00009856 0.00013017 -0.00015804 -0.00013476 0.00017384 0.00015593 -0.00000944 0.00004229 -0.00011903 0.00151979 0.00871313 -0.02771644 -0.00048371 -0.00785909 0.02366737 0.04687718 -0.00030213 0.00132178 0.00044808 0.00100685 0.00015513 0.00015105 -0.00070535 -0.00006797 -0.00066269 -0.00066797 0.00000671 -0.00081659 0.00035804 0.00036682 -0.00003807 0.00091104 0.00165303 0.00097912 -0.00135336 -0.01023119 0.03361573 0.00002442 0.00000577 -0.00015597 -0.00020515 -0.00000001 -0.00013206 -0.00199555 -0.06752829 0.07076132 -0.00005578 0.00026741 -0.00020849 0.00020857 -0.00005576 -0.00015559 -0.00002129 -0.00000422 -0.00017034 0.00006332 -0.00010760 -0.00016132 0.00000915 0.00011234 -0.00007375 -0.00000186 0.00006080 0.00004582 -0.00093895 -0.00700035 0.00016863 -0.00000564 0.00000460 0.00000178 0.00000903 -0.00006614 0.00000402 0.00000689 0.00001950 0.00008039 0.00015849 -0.00007229 -0.00003360 -0.00011045 -0.00004978 0.00003996 -0.00008765 0.00004592 0.00000492 0.00087460 0.00163889 -0.00772070 -0.00057647 0.00448019 -0.01561744 0.00339718 0.07504471 0.00027015 0.00011696 0.00014005 -0.00035099 -0.00075926 -0.00029619 0.00026984 -0.00082479 -0.00010976 0.00030177 0.00012093 0.00024609 0.00011376 -0.00006785 -0.00002138 -0.00043439 0.00022488 0.00033439 0.00007301 0.00154803 -0.00186951 -0.00002137 -0.00001379 0.00003438 0.00019981 0.00030668 0.00012649 0.00735896 0.07224627 -0.28712029 -0.00009535 0.00015196 0.00003682 -0.00000723 0.00012048 -0.00008842 -0.00005449 0.00014737 0.00010247 0.00006038 0.00005906 0.00011295 0.00002698 0.00001351 0.00006097 -0.00000838 -0.00003003 -0.00004147 0.00009265 0.00018705 0.00148531 -0.00000663 0.00000358 0.00000451 0.00002259 0.00000836 0.00000066 -0.00001056 -0.00000732 -0.00001536 -0.00010288 -0.00017812 0.00010911 0.00018351 -0.00009679 -0.00017552 0.00004606 0.00000352 0.00004967 0.00124806 0.00326667 -0.01240674 -0.00072284 0.00380685 -0.01332067 -0.00845243 -0.08035421 0.31262147 0.00001599 -0.00000269 -0.00000181 0.00000080 -0.00000286 -0.00000099 0.00000152 -0.00000429 -0.00000188 0.00000497 -0.00001051 -0.00002173 -0.00000150 -0.00001495 -0.00000109 -0.00001109 0.00001240 0.00001593 0.00000009 -0.00000943 0.00000500 0.00000093 0.00000054 0.00000288 -0.00000594 0.00000219 0.00000507 0.00000707 0.00002292 0.00000219 0.00000182 -0.00000006 -0.00000002 0.00000032 0.00000021 0.00000060 0.00000032 -0.00000066 0.00000031 -0.00000122 0.00000195 -0.00000133 -0.00000256 0.00000140 -0.00000207 -0.00000482 -0.00000416 -0.00000127 -0.00000385 -0.00000417 -0.00000345 0.00000039 0.00000116 -0.00000109 0.00000094 0.00000241 -0.00000182 0.00000068 0.00000088 -0.00000261 -0.00000270 -0.00000029 -0.00000131 -0.00000171 -0.00000023 0.00000141 -0.00000223 0.00000213 0. 0.00000038 0.00000033 0.00000052 -0.00000037 0.00000179 0.00000199 0.00000177 0.00000399 0.00000657 -0.000015987 0.000002688 0.000001811 -0.000000797 0.000002861 0.000000994 -0.000001519 0.000004294 0.000001875 -0.000004965 0.000010505 0.000021735 0.000001504 0.000014945 0.000001090 0.000011086 -0.000012402 -0.000015934 -0.000000089 0.000009431 -0.000004998 -0.000000932 -0.000000538 -0.000002878 0.000005940 -0.000002195 -0.000005073 -0.000007067 -0.000022916 -0.000002191 -0.000001824 0.000000059 0.000000022 -0.000000320 -0.000000207 -0.000000599 -0.000000321 0.000000660 -0.000000314 0.000001224 -0.000001951 0.000001326 0.000002558 -0.000001397 0.000002066 0.000004816 0.000004158 0.000001274 0.000003846 0.000004166 0.000003453 -0.000000392 -0.000001157 0.000001088 -0.000000944 -0.000002408 0.000001819 -0.000000680 -0.000000875 0.000002615 0.000002697 0.000000288 0.000001311 0.000001714 0.000000230 -0.000001406 0.000002233 -0.000002131 0.000000001 -0.000000379 -0.000000335 -0.000000524 0.000000368 -0.000001786 -0.000001994 -0.000001770 -0.000003990 -0.000006568 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-VOLTA08 EFRATP ? ES64L-G16RevA.03 72 C1[X(C10H16)] RB3LYP GTBas3 Freq #P Geom=AllCheck Guess=TCheck SCRF=Check Test B3LYP/GTBas3 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" Initialization pass. 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 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 2 7 11 12 3 13 4 8 5 6 14 6 15 16 7 9 10 17 18 19 20 21 22 23 24 25 26 1.5083 1.5484 1.0986 1.0961 1.3371 1.0871 1.4903 1.5044 1.5248 1.52 1.0868 1.5068 1.0853 1.0837 1.5326 1.5192 1.54 1.0988 1.0933 1.0979 1.0977 1.0971 1.0942 1.0945 1.0949 1.0929 1.0947 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 7 7 11 1 1 3 2 2 4 3 3 3 5 6 4 4 6 6 15 4 4 5 5 7 1 1 1 6 6 10 3 3 3 18 18 19 6 6 6 21 21 22 7 7 7 24 24 25 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 7 11 12 11 12 12 3 13 13 4 8 8 5 6 14 14 14 15 16 15 16 16 7 9 7 9 9 6 10 17 10 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 112.8247 110.1296 109.9764 109.7879 108.7298 105.0964 122.5221 117.782 119.687 120.4362 122.967 116.591 118.8341 119.0499 115.3397 116.0574 116.8019 117.9103 116.8808 117.5275 119.9661 114.0666 116.3325 117.0473 119.8833 115.7292 115.9661 112.1001 109.8755 107.6179 111.4898 107.8784 107.6823 111.6177 111.1857 111.1582 108.0855 108.1928 106.3877 110.9981 112.2579 110.7542 107.7554 107.481 107.386 110.3117 112.1378 110.9406 107.3495 107.8367 108.0929 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 7 7 11 11 12 12 2 2 2 11 11 11 12 12 12 1 1 13 13 2 2 2 8 8 8 2 2 2 4 4 4 3 3 14 14 3 3 14 14 15 15 16 16 4 4 4 5 5 5 9 9 9 4 4 4 5 5 5 7 7 7 1 1 1 6 6 6 17 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 2 2 2 2 2 2 7 7 7 7 7 7 7 7 7 3 3 3 3 4 4 4 4 4 4 8 8 8 8 8 8 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 3 13 3 13 3 13 6 10 17 6 10 17 6 10 17 4 8 4 8 5 6 14 5 6 14 18 19 20 18 19 20 15 16 15 16 7 9 7 9 7 9 7 9 1 10 17 1 10 17 1 10 17 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 31.3591 -149.7288 -91.6969 87.2152 152.9382 -28.1496 -46.785 77.7719 -165.2484 76.461 -158.9821 -42.0024 -169.0668 -44.5099 72.4698 0.6784 179.7717 -178.2137 0.8796 53.0558 -15.8205 -162.305 -126.0936 165.0301 18.5456 0.2815 121.0602 -120.6151 179.4073 -59.814 58.5108 144.0535 2.2504 -0.3395 -142.1426 -2.8428 -146.0897 143.1636 -0.0833 -146.732 0.1422 -0.4986 146.3756 33.2888 -90.3682 151.5979 -36.2653 -159.9223 82.0438 176.9354 53.2785 -64.7554 -159.5207 79.8134 -40.2107 -91.0972 148.2369 28.2128 57.0984 -63.5676 176.4084 54.9882 174.583 -64.4417 179.8971 -60.5081 60.4672 -61.9513 57.6435 178.6189 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Red2BG is reusing G-inverse. 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. 0.00205 0.00254 0.00274 0.00458 0.00718 0.01067 0.01559 0.01785 0.01946 0.02172 0.02489 0.03142 0.03319 0.03843 0.04129 0.04256 0.04404 0.04516 0.04608 0.04653 0.04738 0.05152 0.05699 0.05862 0.05876 0.06683 0.07750 0.08724 0.08958 0.11203 0.11813 0.11962 0.12136 0.12174 0.13010 0.13393 0.13602 0.14344 0.14459 0.14938 0.15170 0.15441 0.18177 0.19208 0.19287 0.19452 0.21850 0.24417 0.25190 0.26885 0.28259 0.28638 0.30425 0.31086 0.31774 0.32115 0.32513 0.32612 0.33106 0.33309 0.33442 0.33534 0.33585 0.33873 0.34272 0.34360 0.34591 0.34836 0.35290 0.35412 0.36037 0.56822 Angle between quadratic step and forces= 72.41 degrees. 1 2 0.00029755 0.00000004 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 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 2.85023 2.92598 2.07612 2.07140 2.52668 2.05427 2.81629 2.84282 2.88147 2.87230 2.05370 2.84750 2.05085 2.04789 2.89627 2.87084 2.91014 2.07644 2.06601 2.07473 2.07432 2.07315 2.06767 2.06823 2.06900 2.06536 2.06875 1.96916 1.92212 1.91945 1.91616 1.89769 1.83428 2.13841 2.05568 2.08893 2.10201 2.14618 2.03490 2.07405 2.07781 2.01306 2.02558 2.03858 2.05792 2.03995 2.05124 2.09380 1.99084 2.03039 2.04286 2.09236 2.01986 2.02399 1.95652 1.91769 1.87829 1.94586 1.88283 1.87941 1.94810 1.94056 1.94008 1.88645 1.88832 1.85681 1.93728 1.95927 1.93303 1.88069 1.87590 1.87424 1.92530 1.95717 1.93628 1.87360 1.88211 1.88658 0.54732 -2.61326 -1.60041 1.52219 2.66928 -0.49130 -0.81655 1.35738 -2.88413 1.33450 -2.77476 -0.73308 -2.95077 -0.77684 1.26484 0.01184 3.13761 -3.11042 0.01535 0.92600 -0.27612 -2.83276 -2.20075 2.88032 0.32368 0.00491 2.11290 -2.10513 3.13125 -1.04395 1.02121 2.51421 0.03928 -0.00593 -2.48086 -0.04962 -2.54975 2.49868 -0.00145 -2.56096 0.00248 -0.00870 2.55474 0.58100 -1.57722 2.64588 -0.63295 -2.79117 1.43193 3.08811 0.92988 -1.13020 -2.78416 1.39301 -0.70181 -1.58995 2.58722 0.49241 0.99656 -1.10946 3.07891 0.95972 3.04705 -1.12472 3.13980 -1.05607 1.05535 -1.08125 1.00607 3.11749 0.00000 0.00002 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00000 0.00002 0.00001 0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -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 -0.00001 0.00008 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00009 0.00001 0.00007 0.00001 0.00000 0.00006 0.00003 0.00010 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00008 -0.00004 -0.00001 -0.00001 -0.00002 -0.00001 0.00005 -0.00003 -0.00002 0.00002 -0.00001 -0.00000 0.00006 0.00001 -0.00002 -0.00002 -0.00003 -0.00005 0.00005 -0.00004 0.00004 -0.00001 0.00004 0.00004 -0.00004 -0.00003 0.00001 0.00006 0.00001 -0.00004 0.00010 -0.00009 -0.00005 0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00003 -0.00000 0.00006 -0.00000 -0.00002 -0.00001 -0.00013 -0.00018 -0.00014 -0.00019 -0.00011 -0.00015 0.00034 0.00052 0.00045 0.00034 0.00052 0.00045 0.00032 0.00050 0.00042 -0.00007 -0.00000 -0.00002 0.00004 0.00011 0.00007 0.00013 0.00004 0.00001 0.00007 -0.00005 -0.00006 -0.00005 0.00002 -0.00000 0.00001 0.00003 0.00005 0.00001 0.00002 0.00014 0.00000 0.00008 -0.00006 0.00003 -0.00008 0.00000 -0.00011 -0.00035 -0.00048 -0.00042 -0.00032 -0.00045 -0.00039 -0.00020 -0.00033 -0.00027 0.00028 0.00027 0.00026 0.00024 0.00024 0.00023 0.00013 0.00012 0.00011 -0.00006 -0.00008 -0.00005 0.00010 0.00007 0.00010 0.00001 -0.00002 0.00001 -0.00001 0.00008 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00009 0.00001 0.00007 0.00001 0.00000 0.00006 0.00003 0.00010 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00008 -0.00004 -0.00001 -0.00001 -0.00002 -0.00001 0.00005 -0.00003 -0.00002 0.00002 -0.00001 -0.00000 0.00006 0.00001 -0.00002 -0.00002 -0.00003 -0.00005 0.00005 -0.00004 0.00004 -0.00001 0.00004 0.00004 -0.00004 -0.00003 0.00001 0.00006 0.00001 -0.00004 0.00010 -0.00009 -0.00005 0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00001 -0.00002 -0.00001 -0.00003 -0.00000 0.00006 -0.00000 -0.00002 -0.00001 -0.00013 -0.00018 -0.00014 -0.00019 -0.00011 -0.00015 0.00034 0.00052 0.00045 0.00034 0.00052 0.00045 0.00032 0.00050 0.00042 -0.00007 -0.00000 -0.00002 0.00004 0.00011 0.00007 0.00013 0.00004 0.00001 0.00007 -0.00005 -0.00006 -0.00005 0.00002 -0.00000 0.00001 0.00003 0.00005 0.00001 0.00002 0.00014 0.00000 0.00008 -0.00006 0.00003 -0.00008 0.00000 -0.00011 -0.00035 -0.00048 -0.00042 -0.00032 -0.00045 -0.00039 -0.00020 -0.00033 -0.00027 0.00028 0.00027 0.00026 0.00024 0.00024 0.00023 0.00013 0.00012 0.00011 -0.00006 -0.00008 -0.00005 0.00010 0.00007 0.00010 0.00001 -0.00002 0.00001 2.85023 2.92606 2.07612 2.07140 2.52668 2.05427 2.81629 2.84283 2.88148 2.87238 2.05371 2.84757 2.05086 2.04790 2.89634 2.87087 2.91024 2.07643 2.06601 2.07473 2.07433 2.07315 2.06767 2.06823 2.06900 2.06536 2.06874 1.96924 1.92209 1.91944 1.91615 1.89767 1.83427 2.13846 2.05565 2.08892 2.10203 2.14617 2.03489 2.07411 2.07783 2.01304 2.02556 2.03855 2.05788 2.04001 2.05120 2.09385 1.99083 2.03043 2.04290 2.09232 2.01982 2.02400 1.95658 1.91770 1.87825 1.94596 1.88274 1.87936 1.94810 1.94056 1.94010 1.88643 1.88831 1.85681 1.93729 1.95929 1.93304 1.88068 1.87588 1.87423 1.92527 1.95717 1.93634 1.87360 1.88209 1.88657 0.54719 -2.61344 -1.60056 1.52200 2.66917 -0.49146 -0.81621 1.35790 -2.88368 1.33484 -2.77424 -0.73263 -2.95046 -0.77635 1.26526 0.01177 3.13760 -3.11044 0.01540 0.92610 -0.27605 -2.83262 -2.20070 2.88033 0.32375 0.00486 2.11283 -2.10518 3.13126 -1.04395 1.02122 2.51424 0.03932 -0.00592 -2.48084 -0.04947 -2.54974 2.49876 -0.00151 -2.56093 0.00240 -0.00870 2.55463 0.58065 -1.57770 2.64546 -0.63327 -2.79162 1.43154 3.08791 0.92955 -1.13046 -2.78388 1.39328 -0.70154 -1.58970 2.58746 0.49264 0.99668 -1.10935 3.07902 0.95967 3.04696 -1.12478 3.13990 -1.05599 1.05545 -1.08124 1.00605 3.11750 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000005 0.001302 0.000298 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.773505e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 2 7 11 12 3 13 4 8 5 6 14 6 15 16 7 9 10 17 18 19 20 21 22 23 24 25 26 1.5083 1.5484 1.0986 1.0961 1.3371 1.0871 1.4903 1.5044 1.5248 1.52 1.0868 1.5068 1.0853 1.0837 1.5326 1.5192 1.54 1.0988 1.0933 1.0979 1.0977 1.0971 1.0942 1.0945 1.0949 1.0929 1.0947 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 7 7 11 1 1 3 2 2 4 3 3 3 5 6 4 4 6 6 15 4 4 5 5 7 1 1 1 6 6 10 3 3 3 18 18 19 6 6 6 21 21 22 7 7 7 24 24 25 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 7 11 12 11 12 12 3 13 13 4 8 8 5 6 14 14 14 15 16 15 16 16 7 9 7 9 9 6 10 17 10 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 112.8247 110.1296 109.9764 109.7879 108.7298 105.0964 122.5221 117.782 119.687 120.4362 122.967 116.591 118.8341 119.0499 115.3397 116.0574 116.8019 117.9103 116.8808 117.5275 119.9661 114.0666 116.3325 117.0473 119.8833 115.7292 115.9661 112.1001 109.8755 107.6179 111.4898 107.8784 107.6823 111.6177 111.1857 111.1582 108.0855 108.1928 106.3877 110.9981 112.2579 110.7542 107.7554 107.481 107.386 110.3117 112.1378 110.9406 107.3495 107.8367 108.0929 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 7 7 11 11 12 12 2 2 2 11 11 11 12 12 12 1 1 13 13 2 2 2 8 8 8 2 2 2 4 4 4 3 3 14 14 3 3 14 14 15 15 16 16 4 4 4 5 5 5 9 9 9 4 4 4 5 5 5 7 7 7 1 1 1 6 6 6 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 2 2 2 2 2 2 7 7 7 7 7 7 7 7 7 3 3 3 3 4 4 4 4 4 4 8 8 8 8 8 8 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 3 13 3 13 3 13 6 10 17 6 10 17 6 10 17 4 8 4 8 5 6 14 5 6 14 18 19 20 18 19 20 15 16 15 16 7 9 7 9 7 9 7 9 1 10 17 1 10 17 1 10 17 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 31.3591 -149.7288 -91.6969 87.2152 152.9382 -28.1496 -46.785 77.7719 -165.2484 76.461 -158.9821 -42.0024 -169.0668 -44.5099 72.4698 0.6784 179.7717 -178.2137 0.8796 53.0558 -15.8205 -162.305 -126.0936 165.0301 18.5456 0.2815 121.0602 -120.6151 179.4073 -59.814 58.5108 144.0535 2.2504 -0.3395 -142.1426 -2.8428 -146.0897 143.1636 -0.0833 -146.732 0.1422 -0.4986 146.3756 33.2888 -90.3682 151.5979 -36.2653 -159.9223 82.0438 176.9354 53.2785 -64.7554 -159.5207 79.8134 -40.2107 -91.0972 148.2369 28.2128 57.0984 -63.5676 176.4084 54.9882 174.583 -64.4417 179.8971 -60.5081 60.4672 -61.9513 57.6435 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 GTBas3 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 360 552 390 38 38 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 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 360 RedAO= T EigKep= 3.38D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 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= 390 390 390 390 390 MxSgAt= 26 MxSgA2= 26. 1 Closed 1 1 1 -390.697663822812 -390.697663823 1 3.872032569023e+02 -2.014860997291e+03 6.812203280815e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1341863054 LenY= 1341710513 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= 26. Will process 27 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111 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. 7679 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1342177280 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= 920000000 NMat= 78 IRICut= 195 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=2. 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= 78 NMatS0= 78 NMatT0= 0 NMatD0= 78 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 88.60% of shell-pairs survive, threshold= 0.20 IRatSp=89. There are 81 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 78 vectors produced by pass 0 Test12= 1.51D-14 1.23D-09 XBig12= 9.15D+01 5.57D+00. AX will form 78 AO Fock derivatives at one time. 78 vectors produced by pass 1 Test12= 1.51D-14 1.23D-09 XBig12= 1.43D+01 1.31D+00. 78 vectors produced by pass 2 Test12= 1.51D-14 1.23D-09 XBig12= 1.33D-01 4.63D-02. 78 vectors produced by pass 3 Test12= 1.51D-14 1.23D-09 XBig12= 3.28D-04 2.63D-03. 78 vectors produced by pass 4 Test12= 1.51D-14 1.23D-09 XBig12= 4.14D-07 5.68D-05. 43 vectors produced by pass 5 Test12= 1.51D-14 1.23D-09 XBig12= 3.42D-10 1.92D-06. 4 vectors produced by pass 6 Test12= 1.51D-14 1.23D-09 XBig12= 3.14D-13 5.28D-08. 1 vectors produced by pass 7 Test12= 1.51D-14 1.23D-09 XBig12= 3.04D-16 1.45D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 438 with 81 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 102.12 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 109.746 0.635 109.178 2.508 3.599 87.426 146.531 2.997 165.398 5.863 9.453 135.895 (Enter /private/chem/g16E01/g16/l716.exe) PT12736.900S 2019-02-16T11:04:14.000+01:00 -10.19066 -10.18349 -10.18192 -10.17804 -10.17683 -10.17464 -10.17360 -10.17250 -10.16453 -10.16174 -0.87444 -0.78664 -0.77345 -0.71120 -0.69132 -0.64697 -0.61002 -0.59312 -0.54661 -0.49386 -0.46134 -0.45502 -0.44474 -0.41850 -0.41583 -0.40489 -0.39643 -0.39064 -0.37971 -0.36851 -0.35420 -0.34462 -0.34058 -0.32602 -0.30456 -0.29119 -0.26250 -0.21236 0.02915 0.08894 0.10754 0.11873 0.12609 0.12933 0.13956 0.14929 0.15427 0.16524 0.16732 0.17850 0.18351 0.19026 0.19768 0.19968 0.21361 0.22430 0.22882 0.23374 0.25155 0.26734 0.27237 0.27602 0.30022 0.32142 0.37605 0.40508 0.41775 0.45819 0.46329 0.47442 0.48415 0.48827 0.49779 0.50524 0.52256 0.52922 0.54854 0.56722 0.57236 0.57579 0.58303 0.60866 0.62217 0.64446 0.64992 0.66252 0.67360 0.68039 0.68543 0.70231 0.71337 0.72988 0.73256 0.74075 0.74679 0.75141 0.75601 0.76567 0.77324 0.78225 0.78605 0.79452 0.81308 0.81442 0.83643 0.84034 0.85313 0.87747 0.88429 0.88670 0.90457 0.92008 0.95636 0.97280 1.00668 1.02177 1.03661 1.07776 1.10477 1.12573 1.14912 1.16889 1.18550 1.20579 1.21435 1.24137 1.26126 1.28373 1.32053 1.34475 1.35789 1.37518 1.38215 1.40710 1.40876 1.42066 1.43919 1.45036 1.47263 1.48762 1.50171 1.50585 1.52056 1.54071 1.55013 1.56647 1.58455 1.61197 1.62470 1.64004 1.65281 1.67000 1.68325 1.72532 1.73592 1.75585 1.78101 1.79760 1.83335 1.84859 1.87721 1.89743 1.90740 1.93094 1.93509 1.94731 1.97339 1.97856 1.99405 1.99893 2.02536 2.04780 2.09297 2.11386 2.19192 2.22521 2.24064 2.26108 2.27781 2.29858 2.32313 2.33741 2.35110 2.37205 2.39025 2.41177 2.43173 2.44618 2.46080 2.47238 2.51529 2.53748 2.54301 2.58658 2.58947 2.65076 2.68175 2.71050 2.73960 2.75072 2.77312 2.77941 2.78824 2.81084 2.82888 2.82974 2.85097 2.86268 2.87704 2.88873 2.90546 2.92055 2.93074 2.94129 2.95782 2.96562 2.97097 2.98103 2.98580 3.00837 3.02550 3.02958 3.03832 3.06996 3.10510 3.11161 3.13790 3.15530 3.16980 3.18210 3.19901 3.21329 3.22874 3.26156 3.26914 3.29733 3.30963 3.31367 3.32703 3.35145 3.35691 3.38120 3.40477 3.42456 3.43793 3.45118 3.48120 3.49773 3.51317 3.52172 3.54145 3.59097 3.59607 3.60969 3.62998 3.66218 3.66765 3.67266 3.69088 3.69947 3.73132 3.74256 3.77046 3.80607 3.81474 3.83148 3.83550 3.87653 3.91131 3.93849 3.97430 3.97827 4.02059 4.04285 4.06167 4.10061 4.13713 4.16140 4.17946 4.20382 4.24203 4.28136 4.31895 4.35194 4.36368 4.39140 4.40567 4.43984 4.45153 4.46577 4.48069 4.49363 4.51882 4.53360 4.56191 4.58856 4.60030 4.60189 4.63055 4.63981 4.65267 4.67486 4.68911 4.69355 4.71858 4.71958 4.72772 4.74091 4.75048 4.76906 4.79172 4.79214 4.81219 4.82108 4.83821 4.85144 4.86373 4.88373 4.89849 4.91170 4.91712 4.92717 4.96041 4.99617 5.00702 5.02165 5.06546 5.08766 5.12601 5.17725 5.24643 5.27335 5.30122 5.37378 5.40339 5.45384 5.49260 5.50639 5.55446 5.60098 5.63824 5.64114 5.69282 5.74291 5.75624 5.89334 5.96765 6.12630 6.23477 7.16571 10.43889 10.96437 11.37646 11.61925 11.70819 12.07389 12.32304 12.42325 12.51270 12.94400 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.293437 -0.175660 0.353335 -0.150098 -0.349244 0.357232 -0.052426 -0.489960 -0.472097 -0.392512 0.103751 0.093997 0.073065 0.070251 0.102865 0.113801 0.066489 0.117495 0.120386 0.123128 0.111970 0.119152 0.109738 0.105917 0.111216 0.121646 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 C C C C C C C C C C -0.095689 -0.102595 0.353335 -0.079847 -0.132577 0.357232 0.014063 -0.128952 -0.131237 -0.053732 -0.00000 7.38410702e-02 -9.95146180e-02 2.83617639e-04 1.09746353e+02 6.35274657e-01 1.09178336e+02 2.50769427e+00 3.59870860e+00 8.74256880e+01 -4.4733 -4.1274 -0.0007 -0.0007 -0.0004 6.4429 101.7439 139.9283 190.6439 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 101.7433 139.9279 190.6439 204.6395 216.9555 266.3273 279.5512 302.9425 361.4993 382.4357 394.6301 422.1178 494.2055 519.1036 582.8362 639.9402 736.5703 797.3388 817.3082 834.6022 874.9190 895.7275 936.2250 948.8573 977.9893 993.9115 1027.0040 1049.0071 1060.2844 1070.9010 1076.9863 1090.5437 1102.8799 1129.3116 1144.2439 1178.8589 1234.4038 1249.4570 1285.4898 1316.9232 1350.1233 1361.7035 1379.7153 1406.2143 1412.2012 1416.8165 1426.6811 1478.0855 1479.3371 1490.1395 1492.3999 1494.6318 1500.6787 1505.4836 1515.7146 1727.9042 2996.4618 3011.4178 3012.4638 3023.4380 3037.5139 3048.9169 3057.8421 3086.4136 3099.4709 3103.5883 3109.1069 3117.1478 3129.9250 3137.1595 3152.9430 3217.3859 2.8201 2.4816 1.0983 1.1487 1.2010 2.6181 2.3455 1.8489 2.2511 2.4034 2.8980 2.0895 3.7022 3.2149 2.8076 3.6279 2.3672 1.8008 1.4400 2.4037 2.3113 1.7552 1.6052 1.8487 1.6338 1.5438 1.6892 1.6581 1.6343 1.6085 1.5210 1.7274 1.6480 1.4329 2.0399 1.7459 1.3613 1.9592 1.7081 1.8566 1.3932 1.6557 1.5731 1.2547 1.2668 1.2399 2.1994 1.0599 1.1566 1.0595 1.0709 1.0585 1.0846 1.1424 1.0546 6.8251 1.0771 1.0747 1.0385 1.0383 1.0384 1.0892 1.0986 1.0976 1.1013 1.1005 1.0989 1.1001 1.0577 1.0857 1.0897 1.1152 0.0172 0.0286 0.0235 0.0283 0.0333 0.1094 0.1080 0.1000 0.1733 0.2071 0.2659 0.2194 0.5327 0.5104 0.5619 0.8754 0.7567 0.6745 0.5667 0.9865 1.0424 0.8297 0.8290 0.9807 0.9207 0.8985 1.0497 1.0750 1.0825 1.0869 1.0394 1.2104 1.1810 1.0767 1.5736 1.4295 1.2222 1.8021 1.6631 1.8971 1.4963 1.8088 1.7644 1.4619 1.4885 1.4665 2.6376 1.3644 1.4913 1.3862 1.4053 1.3932 1.4391 1.5256 1.4275 12.0061 5.6982 5.7422 5.5525 5.5920 5.6448 5.9655 6.0521 6.1605 6.2333 6.2456 6.2585 6.2982 6.1048 6.2953 6.3828 6.8016 0.1301 0.3219 0.4541 0.1768 0.0423 1.0060 0.3918 0.2682 0.3433 0.4058 0.2306 0.2710 1.6399 0.0178 1.4807 0.2351 1.7229 1.9570 7.3170 0.9659 7.4295 1.2710 1.2494 2.8621 1.7333 2.3823 2.9527 1.0216 3.8094 0.4416 6.0072 2.2795 1.1134 1.3417 6.8881 6.2096 2.3423 1.3683 0.5226 0.0678 6.6078 1.8882 1.2822 6.1205 0.6066 2.3758 7.4570 6.2655 0.4952 3.9284 5.2846 4.9950 1.2291 7.7431 0.4900 4.0748 13.8398 65.3070 28.3135 37.0386 15.5666 35.5126 20.6950 20.6583 36.4595 21.1849 20.3996 29.2587 18.9070 23.7905 24.8949 10.2455 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.04 0.04 -0.10 -0.03 0.01 -0.09 -0.04 -0.02 -0.01 -0.02 0.01 -0.03 -0.01 -0.01 -0.03 -0.02 0.01 -0.03 0.01 0.00 0.04 -0.09 -0.10 0.16 -0.04 0.02 -0.07 0.26 0.05 0.12 -0.10 0.13 -0.09 -0.04 0.04 -0.17 -0.05 -0.01 -0.07 -0.00 0.01 -0.04 -0.00 -0.01 -0.04 -0.00 -0.01 -0.03 -0.08 -0.06 0.17 -0.11 -0.12 0.14 -0.20 -0.22 0.18 -0.02 -0.05 0.30 -0.02 0.03 -0.10 -0.08 0.02 -0.07 -0.03 0.02 -0.06 0.30 0.03 0.20 0.30 0.01 0.24 0.36 0.13 -0.02 0.02 0.01 -0.01 0.01 -0.01 0.03 0.01 0.02 -0.05 0.03 0.03 -0.17 -0.10 -0.04 -0.12 0.01 0.01 -0.01 0.01 0.01 -0.02 -0.07 0.00 0.14 0.12 -0.00 0.18 -0.03 -0.02 -0.04 0.04 0.02 -0.01 0.01 0.01 -0.02 -0.03 -0.05 0.18 0.05 0.08 -0.24 -0.09 -0.04 -0.13 -0.22 -0.09 -0.14 0.03 0.02 -0.04 -0.11 -0.03 0.33 -0.24 0.08 0.09 0.08 -0.06 0.16 -0.00 -0.08 0.42 0.39 0.06 0.23 0.06 0.01 0.05 -0.06 -0.01 -0.08 -0.04 -0.01 -0.06 -0.05 -0.06 -0.02 -0.00 0.02 -0.02 -0.02 -0.01 0.04 -0.01 -0.01 0.03 -0.00 0.00 0.01 -0.00 0.02 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.03 -0.02 -0.01 -0.01 0.04 -0.02 -0.01 0.03 0.08 -0.01 -0.02 0.02 -0.08 -0.04 -0.03 0.08 -0.00 -0.00 0.01 0.00 0.02 0.03 -0.01 0.03 -0.00 -0.01 0.00 0.00 -0.17 -0.17 0.44 -0.03 0.53 -0.21 0.26 -0.37 -0.39 0.00 0.04 -0.05 -0.07 -0.05 -0.03 0.00 -0.01 0.06 0.07 -0.02 -0.02 0.04 -0.04 0.02 0.06 -0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.04 0.03 -0.02 0.08 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.03 0.01 -0.00 0.04 0.04 -0.01 0.05 -0.02 0.02 -0.04 -0.02 -0.00 -0.02 0.00 -0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 0.03 -0.00 -0.02 -0.15 -0.00 0.03 -0.05 0.14 0.48 -0.01 0.19 -0.31 -0.24 -0.28 -0.25 0.58 0.19 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.03 -0.03 -0.03 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.03 0.01 0.04 0.07 -0.00 -0.00 -0.07 -0.00 -0.00 0.03 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.03 0.02 0.02 -0.06 -0.04 -0.04 -0.03 -0.07 -0.06 -0.02 -0.00 -0.01 0.02 0.02 0.06 -0.01 -0.04 -0.02 0.02 -0.04 0.07 0.05 0.14 0.54 -0.32 -0.34 -0.25 -0.14 0.37 0.01 0.43 0.03 -0.07 -0.05 -0.02 -0.12 0.01 -0.01 -0.08 0.01 -0.01 -0.01 -0.05 -0.06 -0.12 0.15 -0.07 -0.09 0.08 -0.04 -0.08 0.03 0.06 0.03 0.00 -0.02 -0.00 -0.07 -0.02 -0.00 -0.08 -0.09 0.13 -0.07 0.09 0.04 0.06 0.12 0.03 -0.04 0.14 0.12 -0.02 -0.10 -0.01 -0.19 -0.08 -0.13 0.20 -0.06 -0.12 0.07 0.13 0.06 0.05 0.07 0.06 -0.01 -0.04 -0.04 -0.05 0.12 0.31 -0.22 -0.00 0.07 -0.04 -0.39 0.26 -0.11 0.00 0.12 0.20 0.22 0.03 0.07 0.16 0.03 0.05 0.14 0.02 0.01 0.16 0.02 0.06 0.20 0.07 -0.15 0.01 0.07 0.02 -0.06 -0.02 0.20 0.01 0.03 0.04 0.03 0.08 -0.08 -0.07 0.02 -0.05 -0.00 0.05 0.01 0.01 0.04 -0.00 0.10 -0.12 -0.05 -0.09 -0.05 -0.01 0.05 -0.04 -0.04 0.15 0.22 0.04 -0.05 0.06 -0.15 -0.11 -0.08 0.36 0.06 0.13 -0.15 -0.07 0.03 -0.04 -0.16 0.01 -0.08 0.01 0.06 -0.01 0.06 -0.15 -0.37 0.31 -0.35 0.05 0.05 -0.02 0.06 -0.04 -0.13 -0.08 -0.13 -0.11 -0.03 -0.19 -0.03 0.05 0.13 -0.05 -0.11 0.03 -0.14 0.00 0.05 -0.04 -0.04 0.02 -0.11 0.06 0.01 -0.03 0.01 -0.00 -0.00 -0.05 0.00 0.01 -0.03 -0.03 0.14 0.01 0.01 0.01 -0.05 0.03 0.01 -0.06 -0.02 -0.03 0.01 -0.02 -0.10 0.04 0.02 0.12 -0.01 0.04 -0.30 0.03 0.01 -0.08 0.25 0.03 -0.01 0.07 -0.00 -0.05 0.04 -0.06 0.16 0.15 -0.05 0.24 -0.06 0.03 -0.02 -0.06 -0.04 -0.05 0.04 -0.08 -0.05 0.01 0.03 -0.03 0.05 0.02 0.07 -0.10 -0.15 -0.35 -0.05 0.03 -0.11 0.33 -0.28 0.16 0.04 0.19 0.36 0.12 0.16 -0.07 -0.13 -0.03 0.08 -0.06 0.03 -0.11 -0.01 0.08 -0.10 -0.05 0.10 -0.06 -0.05 0.01 -0.03 0.01 0.05 0.03 0.08 0.01 0.06 0.05 -0.02 0.11 0.02 -0.09 -0.09 -0.01 -0.06 0.06 0.04 -0.04 0.32 -0.02 -0.11 0.07 -0.30 -0.05 -0.19 0.02 0.23 -0.03 -0.12 0.08 0.00 0.07 -0.14 -0.03 -0.05 -0.00 0.12 0.06 0.15 0.26 0.14 -0.19 0.15 -0.01 -0.16 0.17 0.01 0.02 -0.21 -0.18 -0.23 -0.15 -0.05 -0.23 -0.06 0.06 -0.19 0.08 0.02 -0.03 0.16 0.02 -0.07 -0.05 0.07 0.06 0.09 -0.07 0.05 0.06 -0.01 0.01 0.02 0.10 -0.07 -0.06 0.03 -0.04 -0.16 -0.02 -0.08 -0.05 -0.02 -0.02 -0.03 -0.06 0.09 -0.03 0.01 -0.01 -0.03 0.06 -0.03 0.16 0.00 0.08 0.22 -0.05 0.10 0.07 -0.21 0.07 0.07 -0.09 -0.15 0.00 -0.03 0.03 -0.17 -0.16 -0.04 -0.27 0.05 0.01 -0.09 -0.08 0.03 -0.09 -0.09 0.25 -0.03 0.02 0.09 -0.07 -0.05 -0.04 0.15 0.06 -0.03 -0.13 0.03 0.12 -0.05 0.20 -0.29 0.18 0.17 0.11 0.43 0.02 0.06 0.09 -0.09 0.12 -0.03 0.00 0.13 -0.10 0.01 0.05 -0.07 -0.04 -0.02 -0.09 -0.01 -0.19 0.05 0.08 -0.09 0.00 0.08 0.05 -0.02 -0.03 0.02 -0.03 0.00 -0.07 0.20 -0.03 0.02 0.03 -0.04 0.17 -0.02 0.00 0.05 -0.02 -0.02 0.13 -0.10 0.05 0.05 -0.11 -0.01 -0.17 0.09 0.25 -0.37 0.14 -0.05 0.11 -0.09 -0.09 0.03 -0.01 0.03 -0.03 -0.03 -0.00 0.03 -0.02 0.02 -0.07 0.14 -0.02 -0.12 0.50 0.05 0.01 0.17 -0.34 0.02 0.02 0.04 0.01 0.08 -0.10 -0.00 0.09 -0.02 0.02 0.05 -0.06 -0.02 0.01 0.05 0.01 0.04 -0.04 -0.02 0.01 -0.02 -0.03 0.11 0.02 0.03 -0.10 -0.07 -0.01 -0.12 0.05 0.01 -0.01 -0.00 0.11 -0.02 -0.07 -0.08 -0.02 0.11 0.01 0.41 -0.00 0.08 0.00 -0.40 -0.04 -0.01 0.15 -0.11 -0.08 0.12 -0.22 0.10 0.20 0.09 0.35 -0.08 -0.02 -0.16 0.08 -0.02 -0.04 -0.02 0.01 -0.05 0.01 0.06 -0.01 0.04 0.08 0.04 -0.03 0.13 0.05 -0.05 0.20 -0.05 -0.14 -0.23 -0.00 0.17 -0.05 0.13 0.04 -0.10 -0.08 0.15 0.13 -0.05 -0.09 0.00 -0.02 -0.01 -0.21 -0.02 0.05 -0.00 0.13 0.03 -0.00 -0.04 -0.00 0.10 0.04 0.11 0.23 0.00 0.06 -0.22 -0.08 -0.11 0.02 0.00 0.01 -0.02 0.04 0.01 0.10 0.05 -0.07 0.08 -0.06 -0.17 0.13 0.12 0.08 0.12 0.17 -0.05 -0.06 -0.08 -0.12 0.02 -0.13 0.07 0.22 0.09 0.05 -0.24 -0.10 -0.22 -0.05 -0.05 -0.10 -0.29 -0.11 -0.20 0.08 -0.01 -0.09 -0.08 0.02 0.00 0.02 0.00 0.02 -0.19 0.06 0.00 -0.06 0.19 -0.23 -0.18 -0.07 0.22 -0.09 -0.06 -0.06 -0.14 0.04 0.05 0.03 0.07 -0.06 0.07 0.07 0.06 -0.11 -0.09 0.11 0.12 -0.12 0.16 -0.04 -0.02 -0.10 0.02 0.04 0.02 0.11 -0.05 -0.06 0.05 0.08 -0.10 -0.00 -0.16 -0.07 -0.05 -0.05 0.05 -0.18 -0.00 0.16 0.04 0.07 0.07 -0.34 -0.18 0.03 -0.08 -0.12 0.14 -0.08 0.21 -0.10 0.03 0.05 0.06 -0.07 0.02 0.01 0.05 0.06 0.07 0.20 -0.11 -0.22 -0.11 0.18 -0.03 0.14 -0.06 -0.25 0.10 0.06 0.12 0.08 0.13 -0.08 0.12 0.27 -0.22 -0.05 -0.02 -0.02 -0.00 0.03 -0.10 -0.05 -0.10 0.28 0.03 -0.00 -0.06 -0.14 0.06 -0.06 0.06 0.00 -0.01 0.01 0.03 0.02 0.07 0.03 0.06 0.08 -0.04 -0.06 -0.00 -0.01 0.01 -0.14 -0.19 -0.05 -0.02 -0.01 0.16 0.01 0.04 -0.29 -0.00 0.06 -0.13 -0.20 0.10 0.19 -0.31 0.21 -0.23 -0.03 0.08 0.06 0.17 0.11 -0.08 0.38 0.16 0.05 -0.20 -0.01 -0.20 0.10 -0.07 -0.09 0.05 -0.02 -0.06 0.05 -0.03 -0.08 0.02 -0.00 -0.06 -0.03 -0.05 -0.01 -0.03 -0.04 0.05 0.01 0.21 0.20 0.08 -0.01 0.02 -0.02 -0.01 -0.05 -0.09 -0.13 0.07 -0.10 -0.05 -0.01 0.04 -0.04 -0.02 0.01 0.18 0.06 -0.11 -0.05 -0.06 0.15 -0.10 -0.09 0.03 0.05 -0.07 0.01 0.19 0.20 -0.12 0.22 0.17 0.10 0.02 -0.21 -0.14 -0.19 0.14 -0.17 -0.05 0.07 -0.06 0.02 -0.03 0.08 0.13 -0.03 -0.17 -0.11 -0.02 -0.18 -0.09 -0.05 -0.01 -0.06 0.02 0.16 -0.14 -0.11 0.16 -0.11 -0.10 0.12 -0.10 -0.10 0.13 0.06 -0.33 0.00 -0.15 0.05 0.05 -0.08 -0.06 -0.06 -0.07 -0.07 -0.04 -0.09 0.01 0.04 -0.02 -0.05 -0.10 0.04 0.11 -0.09 0.00 -0.04 -0.02 0.04 -0.08 0.15 0.08 0.07 0.12 0.04 0.05 -0.00 0.00 -0.01 0.04 0.02 -0.01 -0.07 -0.07 -0.07 -0.22 -0.05 -0.04 -0.07 -0.12 0.05 -0.20 -0.06 0.25 -0.25 -0.10 -0.30 0.18 -0.11 0.14 0.05 0.05 0.19 0.17 0.08 0.12 0.02 0.03 0.04 0.14 0.06 0.10 -0.07 0.07 0.09 0.13 -0.09 -0.02 0.03 -0.00 0.06 -0.07 0.06 -0.27 -0.07 0.00 -0.22 -0.17 -0.20 0.27 0.02 -0.06 0.03 0.09 -0.09 0.02 -0.00 -0.04 0.01 0.01 0.13 0.06 -0.06 0.03 -0.04 0.04 0.05 -0.00 -0.11 -0.01 -0.03 0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.05 -0.02 0.02 0.12 0.22 0.07 -0.04 -0.09 -0.28 0.28 0.09 -0.42 0.01 0.07 0.14 -0.25 -0.08 -0.31 0.12 -0.10 0.12 -0.05 0.09 -0.14 0.04 0.02 0.07 -0.08 -0.01 -0.01 -0.01 0.02 0.03 0.03 -0.07 -0.01 0.05 -0.09 -0.03 -0.09 0.03 0.07 0.09 -0.05 0.14 0.04 -0.10 0.28 0.15 0.11 -0.23 0.05 0.02 -0.07 0.10 0.00 -0.07 0.00 -0.01 -0.00 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.00 0.02 -0.01 -0.07 0.06 -0.01 -0.02 -0.01 0.01 0.03 -0.01 -0.02 -0.04 -0.02 0.06 -0.05 -0.21 -0.10 0.06 0.04 0.16 -0.14 -0.24 0.76 -0.02 -0.07 0.12 -0.09 -0.04 -0.14 0.08 -0.08 0.11 -0.06 0.09 -0.03 0.01 0.01 -0.10 0.13 0.05 0.00 -0.12 -0.04 -0.11 0.04 -0.06 -0.02 0.05 -0.06 -0.03 -0.04 0.00 0.01 0.04 -0.03 0.04 -0.01 -0.11 0.21 0.04 0.01 -0.04 -0.03 0.08 0.11 0.01 -0.03 -0.07 0.02 -0.07 0.03 0.13 0.16 -0.03 -0.00 -0.05 0.11 -0.08 -0.07 -0.10 0.03 -0.05 0.03 -0.02 -0.04 -0.00 -0.06 0.00 -0.02 0.03 0.02 -0.08 -0.18 0.12 0.11 -0.02 0.08 0.06 -0.13 -0.17 0.12 0.16 0.11 0.03 -0.40 -0.18 0.05 0.27 0.14 0.10 0.10 -0.23 -0.04 0.14 0.12 0.02 -0.03 0.08 -0.04 -0.24 0.00 -0.11 -0.22 0.22 0.22 0.15 -0.02 0.01 0.14 -0.04 0.04 -0.00 0.03 -0.07 0.03 0.07 -0.13 0.01 0.03 -0.06 0.05 -0.02 -0.09 -0.03 0.01 0.07 0.01 0.03 -0.02 0.10 0.02 0.06 -0.06 -0.10 0.14 -0.08 0.07 -0.13 -0.02 0.06 -0.04 -0.02 0.00 -0.03 0.04 -0.02 -0.09 -0.02 -0.01 0.09 0.18 -0.20 -0.12 0.00 -0.00 0.07 0.10 0.14 -0.19 0.25 0.20 -0.21 0.16 0.00 0.33 -0.35 -0.06 -0.00 -0.07 0.01 0.04 -0.04 -0.02 0.03 -0.12 -0.04 -0.02 0.04 0.02 0.06 -0.09 0.03 0.14 0.34 -0.23 -0.11 0.04 -0.02 0.08 -0.01 -0.00 -0.07 -0.06 -0.12 0.13 -0.04 -0.12 0.13 0.05 0.15 -0.01 -0.10 0.01 0.04 0.05 -0.05 -0.00 0.03 -0.01 0.02 -0.03 0.05 -0.03 0.02 0.02 -0.01 0.03 -0.04 -0.08 -0.01 -0.05 -0.02 0.00 0.02 0.01 0.00 -0.07 0.07 0.18 -0.29 -0.08 0.11 0.18 0.37 -0.15 -0.05 -0.27 -0.05 -0.15 0.22 -0.10 -0.02 -0.31 -0.02 -0.16 0.10 0.04 -0.12 -0.07 0.15 0.10 0.10 -0.18 0.03 -0.06 -0.18 0.03 -0.03 0.04 -0.06 -0.05 -0.05 -0.01 -0.00 -0.09 0.04 0.02 -0.13 -0.08 0.30 0.02 0.14 -0.10 -0.07 0.03 0.12 -0.02 -0.03 0.09 -0.03 0.03 -0.07 0.00 -0.00 -0.00 0.01 -0.01 0.06 -0.06 0.05 0.03 -0.02 0.10 -0.03 0.02 -0.09 0.01 0.01 -0.01 0.00 0.07 -0.01 -0.03 0.02 -0.00 -0.05 -0.14 0.27 0.14 0.10 -0.08 -0.22 -0.14 -0.07 0.24 0.04 0.03 0.01 0.42 0.13 -0.23 -0.41 -0.36 0.14 0.08 -0.22 -0.04 0.07 0.05 0.02 -0.02 0.03 -0.01 -0.06 0.01 -0.02 0.11 -0.12 -0.08 0.05 -0.09 -0.06 -0.07 0.02 0.00 -0.02 -0.01 0.04 0.03 0.07 -0.10 0.01 0.03 -0.04 0.02 -0.02 0.02 -0.05 0.06 -0.03 0.02 0.01 -0.01 0.01 -0.08 0.13 -0.03 -0.08 -0.10 0.09 0.04 -0.03 0.02 -0.04 0.01 -0.01 -0.01 -0.02 -0.04 0.10 -0.00 -0.01 -0.01 -0.02 -0.02 0.09 0.04 0.16 -0.05 -0.06 -0.13 -0.01 0.18 0.17 0.04 -0.05 -0.29 -0.07 0.30 0.11 0.32 -0.30 0.07 0.08 -0.08 0.03 0.03 0.04 -0.11 -0.00 -0.03 -0.03 0.02 0.01 -0.06 -0.10 0.09 0.15 -0.24 -0.07 -0.33 0.17 0.29 0.01 -0.03 0.13 0.04 0.04 0.02 0.05 0.09 -0.11 -0.04 0.07 0.02 0.04 -0.08 -0.02 -0.04 -0.02 -0.03 -0.11 0.06 0.05 0.01 -0.00 -0.03 -0.02 0.02 0.05 0.05 -0.01 -0.03 0.04 0.03 0.01 0.02 -0.05 -0.04 -0.02 -0.08 0.00 -0.05 -0.07 -0.01 -0.24 0.11 0.13 -0.04 -0.16 0.05 0.15 0.33 -0.35 0.19 0.08 0.15 0.03 0.09 -0.07 0.14 0.12 -0.18 -0.02 -0.02 0.02 0.03 -0.03 0.03 0.16 0.01 0.07 -0.05 0.09 0.06 0.13 -0.01 -0.01 0.18 -0.08 -0.03 -0.07 -0.12 0.45 0.09 0.18 -0.04 0.03 0.19 -0.11 0.08 -0.03 0.02 -0.10 0.04 -0.04 0.01 -0.03 -0.01 -0.04 0.01 0.02 0.01 0.01 -0.03 -0.01 -0.03 0.02 0.04 0.06 -0.01 0.05 -0.06 -0.01 -0.04 -0.05 0.01 -0.06 0.03 0.04 0.10 0.09 0.04 0.19 -0.05 -0.10 -0.13 0.01 0.04 -0.06 0.10 -0.09 0.11 0.05 0.02 -0.04 0.02 -0.06 0.15 0.14 -0.16 0.33 0.19 0.19 -0.23 0.06 -0.09 -0.19 0.07 0.00 -0.09 0.20 0.05 -0.03 0.18 0.07 0.29 -0.12 -0.16 0.16 0.01 -0.13 -0.02 -0.21 0.36 0.11 -0.03 -0.13 0.01 -0.01 0.04 -0.08 -0.01 -0.04 -0.05 0.00 -0.02 0.05 -0.05 -0.06 0.01 -0.01 0.06 0.01 0.00 -0.03 0.11 0.05 -0.05 -0.01 0.09 0.05 -0.02 0.02 -0.00 -0.06 -0.03 0.05 0.00 0.11 0.06 -0.11 -0.01 -0.10 -0.11 -0.04 -0.07 -0.00 -0.26 0.22 -0.20 -0.10 -0.08 -0.10 -0.11 0.07 0.31 0.06 -0.31 -0.28 -0.16 -0.19 0.34 -0.03 0.13 0.23 -0.06 -0.01 -0.06 0.03 0.06 0.03 -0.02 -0.01 -0.02 0.02 0.03 0.09 -0.06 0.15 0.03 -0.08 0.28 0.09 0.06 -0.14 0.07 0.01 -0.00 -0.07 -0.04 -0.01 -0.05 -0.02 -0.05 -0.06 0.02 -0.09 -0.05 -0.04 0.07 -0.05 0.01 0.03 0.00 -0.01 0.03 0.05 -0.01 0.05 0.08 0.05 -0.00 -0.02 0.02 -0.01 0.03 -0.03 -0.01 0.10 0.01 0.05 -0.06 -0.03 -0.15 -0.08 0.04 -0.13 0.25 0.05 0.15 0.52 0.14 0.20 0.09 -0.11 -0.06 0.16 0.09 0.01 0.14 0.10 0.03 -0.08 -0.01 -0.06 0.21 -0.31 -0.15 -0.02 -0.20 -0.09 -0.31 0.13 0.12 0.04 0.02 -0.06 -0.00 -0.05 0.08 0.04 0.01 -0.08 0.02 -0.00 0.00 -0.00 -0.01 -0.03 -0.05 -0.02 0.03 -0.08 0.03 -0.07 0.15 0.00 0.07 -0.03 0.00 0.02 -0.01 0.02 0.01 0.06 -0.01 -0.04 0.05 0.03 -0.02 0.01 -0.01 -0.01 0.08 0.00 0.00 -0.04 0.00 -0.01 -0.01 -0.01 0.10 -0.25 0.01 -0.00 -0.49 -0.19 0.06 -0.50 -0.10 -0.15 0.01 -0.05 0.00 0.13 0.06 0.19 -0.25 -0.07 -0.06 0.10 0.10 0.16 0.08 -0.16 -0.03 0.03 -0.14 -0.06 -0.20 0.08 0.11 -0.03 -0.01 0.05 0.01 0.04 -0.04 -0.01 0.03 0.00 0.02 -0.00 -0.01 -0.02 -0.01 0.04 0.04 0.03 -0.12 -0.06 -0.02 0.02 0.07 0.03 0.00 -0.01 0.01 0.04 -0.02 -0.01 0.05 -0.03 -0.04 0.12 -0.01 -0.01 -0.04 0.00 0.00 -0.03 0.02 -0.02 -0.01 0.12 -0.01 0.01 0.04 0.05 -0.19 0.10 0.05 -0.09 -0.23 -0.07 -0.06 -0.30 -0.10 -0.08 -0.06 0.06 0.08 0.12 0.09 -0.22 0.45 0.26 0.07 -0.37 -0.16 -0.35 -0.09 0.06 0.11 0.15 -0.07 -0.03 0.06 -0.02 0.06 -0.00 -0.00 0.02 0.02 0.04 -0.04 0.01 0.05 -0.05 0.08 0.04 -0.00 -0.06 -0.04 -0.03 -0.03 -0.06 0.01 -0.01 -0.01 0.05 0.02 0.05 -0.02 -0.01 0.01 0.03 -0.06 -0.05 0.04 0.01 0.09 -0.01 0.01 -0.03 -0.01 0.01 0.06 -0.02 0.09 -0.08 -0.02 0.38 0.01 0.09 -0.22 -0.23 -0.11 0.40 0.12 -0.20 -0.21 -0.04 -0.17 0.03 -0.03 0.03 -0.09 -0.16 0.10 -0.24 -0.14 -0.04 0.05 -0.14 0.07 0.34 0.01 0.13 -0.01 0.03 0.01 0.02 0.03 0.01 0.08 -0.04 -0.03 0.05 0.07 -0.25 -0.04 -0.09 0.03 0.01 -0.08 0.01 0.02 -0.01 -0.05 -0.01 0.02 0.04 0.00 -0.01 0.04 0.01 -0.04 -0.08 -0.03 0.04 0.02 -0.00 0.01 0.07 0.00 0.00 0.14 0.01 0.00 -0.04 -0.03 -0.01 -0.10 -0.03 -0.02 -0.09 -0.15 -0.07 -0.06 0.20 -0.02 0.07 0.04 0.08 -0.01 -0.05 -0.24 0.19 0.16 0.06 -0.12 0.08 -0.08 0.14 -0.02 0.26 0.11 -0.01 -0.02 0.08 -0.17 -0.08 -0.03 0.08 0.06 0.10 -0.24 0.13 0.26 0.37 -0.18 -0.09 0.11 -0.03 0.15 0.03 -0.05 0.20 0.08 0.12 -0.00 0.08 0.21 -0.25 0.03 -0.05 0.09 -0.02 0.04 -0.07 -0.02 -0.02 0.00 -0.01 -0.04 -0.05 -0.02 0.00 0.02 0.00 0.01 0.05 -0.06 0.08 -0.08 0.01 -0.00 0.01 -0.01 -0.01 -0.04 0.08 -0.05 0.04 0.50 0.18 0.13 0.04 -0.09 -0.22 -0.08 -0.01 0.07 0.12 -0.06 -0.06 -0.05 -0.02 -0.05 0.25 0.03 0.13 -0.21 0.24 0.08 0.04 0.02 0.01 0.03 0.02 0.01 -0.01 -0.00 -0.01 -0.10 0.06 0.10 0.16 -0.06 -0.03 0.09 -0.04 0.05 -0.19 -0.02 0.12 -0.01 0.15 -0.31 -0.16 -0.05 0.31 -0.04 -0.02 -0.02 0.01 0.06 0.03 -0.00 0.02 0.03 -0.01 -0.12 -0.01 0.00 0.06 0.04 -0.05 0.02 -0.03 0.04 0.01 0.01 0.01 -0.03 -0.01 0.03 -0.01 0.02 -0.02 -0.01 -0.00 -0.16 0.03 -0.01 -0.14 -0.01 -0.02 0.18 0.25 0.09 0.48 0.08 -0.38 -0.37 -0.10 -0.26 0.26 -0.06 0.23 0.09 -0.02 -0.06 0.10 0.05 0.07 -0.11 0.01 -0.04 -0.07 0.03 0.01 0.09 -0.06 -0.10 -0.08 0.04 0.01 0.00 -0.01 -0.07 0.02 -0.02 0.07 0.02 0.01 0.05 0.02 0.04 -0.06 0.07 -0.03 -0.00 -0.04 -0.01 -0.02 -0.03 -0.01 -0.03 0.05 0.02 0.03 0.01 -0.05 -0.01 -0.08 0.06 -0.13 -0.04 0.08 0.13 0.01 0.02 0.01 0.03 -0.06 0.09 -0.00 -0.08 -0.07 0.13 -0.00 -0.00 0.18 -0.04 -0.01 -0.01 0.02 0.00 0.01 -0.10 0.19 -0.05 -0.04 0.10 -0.01 0.10 -0.12 -0.09 0.20 0.17 -0.00 0.00 -0.01 0.07 0.00 0.02 0.05 -0.00 0.01 0.21 -0.02 -0.26 -0.34 0.24 0.11 0.08 -0.08 -0.27 -0.08 -0.10 0.34 0.11 0.23 -0.15 0.01 0.25 -0.15 -0.02 -0.05 -0.00 0.01 0.01 0.01 0.19 -0.00 0.06 -0.06 0.00 -0.02 0.00 0.02 0.06 -0.01 -0.00 -0.04 0.05 0.02 0.00 -0.09 0.00 -0.03 0.01 0.01 0.02 -0.01 -0.02 -0.00 -0.01 0.05 0.01 0.26 -0.09 -0.08 -0.31 -0.36 -0.20 -0.37 0.29 -0.33 -0.07 -0.02 -0.03 0.08 -0.02 0.12 -0.03 0.29 0.04 -0.24 -0.13 -0.13 -0.07 -0.06 -0.01 -0.04 -0.04 -0.06 0.05 -0.04 -0.05 -0.06 -0.01 -0.00 -0.07 0.03 -0.01 0.01 -0.03 0.07 0.02 0.03 0.02 0.01 0.04 -0.03 0.01 -0.03 -0.02 -0.03 0.04 -0.04 0.09 0.00 0.03 0.02 0.00 0.02 0.01 0.01 -0.04 -0.06 0.00 0.06 0.00 0.01 0.07 -0.04 0.00 -0.00 0.02 -0.01 -0.02 -0.03 0.01 -0.03 0.58 -0.07 -0.03 -0.58 0.05 -0.03 -0.07 -0.01 0.03 -0.03 0.02 0.02 0.01 0.02 -0.04 0.05 0.07 -0.07 0.06 -0.43 0.09 -0.09 -0.05 -0.06 -0.02 -0.01 -0.00 -0.04 -0.02 -0.04 0.01 -0.04 -0.00 0.05 -0.04 -0.02 0.03 -0.01 0.01 0.05 -0.01 0.01 0.02 -0.01 0.08 0.06 0.06 -0.15 -0.01 0.05 0.02 0.01 -0.01 -0.04 -0.09 0.00 -0.02 0.01 -0.02 0.02 -0.03 0.05 0.05 0.12 -0.14 -0.13 0.03 -0.04 0.06 0.03 0.00 0.01 -0.04 0.06 0.03 -0.04 0.00 -0.02 0.50 -0.08 0.00 -0.20 0.08 0.04 0.02 0.01 0.05 -0.03 0.19 -0.26 0.13 0.06 -0.12 -0.13 -0.20 0.17 -0.21 0.35 0.28 0.08 0.05 0.04 0.04 0.02 0.01 0.03 0.01 0.02 -0.06 0.03 0.07 -0.10 0.02 0.01 -0.19 0.09 0.09 0.09 -0.01 -0.03 0.01 0.01 0.05 0.08 0.06 -0.16 -0.11 0.01 0.01 0.08 0.04 0.02 -0.02 0.03 0.01 -0.05 0.03 -0.03 0.01 -0.04 -0.01 -0.08 0.06 0.01 0.10 -0.10 -0.04 0.01 -0.03 -0.01 0.03 -0.01 0.01 -0.04 0.03 0.01 0.34 -0.04 0.00 0.15 -0.03 -0.03 -0.19 -0.26 -0.12 0.43 -0.30 0.31 -0.00 -0.02 0.08 -0.01 0.06 -0.08 -0.19 0.32 0.24 0.06 0.03 0.04 -0.03 0.03 -0.02 -0.05 0.02 0.01 0.07 -0.05 -0.07 -0.01 -0.03 -0.01 0.02 -0.01 -0.05 0.12 0.01 -0.06 -0.03 -0.08 0.12 0.08 -0.07 -0.11 -0.08 0.04 0.00 0.01 -0.02 -0.01 -0.02 -0.03 -0.03 -0.00 -0.05 -0.04 -0.01 -0.04 0.05 0.11 0.19 -0.00 0.03 -0.05 -0.02 0.01 0.00 0.01 -0.04 -0.05 0.00 -0.04 0.00 -0.01 0.25 -0.06 -0.01 0.26 -0.01 0.00 0.17 0.17 0.13 -0.47 0.09 -0.15 -0.20 -0.07 0.18 0.17 -0.02 0.13 -0.10 -0.38 0.23 0.03 0.02 0.00 0.04 0.00 0.01 0.03 -0.01 0.00 -0.03 0.17 -0.05 0.10 0.16 0.07 0.15 -0.08 -0.06 0.08 -0.02 0.02 0.00 -0.02 0.09 0.04 -0.01 -0.10 0.08 -0.04 0.01 0.03 0.01 0.02 -0.05 0.07 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.01 0.07 -0.00 -0.01 0.01 0.07 -0.05 0.02 -0.02 -0.00 -0.03 0.00 0.00 -0.03 -0.02 -0.03 -0.33 0.08 0.02 -0.21 -0.00 -0.03 -0.32 -0.37 -0.24 0.11 -0.04 -0.00 -0.02 0.00 0.09 0.00 -0.09 0.07 -0.26 -0.39 0.42 0.05 0.01 0.02 -0.05 0.06 -0.04 -0.07 0.05 0.03 -0.02 0.02 0.00 0.03 0.04 0.02 0.04 -0.01 0.02 0.01 -0.05 0.17 0.06 0.01 0.13 -0.04 0.05 -0.03 -0.03 0.01 0.03 -0.04 -0.02 -0.01 0.04 -0.07 -0.01 0.02 0.03 0.03 0.00 0.01 -0.03 -0.08 -0.09 0.04 0.09 0.08 -0.10 -0.02 0.03 0.00 0.02 0.04 -0.01 -0.05 -0.02 -0.01 -0.09 0.12 0.05 0.31 -0.02 0.05 0.28 0.34 0.20 -0.00 0.07 -0.01 0.08 0.02 -0.15 -0.03 0.10 -0.11 -0.34 -0.17 0.52 -0.04 -0.00 -0.01 0.05 -0.08 0.04 0.08 -0.05 -0.04 0.03 -0.13 0.03 -0.01 -0.14 -0.06 -0.02 0.03 0.02 0.07 -0.05 0.11 0.05 0.03 0.15 0.01 0.06 -0.09 -0.13 -0.02 -0.03 0.05 -0.00 0.02 -0.03 0.03 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.03 -0.08 -0.01 -0.01 0.12 0.04 -0.01 -0.02 -0.01 -0.01 0.02 -0.00 -0.00 -0.05 0.03 0.28 -0.06 -0.04 0.50 -0.10 -0.06 -0.06 -0.13 -0.07 0.18 -0.02 0.01 0.07 0.04 0.04 -0.04 -0.08 0.03 0.29 -0.48 -0.21 0.08 0.06 0.05 0.06 0.05 -0.02 0.02 0.03 0.08 -0.01 -0.06 0.04 -0.02 0.00 -0.00 -0.01 0.02 0.07 -0.01 -0.01 -0.14 0.04 0.19 -0.11 0.04 0.20 -0.08 -0.04 -0.00 -0.01 0.02 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.03 -0.03 -0.02 -0.02 -0.03 0.03 0.02 0.03 0.05 -0.11 0.13 0.02 -0.01 0.10 -0.01 0.05 -0.02 -0.04 -0.02 -0.03 0.03 -0.03 0.03 0.00 -0.08 -0.03 0.04 -0.03 0.09 -0.02 -0.10 0.11 0.11 0.07 0.17 0.06 -0.01 0.12 0.01 0.13 0.06 -0.12 -0.09 0.10 -0.16 -0.02 0.16 -0.02 -0.11 -0.08 -0.01 0.48 0.09 -0.28 0.37 -0.29 -0.25 0.34 0.03 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 -0.02 -0.01 -0.12 -0.04 -0.05 0.00 -0.01 -0.00 -0.01 -0.01 0.04 -0.09 0.01 0.00 -0.11 0.01 -0.00 -0.03 -0.02 -0.02 -0.07 0.02 -0.02 -0.02 -0.01 -0.03 0.02 0.03 -0.02 -0.05 0.07 0.04 0.31 0.33 0.20 0.52 0.15 -0.02 0.39 0.01 0.39 0.00 0.01 -0.01 0.02 0.01 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.16 -0.04 0.08 -0.13 0.11 0.07 -0.12 0.01 0.00 0.00 0.01 -0.01 0.00 -0.03 0.02 -0.01 0.04 -0.02 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 0.01 -0.09 0.06 0.05 -0.00 -0.01 0.04 -0.01 -0.00 0.00 -0.02 0.00 0.00 -0.04 -0.06 -0.03 -0.13 0.05 -0.05 -0.00 -0.02 -0.14 -0.02 0.10 -0.07 -0.01 0.05 -0.00 -0.03 -0.04 -0.02 -0.07 0.01 -0.01 -0.06 0.02 -0.03 0.20 -0.33 -0.34 0.38 -0.33 -0.02 0.46 -0.07 -0.21 -0.02 0.02 -0.16 -0.06 0.06 -0.17 0.13 0.09 -0.14 -0.03 -0.01 -0.00 0.05 -0.02 0.01 -0.13 0.08 -0.03 0.18 -0.09 0.06 0.01 0.03 -0.03 -0.12 0.01 0.08 0.03 -0.01 -0.01 0.04 -0.02 0.01 0.07 -0.03 -0.05 -0.00 0.01 0.01 0.05 0.02 0.00 0.12 -0.02 0.02 -0.16 -0.26 -0.12 -0.51 0.20 -0.19 -0.06 -0.04 -0.35 0.06 0.26 -0.17 0.02 0.09 -0.02 0.02 -0.03 -0.04 -0.07 0.14 -0.05 -0.08 0.08 0.06 -0.11 0.11 0.21 -0.17 0.04 -0.05 -0.19 0.03 0.06 0.03 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.01 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.15 -0.02 0.00 -0.01 -0.16 0.00 -0.00 0.01 -0.04 0.02 -0.02 -0.04 0.02 0.10 0.02 -0.09 0.05 -0.00 0.02 0.00 -0.22 -0.20 0.62 0.39 -0.24 0.10 -0.41 0.23 -0.00 0.00 -0.06 0.01 -0.01 0.01 -0.00 0.04 -0.01 0.04 0.04 -0.00 -0.00 0.02 0.03 0.02 -0.02 -0.01 0.02 -0.01 -0.04 -0.04 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.04 0.00 -0.01 -0.01 -0.03 0.06 0.05 0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 0.00 -0.02 0.01 0.01 -0.00 0.01 0.07 0.47 0.06 -0.01 0.04 0.49 -0.02 -0.02 -0.02 0.06 -0.03 0.01 0.11 -0.07 -0.33 -0.06 0.30 -0.18 0.01 -0.07 -0.01 -0.06 -0.05 0.22 0.12 -0.13 0.05 -0.13 0.05 -0.04 -0.01 0.22 -0.04 0.05 -0.03 0.01 -0.16 0.02 -0.12 -0.14 0.02 -0.00 -0.07 -0.11 -0.05 0.06 0.06 -0.07 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.02 -0.02 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.02 0.00 -0.04 -0.01 -0.01 -0.01 0.01 0.13 0.02 -0.04 0.01 0.13 -0.03 -0.03 -0.02 -0.01 0.00 -0.00 0.04 -0.03 -0.14 -0.02 0.13 -0.08 0.00 0.04 -0.03 0.08 0.09 0.06 -0.02 -0.19 0.06 0.05 -0.12 -0.15 0.03 -0.40 0.03 -0.05 0.38 0.08 0.28 -0.05 0.50 0.21 -0.03 -0.10 0.15 0.21 0.10 -0.12 -0.01 0.13 0.00 0.00 -0.00 -0.02 -0.02 -0.02 0.02 -0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.03 -0.04 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.06 0.01 0.01 0.01 0.07 0.07 0.07 0.05 0.06 -0.02 0.02 0.04 -0.02 -0.08 -0.02 0.07 -0.05 -0.01 0.01 0.00 -0.26 -0.27 -0.17 0.06 0.56 -0.18 -0.17 0.36 0.44 0.02 -0.10 -0.02 0.01 0.14 0.04 0.06 -0.01 0.16 0.10 -0.02 -0.01 0.05 0.08 0.02 -0.03 -0.04 0.04 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.03 0.01 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.02 -0.03 0.00 -0.01 -0.05 -0.22 -0.03 0.00 -0.02 -0.22 -0.00 -0.00 -0.01 0.04 -0.01 0.00 0.07 -0.03 -0.22 -0.04 0.19 -0.12 0.02 -0.02 -0.03 0.02 0.02 0.01 -0.01 -0.05 0.02 0.01 -0.03 -0.04 0.11 0.32 -0.29 0.33 0.05 0.07 -0.29 0.04 -0.03 0.42 -0.07 0.06 0.11 0.30 -0.04 -0.04 -0.28 0.08 0.01 0.02 0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 -0.02 0.04 0.02 0.02 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.04 -0.02 -0.03 -0.24 -0.03 -0.04 -0.01 -0.24 0.01 0.01 0.01 0.02 -0.02 0.00 0.06 -0.05 -0.21 -0.03 0.21 -0.12 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.03 0.07 0.04 -0.04 -0.08 -0.02 -0.03 0.00 -0.11 -0.25 0.05 -0.33 0.22 0.03 0.36 -0.26 0.52 0.19 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.04 -0.00 0.01 0.01 0.03 -0.06 -0.05 -0.03 0.02 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.02 -0.02 0.01 0.01 -0.02 -0.01 0.05 0.26 0.04 0.01 0.02 0.26 0.00 -0.00 0.00 -0.05 0.03 -0.00 -0.10 0.06 0.29 0.04 -0.29 0.16 -0.01 0.09 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 0.15 0.18 -0.35 0.39 0.16 0.10 -0.21 0.03 0.12 -0.08 0.02 -0.19 0.13 0.05 0.20 -0.15 0.24 0.12 0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.02 0.02 -0.03 -0.02 -0.00 0.03 0.21 0.03 -0.04 0.02 0.22 -0.01 -0.01 -0.00 -0.02 -0.00 0.00 -0.05 0.02 0.13 0.02 -0.11 0.07 0.01 0.02 -0.05 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.10 0.01 0.21 -0.22 -0.36 -0.12 0.07 -0.01 -0.36 0.41 -0.06 -0.16 0.23 0.42 0.09 -0.15 -0.06 0.17 0.02 0.04 0.02 -0.14 -0.43 -0.19 0.10 0.48 0.20 -0.01 -0.05 -0.03 0.00 -0.01 0.01 0.01 0.02 0.00 0.00 -0.01 -0.01 -0.03 -0.04 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.11 0.08 0.02 0.21 0.03 0.15 0.38 0.07 0.15 0.21 -0.15 0.06 -0.01 -0.02 -0.03 -0.01 0.03 -0.01 -0.04 0.04 0.04 0.13 0.12 0.08 -0.16 -0.15 0.01 -0.09 -0.09 -0.17 -0.01 0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.02 0.00 0.02 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 -0.00 -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 0.01 0.00 0.00 0.00 0.11 -0.57 -0.02 -0.17 0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.61 0.11 0.47 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.03 -0.01 -0.02 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.02 0.01 0.01 -0.05 -0.01 -0.04 -0.00 -0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.14 0.75 0.02 0.20 -0.04 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.02 0.47 0.08 0.36 0.03 -0.03 -0.00 -0.01 0.02 0.07 0.02 0.05 -0.03 -0.05 -0.01 -0.03 -0.00 -0.01 0.02 0.01 0.03 -0.00 -0.01 -0.05 -0.01 -0.03 0.02 0.01 -0.02 -0.00 -0.02 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.07 -0.00 -0.01 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 -0.05 -0.01 -0.04 0.25 -0.29 -0.01 -0.09 0.19 0.63 0.24 0.48 -0.33 0.02 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.05 0.01 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.63 0.10 0.35 0.04 0.13 -0.44 -0.11 -0.47 0.01 -0.01 -0.05 -0.01 -0.06 0.03 0.03 0.03 0.00 0.02 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.03 0.04 -0.00 -0.01 0.08 -0.02 -0.17 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.07 0.01 0.04 -0.00 0.00 -0.00 -0.01 -0.04 -0.00 0.09 0.63 0.08 0.38 -0.19 -0.17 -0.44 -0.09 -0.36 -0.01 -0.08 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.24 0.12 0.93 -0.11 0.04 -0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.01 0.08 0.01 0.10 -0.05 -0.04 -0.11 -0.02 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.03 -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.02 -0.08 0.22 0.65 -0.27 -0.56 0.35 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.04 -0.06 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 -0.03 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.57 0.09 0.31 -0.07 -0.15 0.47 0.11 0.54 -0.03 -0.01 -0.08 -0.01 0.05 -0.02 -0.02 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.06 0.04 0.01 -0.05 -0.02 0.00 0.00 -0.01 0.00 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.02 0.01 -0.04 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 0.06 0.15 -0.55 0.13 0.57 -0.00 0.07 0.42 0.04 -0.27 0.12 0.12 0.13 0.01 0.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.03 -0.03 -0.03 -0.06 -0.04 0.00 0.00 -0.00 0.00 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.05 0.01 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 0.01 -0.05 -0.11 0.38 -0.07 -0.30 0.00 0.08 0.60 0.06 -0.13 0.05 0.05 0.44 0.07 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 0.04 -0.08 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.03 0.00 -0.01 -0.04 -0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.61 0.69 0.01 -0.03 0.06 0.25 0.12 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.08 0.03 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.02 -0.01 -0.01 0.03 0.06 -0.22 0.03 0.12 -0.00 -0.03 -0.09 -0.01 0.66 -0.32 -0.32 0.38 0.08 0.34 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 -0.04 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.00 0.00 0.00 0.01 -0.01 0.00 -0.04 -0.26 -0.20 -0.21 0.71 -0.13 0.20 -0.30 -0.43 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.04 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.06 -0.05 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.05 0.05 -0.00 0.11 0.74 0.56 -0.06 0.22 -0.04 0.09 -0.13 -0.19 -0.00 -0.00 -0.00 -0.02 0.03 0.00 -0.00 0.01 0.03 0.01 0.02 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 0.06 -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 -0.06 0.06 -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 -0.01 -0.06 0.01 0.73 -0.67 0.02 0.01 0.06 0.04 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.08 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.05 0.04 -0.16 0.57 -0.12 -0.27 0.40 0.62 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 298.150 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 136.12520 998.73136 1455.70411 1872.11167 0.99998 0.00624 -0.00188 -0.00623 0.99996 0.00641 0.00192 -0.0064 0.99998 asymmetric 1 0.08672 0.05950 0.04627 1.80703 1.23977 0.96401 616724.4 146.39 201.33 274.29 294.43 312.15 383.19 402.21 435.87 520.12 550.24 567.78 607.33 711.05 746.87 838.57 920.73 1059.76 1147.19 1175.92 1200.81 1258.81 1288.75 1347.02 1365.19 1407.11 1430.02 1477.63 1509.29 1525.51 1540.79 1549.54 1569.05 1586.80 1624.83 1646.31 1696.12 1776.03 1797.69 1849.53 1894.76 1942.53 1959.19 1985.10 2023.23 2031.84 2038.48 2052.68 2126.64 2128.44 2143.98 2147.23 2150.44 2159.14 2166.06 2180.78 2486.07 4311.24 4332.76 4334.26 4350.05 4370.31 4386.71 4399.55 4440.66 4459.45 4465.37 4473.31 4484.88 4503.26 4513.67 4536.38 4629.10 0.234898 0.245151 0.246095 0.200551 -390.462766 -390.452513 -390.451569 -390.497113 153.834 41.182 95.855 0.000 0.000 0.000 0.889 2.981 40.637 0.889 2.981 29.388 152.057 35.220 25.829 1 0.604 1.948 3.421 2 0.615 1.913 2.805 3 0.634 1.853 2.222 4 0.640 1.833 2.091 5 0.646 1.815 1.984 6 0.672 1.735 1.620 7 0.680 1.711 1.536 8 0.694 1.668 1.401 9 0.736 1.552 1.116 10 0.752 1.508 1.030 11 0.762 1.482 0.983 12 0.784 1.422 0.885 13 0.850 1.263 0.673 14 0.874 1.208 0.612 15 0.940 1.068 0.480 0.566187e-92 -92.247040 -212.406660 0.628647e+16 15.798407 36.377176 0.170519e+03 2.231773 5.138846 0.100000e+01 0.000000 0.000000 0.624254e+08 7.795362 17.949484 0.590571e+06 5.771272 13.288846 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1877 -0.2529 0.0007 0.3150 -62.7392 -61.5372 -63.3113 -0.0489 0.6538 0.9565 -0.2100 0.9920 -0.7821 -0.0489 0.6538 0.9565 -1.2852 -1.1269 0.7815 -0.7146 1.4154 -1.3992 0.1301 -1.2711 0.9643 -0.3472 -1030.4520 -643.9980 -320.7698 -3.2251 3.1297 -2.5966 0.6080 1.1023 3.4909 -282.7865 -231.5449 -168.8890 -0.2344 2.7613 1.1944 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -390.6976638 3.547E-9 5.81E-6 0.2348979 0.2451507 0.770209,-1.0909486,0.3207396,-0.0405538,0.4659863,-0.1859532 C01 [X(C10H16)] 0.1177825 0.0072016 -0.0378307 0.0554386 0.023792 0.0483745 0.0689317 0.1601234 0.0163454 0.0398404 0.0057592 0.0708913 -0.0768099 -0.0203987 -0.0381884 -0.0295164 -0.2309367 -0.0507722 -0.0355795 0.0084079 0.0297879 0.2818922 0.0495405 -0.1203707 0.0889513 -0.1011984 0.0220198 -0.085659 0.006415 0.2519807 0.0082778 -0.0119964 0.124139 -0.0752365 0.0958605 0.0176211 0.2880186 0.0453332 -0.2245533 -0.0313097 -0.0313959 -0.0004093 -0.0663049 -0.1321289 0.0297598 -0.0972843 0.0013544 0.06195 0.0797165 -0.0076708 -0.034893 0.074892 0.0662868 -0.1243491 -0.1142311 -0.0651529 0.0796155 0.0582326 0.060991 0.0192221 0.0465893 0.1415746 0.0201012 0.0420768 -0.0025982 0.150609 0.056575 -0.0025246 0.0012082 -0.0231832 0.1407419 0.0017619 0.0115747 0.005115 0.0414129 0.0510553 -0.0148071 -0.0466799 -0.0298587 0.1061094 0.007333 -0.0148419 -0.0104065 0.1132876 0.0809941 -0.0233125 0.0011642 -0.012283 -0.0139064 0.0197234 -0.0072879 -0.0269442 0.0703242 0.0601141 0.0143792 0.0318565 0.0452429 -0.1438912 0.0624224 -0.0491571 0.0273668 -0.0763726 -0.1222206 -0.0555456 -0.0612622 -0.1008228 0.0210812 -0.0610768 -0.0570587 -0.0274464 -0.0263978 -0.0878303 0.0073079 0.0857457 -0.0008482 0.1013894 -0.0073481 0.0957813 -0.0239662 -0.0527736 -0.0802095 0.021835 -0.0654766 0.0325838 0.0305242 0.0491331 -0.0447129 0.0315642 -0.0512835 -0.0969066 -0.0945429 0.0189087 -0.055599 -0.0049563 0.0178316 0.0477227 0.0171921 0.0456374 -0.0223515 0.0897138 -0.0174118 0.0350658 -0.0370374 0.0138754 0.0141175 0.0145926 0.047465 0.0135766 -0.0204031 0.021028 -0.0128396 -0.0376309 0.0230422 0.0058357 0.0166627 -0.209987 -0.1104924 0.0008597 0.1193957 -0.0044613 0.0623059 0.0039801 0.0337133 -0.0026236 -0.022762 0.0084109 0.0819863 -0.0505039 0.085152 -0.0576238 0.0823124 -0.0421479 0.0206368 -0.0495967 0.0199349 -0.0826683 -0.0469878 -0.0803206 -0.0661424 -0.0843891 -0.0479271 -0.0313891 -0.0471739 0.014613 0.0322319 0.028593 0.0245321 0.0324358 0.0124396 0.0802772 -0.0137421 -0.1698133 0.0490942 0.0058782 0.0359141 0.0365661 -0.1546801 -0.0029565 0.0226297 0.0361285 0.0260981 -0.0969296 -0.0319056 -0.0352885 -0.0820036 0.016959 -0.0405718 -0.0889522 -0.0369952 0.0128752 -0.1142162 -0.0882054 -0.0892971 -0.0332798 0.0022775 -0.0225225 -0.0694036 -0.031603 0.017653 -0.04166 0.1022495 0.0821714 0.0721694 -0.0345958 -0.0445008 0.0683475 -0.0422922 0.0091601 0.0430107 -0.0053879 -0.0109523 -0.0041187 0.0370586 0.0387845 0.0043078 0.0786314 -0.0980341 108.9703669|1.8277265|88.4693502|0.192492|6.2069996|108.9106594 0.51583521 0.04641274 0.53104246 0.04818536 -0.01584721 0.47219928 -0.08937224 0.00175287 0.00076446 0.80167132 -0.00162917 -0.06880205 0.00186706 0.00202774 0.13903036 -0.00333824 -0.00225271 -0.20158668 0.07965117 0.00480697 0.60459136 0.00520730 -0.00179759 -0.01183477 -0.40170550 -0.00264398 -0.17996135 0.72727212 0.00090962 0.00240543 -0.00026846 -0.00420476 -0.05639331 -0.00402910 0.00812342 0.18163459 -0.02903511 0.00076688 -0.02332631 -0.18753700 -0.00353278 -0.22047858 0.14030441 0.00005193 0.61983333 0.00015906 0.00134438 0.00181745 -0.04097332 -0.00028167 0.01002639 -0.19385782 0.00012491 0.05181547 0.59746170 0.00094598 -0.00515864 0.00134692 -0.00348127 0.00475422 0.00030463 0.00433254 -0.06380471 0.00133178 -0.05927074 0.25434076 0.00092753 -0.00192475 -0.00230253 -0.00187314 -0.00007701 0.01495500 0.03589667 0.00287589 -0.10852051 0.04786152 -0.09495152 0.55379323 -0.00069403 -0.00226402 0.00024379 -0.00267223 -0.00080811 0.00319498 -0.00901872 -0.02630827 0.00735171 -0.06743491 -0.00771757 0.01887952 0.66223365 -0.00093687 0.00135467 -0.00048802 0.00040282 0.00133159 0.00081876 -0.00385024 -0.00032148 -0.00053096 -0.01028027 -0.10293827 0.11607644 -0.01665272 0.58474673 0.00016082 0.00206943 0.00119254 -0.00635195 -0.00058396 0.00042112 0.01515379 0.01172172 -0.01319655 0.00371063 0.06046064 -0.09303030 0.01084517 -0.07243366 0.22640598 -0.03118147 -0.00291391 -0.00628782 0.00080996 -0.00226901 -0.00229589 0.00442820 0.01840486 0.02197906 -0.06998251 0.00793695 -0.00213766 -0.07377246 -0.00976371 -0.00660336 0.51161807 0.01110794 0.00575252 0.00854212 0.00143198 0.00138307 -0.00081927 -0.00393970 -0.00089760 0.00551576 0.01222064 -0.03127088 -0.06615399 -0.01853290 -0.19100189 -0.02877571 -0.02190760 0.44647475 0.00767267 0.00771120 0.00984810 -0.00550368 0.00193159 -0.00153643 0.01397188 -0.00361835 -0.01728705 -0.00197393 -0.00984126 -0.17019880 -0.01659100 -0.07835168 -0.03516170 0.01418842 0.14244469 0.42750283 -0.12581486 0.02863224 0.01903742 0.00017265 -0.00142976 0.01333249 -0.00027265 -0.00155893 -0.00232881 0.00361686 -0.00361970 -0.00441596 -0.00211356 -0.00479327 -0.00388507 -0.14628731 -0.01543217 -0.03307713 0.44593702 0.03186301 -0.09340535 -0.01503970 -0.00225067 0.00070802 -0.00294060 0.00069077 0.00089433 -0.00087962 0.00582315 -0.00244910 0.00242116 -0.02720738 -0.00981638 -0.01462901 -0.01893571 -0.08122618 -0.01573544 0.00056202 0.45584999 0.02487723 -0.01905557 -0.08997880 0.02919168 -0.01407722 -0.01850666 0.00004538 0.00244670 0.00329191 -0.02725286 -0.01066848 -0.02068956 0.00672504 0.00032068 -0.00249977 -0.03692766 -0.01339837 -0.09299195 -0.00420152 -0.02809890 0.57289892 -0.00368379 -0.00003081 -0.00036736 0.00061159 -0.00081252 -0.03061862 -0.08473367 -0.00021166 0.00392359 0.00032434 0.00091527 0.03023253 -0.00123896 0.00063987 0.00092745 -0.00389709 -0.00069598 0.00129725 -0.00110363 0.00035157 -0.00034842 0.57906528 0.00089574 0.01358583 -0.00046914 -0.00139681 0.00662713 -0.00060466 0.00036282 -0.07242586 -0.00085931 -0.00010878 0.00348173 0.00226205 0.00011674 -0.00079034 0.00007882 -0.00036950 0.00032722 -0.00204618 0.00027119 -0.00035341 0.00099315 0.00130332 0.52377480 -0.00050607 -0.00048387 0.00199784 -0.00549917 -0.00072050 -0.02536502 -0.00248790 -0.00085625 -0.21011177 0.00539275 0.00004915 -0.01864698 -0.00079710 -0.00050668 0.00028234 0.00075167 0.00027136 0.00081498 -0.00003360 0.00007551 -0.00002730 -0.01301730 -0.00086588 0.47950973 -0.00254992 -0.00281993 -0.00251584 0.00044455 0.00016573 -0.00042653 -0.00125073 -0.00046150 -0.00035622 -0.00259281 0.00348654 0.00373820 0.00259066 0.00190884 0.00142390 -0.15989828 0.04776893 0.02975496 -0.02581230 0.01134513 0.00819082 0.00039818 0.00008449 -0.00001164 0.50219431 -0.00254930 -0.00098618 -0.00114741 -0.00018702 -0.00001138 -0.00039125 0.00097984 0.00097439 0.00183066 -0.00691724 -0.00062382 0.00033362 0.02754163 -0.02330642 -0.01192655 0.04467177 -0.09974626 -0.02123815 -0.00532135 0.00604177 0.00440977 -0.00062608 -0.00009511 0.00000205 0.03797384 0.54882303 -0.00248775 -0.00206726 -0.00260849 0.00118541 0.00039483 -0.00042659 -0.00343582 -0.00419907 -0.00196339 0.02839264 -0.01760007 -0.01577059 -0.00546749 0.00175566 -0.00185027 0.02813893 -0.02006214 -0.08357265 -0.01092894 0.00771949 0.00607090 0.00113132 0.00023325 -0.00017584 0.03120012 -0.00689638 0.54841199 0.00030625 0.02755891 -0.00165045 0.00083085 0.00071313 -0.00102834 -0.00152511 -0.00004666 -0.00010251 0.00151452 0.00074069 0.00054428 -0.00550226 -0.00035750 -0.00081982 -0.00560670 -0.03165998 0.00039578 -0.07702470 -0.01343246 0.00177710 0.00030860 0.00019217 -0.00007073 -0.00072147 -0.00089622 -0.00055808 0.57164481 0.00553570 -0.02369554 -0.00182084 -0.00129185 -0.00076958 -0.00032952 0.00100603 -0.00093792 -0.00038221 0.00107372 0.00061836 0.00073887 -0.00021116 0.00106779 0.00071313 -0.00984773 -0.01311057 -0.00376936 -0.00988804 -0.16957541 0.01048554 -0.00003567 -0.00008521 0.00008993 -0.00080453 0.00134226 -0.00027584 -0.02213877 0.45752253 -0.00097955 -0.01502817 0.00170834 0.00060780 -0.00080397 0.00114612 -0.00079447 0.00032645 -0.00039767 0.00109835 -0.00025712 0.00082188 -0.00333475 -0.00071970 0.00011502 -0.00270617 -0.01653722 0.00089224 0.00277528 0.00885485 -0.08070036 0.00011619 0.00007341 -0.00013685 -0.00109482 0.00048097 -0.00081348 -0.00000044 0.01043648 0.56815165 -0.04522926 0.00447097 -0.00173394 0.00043809 0.00146912 -0.00129062 -0.00016187 -0.00029240 -0.00077062 -0.00008920 -0.00007554 -0.00025560 -0.00050336 0.00003433 -0.00055153 0.00159333 0.00093388 0.00070918 -0.00190158 0.02587567 -0.00758654 -0.00004741 -0.00026489 -0.00007245 -0.00000643 -0.00002543 -0.00008186 -0.00446155 0.00095756 0.00169474 0.04945360 0.00717045 -0.26264315 0.07768047 0.00021513 0.00429650 0.00281358 -0.00119974 0.00056949 -0.00074787 -0.00086572 -0.00001280 0.00018101 -0.00002555 -0.00065175 -0.00067223 -0.00055046 -0.00052192 -0.00031932 0.00005589 -0.01498450 0.00410325 0.00024154 -0.00032460 0.00027314 0.00016114 0.00005567 0.00007920 0.00355877 -0.00046894 -0.00225171 -0.00691843 0.28929188 -0.00304146 0.08417565 -0.07158743 -0.00438549 0.02947833 -0.01794046 0.00379201 0.00062406 -0.00104517 0.00023136 0.00130639 0.00071138 -0.00024375 0.00036968 -0.00031662 -0.00072752 0.00071314 -0.00074179 0.00049999 -0.01323424 0.00286537 -0.00079333 -0.00313329 -0.00024350 0.00004378 -0.00022914 0.00031593 0.00273458 -0.00147255 -0.00068518 0.00163029 -0.08668294 0.08486552 -0.22254268 -0.09528389 -0.06841527 0.00027289 0.00139662 -0.00036582 0.00137680 -0.00082935 0.00031240 0.00017144 0.00033097 0.00050478 0.00024370 0.00051014 0.00041984 -0.00251285 0.00280917 0.00335941 -0.02242798 -0.01051799 -0.00893551 -0.00002681 -0.00007516 -0.00001164 -0.00098061 -0.00098615 -0.00103223 0.00059121 -0.00199314 -0.00119530 -0.00004396 -0.00073382 0.00032721 0.24362983 -0.09757295 -0.09756724 -0.03888057 0.00171056 0.00049469 0.00171754 0.00031761 0.00029871 -0.00003529 -0.00009330 -0.00034759 -0.00011832 0.00000761 -0.00044851 -0.00015648 0.00246583 -0.00212372 -0.00148059 0.01389776 0.00533325 0.00547810 -0.00004939 0.00014790 0.00019609 0.00080345 0.00063593 0.00047733 0.00172075 0.00069938 0.00033693 -0.02621424 -0.01571633 -0.00928641 0.10328914 0.10739567 -0.06740197 -0.03735055 -0.07260088 -0.03065961 -0.01524500 -0.01395126 0.00286672 -0.00079552 -0.00532495 0.00040511 -0.00053376 0.00037508 0.00004768 -0.00015730 -0.00029767 0.00138240 -0.00122433 -0.00133347 0.01051687 0.00525439 0.00401621 -0.00131422 0.00183085 -0.00009186 0.00063185 0.00025326 0.00059377 0.00024779 0.00034621 0.00051447 0.00918960 0.00503173 0.00373725 0.07412811 0.04229908 0.08328877 0.00286011 -0.00035261 -0.00301991 -0.26644066 0.00146792 0.11184592 -0.02366102 -0.00026895 0.01592432 -0.00178457 0.00043790 -0.00440382 -0.00001775 0.00010732 -0.00012387 0.00028080 0.00004232 -0.00052708 0.00079310 -0.00032253 -0.00072635 0.00071721 0.00010970 0.00212874 0.00009683 -0.00007018 0.00006989 -0.00001669 -0.00007406 0.00010756 -0.00014396 0.00035011 0.00038226 0.00105468 0.00003094 0.00036670 0.28623084 -0.00156301 0.00253207 -0.00050535 0.00086415 -0.03306643 -0.00026785 -0.00053066 0.00445873 0.00003491 -0.00068999 0.01009697 -0.00094085 0.00193743 0.00007981 -0.00065060 -0.00144500 -0.00064599 -0.00033686 0.00197746 -0.00013994 -0.00073364 0.00012933 -0.00779842 0.00020583 -0.00000136 -0.00008648 0.00023831 -0.00012327 0.00029970 -0.00008680 0.00057323 -0.00059726 -0.00035883 0.00063777 0.00044444 0.00030907 -0.00127915 0.02283299 0.02548024 -0.00223479 -0.01064035 0.11732899 -0.00120685 -0.11529906 -0.01552212 -0.00000223 0.00813826 -0.00269297 -0.00014505 -0.00127413 -0.00021619 -0.00006787 -0.00036473 -0.00049550 0.00011123 -0.00050808 -0.00191147 0.00220098 -0.00485573 -0.00174104 0.00012861 0.00169312 0.00014678 0.00006205 0.00021115 0.00018897 0.00029607 -0.00001324 0.00004872 0.00059344 -0.00105450 -0.00032374 -0.00042545 0.00149058 -0.12124852 0.00232565 0.12233895 0.00027766 0.00016284 0.00042320 -0.00298695 0.00059942 0.00464752 -0.02021206 0.00639006 -0.01724518 -0.22199454 0.05926770 -0.12161847 0.00524862 -0.00277418 0.00510580 -0.00041269 -0.00109518 0.00177633 0.00029111 0.00036385 0.00006681 0.00104176 0.00002435 -0.00181614 0.00065382 0.00023074 0.00129393 0.00009641 0.00010440 -0.00014650 -0.00002674 0.00004899 -0.00021074 0.00002508 -0.00001644 -0.00011225 -0.00126841 -0.00068744 -0.00075420 0.23712234 0.00038129 -0.00067858 0.00010122 0.00032252 0.00067253 -0.00007603 -0.00263905 -0.00073839 0.00000312 0.05984456 -0.05504951 0.04054703 0.02268900 -0.00770109 0.01496795 -0.01740371 0.00237307 -0.00726008 0.00113976 0.00125682 -0.00388306 -0.00020538 0.00050940 -0.00010633 -0.00038981 0.00079414 0.00204447 0.00003209 0.00030649 -0.00001405 -0.00011319 0.00024124 -0.00002856 -0.00002567 0.00012694 0.00002287 -0.00019044 0.00063399 -0.00010476 -0.06126780 0.05824380 0.00023555 -0.00048539 -0.00030978 0.00295173 0.00040846 -0.00192377 0.01213293 -0.00466372 0.00960719 -0.12109987 0.04203451 -0.13352519 -0.00545863 0.00128733 -0.00898516 -0.01652121 0.00830577 -0.01323665 0.00201950 0.00226355 -0.00307811 0.00066627 -0.00046555 0.00114863 -0.00219289 -0.00087680 0.00212892 -0.00008348 0.00027523 0.00006980 0.00000965 -0.00002322 0.00018862 -0.00012630 -0.00001754 0.00015068 0.00074715 0.00068585 0.00058515 0.12652561 -0.04767545 0.14713411 0.00013455 0.00009937 0.00023082 0.00022076 -0.00038795 0.00000121 -0.00039224 -0.00008262 0.00003296 -0.00047495 0.00083832 -0.00183803 -0.29687765 -0.09663681 0.01422024 -0.00106800 0.00054265 0.00045286 0.00036643 -0.00005645 0.00077566 -0.00002667 -0.00016637 -0.00015010 0.00021473 0.00174111 -0.00001928 0.00001107 0.00009068 -0.00008281 0.00029296 0.00001574 0.00019609 -0.00002026 -0.00010072 0.00003750 0.00000338 -0.00000363 0.00004574 0.00093370 0.00010343 -0.00009712 0.31089145 0.00062817 -0.00033024 0.00007903 -0.00057572 0.00022706 0.00058671 0.00069591 -0.00117782 -0.00132171 -0.00792163 -0.00734747 -0.00001389 -0.09341501 -0.08445093 0.00813530 -0.02021449 -0.00963242 0.00284565 0.00130530 -0.00315656 0.00239427 -0.00006179 -0.00007145 -0.00009414 -0.00208793 0.00195714 -0.00146093 -0.00113127 0.00002066 -0.00063161 -0.00017846 0.00029382 -0.00027869 -0.00007269 0.00022537 -0.00009918 -0.00006009 0.00021008 -0.00003221 -0.00033279 0.00137076 0.00095314 0.10349518 0.09288425 0.00007962 -0.00002690 -0.00109605 0.00147516 0.00055475 -0.00107817 -0.00067765 0.00491869 0.00023311 0.02704541 0.00772711 -0.00169537 0.01378346 0.00780189 -0.03522544 -0.02016853 -0.00361577 -0.00092232 0.00046873 -0.00405937 0.00154531 0.00056909 0.00008535 0.00021038 -0.00041292 0.00256488 0.00047708 -0.00146047 -0.00001238 -0.00083497 -0.00013016 -0.00032008 0.00029552 -0.00003737 -0.00010663 0.00017954 0.00009336 -0.00052206 0.00021994 -0.00060775 -0.00308957 0.00116587 -0.01553886 -0.00926605 0.03665632 -0.00113392 -0.00094693 -0.00064867 0.00024646 0.00008203 0.00011965 0.00104829 -0.00019450 0.00087271 0.00297699 -0.00480894 0.00139848 -0.20927043 0.14165216 -0.03304867 0.00302044 -0.00386671 0.00152993 -0.00002180 0.00019148 -0.00051189 -0.00000717 -0.00011203 0.00007671 -0.00029517 -0.00013140 -0.00007216 0.00006606 0.00006383 0.00016066 -0.00146938 -0.00130652 -0.00054881 0.00006163 -0.00009463 -0.00006404 0.00005343 0.00011799 -0.00001915 0.00016059 -0.00072412 0.00029453 -0.01545953 0.01833648 -0.00442423 0.21916554 0.00017993 -0.00054383 0.00005059 -0.00052269 0.00006379 0.00055945 0.00209401 0.00123891 0.00038158 0.00486165 -0.00961118 0.00109020 0.13769320 -0.17097954 0.02946502 0.01484123 -0.01216182 0.00632804 0.00161075 0.00169641 -0.00078981 -0.00045920 -0.00011912 0.00014116 -0.00177363 -0.00314994 0.00209452 0.00007760 0.00017177 0.00017310 -0.00106024 0.00065252 -0.00070265 0.00003508 0.00048479 -0.00016631 -0.00003007 -0.00002122 -0.00009276 -0.00033977 -0.00094910 -0.00087490 -0.00960620 0.00964369 -0.00244920 -0.14838210 0.18389315 -0.00024718 -0.00058001 0.00111382 0.00032272 -0.00089531 0.00021172 -0.00316654 -0.00246446 0.00157539 -0.02081377 0.01704166 -0.00655434 -0.03206629 0.02814767 -0.04035956 0.01837909 -0.00850876 0.00214203 0.00046193 0.00230925 0.00031651 -0.00022883 0.00028212 -0.00016291 -0.00094702 -0.00464031 0.00115655 0.00044593 0.00005642 0.00009556 -0.00058757 0.00030514 0.00021971 -0.00003020 0.00020468 -0.00009295 0.00007421 0.00016582 -0.00002203 0.00127051 0.00495569 -0.00102930 0.00129123 -0.00165178 -0.00005609 0.03492287 -0.03384667 0.04265182 -0.00254771 -0.00370670 0.02743636 -0.00441068 0.00214536 -0.00020944 -0.00075551 0.00016827 0.00063924 -0.00529443 0.00107567 -0.00209008 0.00172313 0.00081737 0.00172934 -0.00204721 0.00457760 -0.03055047 -0.04708434 -0.00321684 0.01081015 0.00032481 -0.00018084 0.00004601 0.00163354 -0.00014185 -0.00088178 -0.00004010 -0.00120779 0.00418762 0.00159242 -0.00021697 -0.00032026 0.00024572 -0.00055757 -0.00043912 0.00011294 0.00000250 0.00154202 0.00007162 -0.00131898 -0.00128374 -0.00002884 -0.00001602 -0.00000691 0.00000738 -0.00051328 -0.00001759 0.05552469 0.00246476 0.00106059 -0.01716532 0.00344696 -0.00070665 -0.00062619 -0.00010399 0.00011875 0.00021299 -0.00197962 0.00036568 -0.00139342 0.00081895 0.00137914 0.00054311 -0.00105520 0.00117260 -0.01050583 -0.00353719 -0.06008885 0.05971602 -0.00006063 0.00007530 0.00004590 0.00029380 -0.00019969 0.00042765 -0.00203630 -0.01291376 0.03364831 -0.00059262 0.00101933 -0.00056147 -0.00010777 0.00011327 0.00041739 0.00001092 0.00019212 -0.00098801 -0.00003076 -0.00048826 -0.00062395 -0.00002026 0.00013231 0.00016157 0.00012672 -0.00025387 -0.00005163 0.00298798 0.07308221 0.00146475 0.00164060 -0.01307114 0.00262656 -0.00097357 0.00109928 -0.00068527 0.00019391 0.00085814 -0.00223667 0.00085245 0.00009499 0.00044337 -0.00020483 0.00111619 -0.00172203 0.00142595 -0.01683157 0.01211846 0.05892665 -0.27704366 -0.00001962 0.00018960 0.00004530 0.00057087 -0.00012427 0.00026097 0.00019814 0.00113718 -0.00232593 -0.00041712 -0.00051630 0.00100774 0.00047972 0.00008239 0.00008146 -0.00010203 0.00012479 -0.00069109 -0.00011019 -0.00083580 -0.00054543 -0.00004470 -0.00018382 -0.00002349 -0.00014275 -0.00048282 -0.00037056 -0.01182807 -0.06250878 0.30312713 0.00030990 -0.00000556 0.00014532 0.00089837 0.00003272 -0.00186017 0.00031410 -0.00011069 -0.00065722 0.00076919 0.00033015 -0.00009021 0.00008430 0.00004277 0.00007603 0.00000659 -0.00012593 -0.00032980 -0.00001241 -0.00005298 -0.00004733 -0.27600216 -0.00259137 0.09271168 0.00005074 -0.00004366 0.00004267 0.00004421 -0.00002873 0.00000030 -0.00001934 0.00000559 0.00002866 0.00001993 0.00000734 0.00007233 0.00056493 0.00002126 0.00022183 0.00040103 -0.00015649 -0.00013385 0.00000644 -0.00001055 -0.00001477 0.00000093 -0.00002718 0.00003232 0.00004642 0.00003337 0.00005171 0.29892847 0.00001707 -0.00018648 0.00001942 -0.00005315 -0.00045714 0.00000949 0.00041581 -0.00140842 -0.00002198 0.00026835 0.00212514 0.00059336 0.00031100 -0.00006576 -0.00045466 -0.00027371 0.00036523 -0.00028364 -0.00001193 -0.00003088 -0.00003242 -0.00278820 -0.04690554 0.00103523 0.00003377 -0.00007400 0.00014709 -0.00000167 -0.00000736 -0.00001329 -0.00000320 -0.00001509 0.00006625 -0.00000092 0.00000298 -0.00003201 0.00001504 0.00029132 -0.00000965 -0.00023954 -0.00016773 -0.00008719 0.00000583 -0.00000866 -0.00008561 -0.00001034 -0.00004024 0.00002911 0.00002300 -0.00000440 0.00000971 0.00291869 0.04526712 -0.00022970 0.00010670 0.00017642 0.00167682 -0.00000562 0.00206001 0.03251404 0.00067151 -0.01258149 -0.00210998 -0.00039353 -0.00548265 0.00020175 -0.00028936 -0.00034467 0.00124756 0.00028830 -0.00015793 0.00026284 -0.00012986 0.00032811 0.08913264 0.00089669 -0.08350411 -0.00014887 0.00024837 -0.00036994 -0.00007221 0.00002387 -0.00005222 0.00003928 -0.00003150 0.00001624 -0.00001803 -0.00002674 0.00000128 -0.00137430 0.00001528 -0.00001728 -0.00003752 -0.00003437 0.00011590 0.00001528 -0.00000321 -0.00015102 0.00002294 0.00014343 0.00004800 -0.00011833 0.00002760 -0.00001222 -0.10035891 -0.00112092 0.09251007 0.00005846 -0.00060152 -0.00013533 0.00087772 0.00052779 -0.00051202 -0.00193587 -0.00062884 -0.00335218 0.00035032 -0.00070346 0.00054890 0.00020880 0.00019595 -0.00015495 -0.00003475 -0.00002046 0.00001147 0.00002606 0.00007619 -0.00015480 -0.10843714 0.10083991 -0.04025798 0.00000868 0.00006414 -0.00002512 0.00001483 0.00004543 -0.00008819 -0.00003926 -0.00004695 0.00016549 -0.00002420 -0.00000341 -0.00009738 0.00029338 0.00056500 -0.00002497 0.00003945 0.00013284 -0.00007781 0.00000804 -0.00000145 -0.00005020 -0.00002986 -0.00000934 0.00006044 0.00003110 -0.00006861 -0.00004113 -0.01358254 0.02396236 -0.01061217 0.11478920 0.00001312 -0.00043783 -0.00010351 -0.00082741 0.00007762 -0.00048506 -0.00083773 0.00328681 0.00001519 0.00056580 0.00029706 0.00027897 -0.00015934 0.00003075 -0.00006071 -0.00018760 0.00003508 -0.00000640 0.00008790 0.00006633 -0.00007128 0.10103056 -0.20526530 0.07051783 -0.00000209 -0.00002805 0.00002995 -0.00004685 0.00005099 -0.00001539 -0.00000172 0.00000436 0.00012996 -0.00003827 0.00002017 -0.00001664 -0.00005202 0.00018537 -0.00004452 -0.00058590 -0.00006571 0.00020048 -0.00001209 0.00000250 0.00004886 0.00000397 0.00002395 -0.00013257 -0.00003452 0.00000555 0.00000465 -0.00131152 0.00084836 -0.00122726 -0.11149034 0.22377109 -0.00107929 -0.00238750 -0.00011688 0.00267745 -0.00003058 -0.00301252 -0.01937498 0.02667091 -0.01527581 -0.00151637 -0.00076898 0.00076863 0.00004937 0.00006458 0.00032221 0.00007761 -0.00023292 0.00019691 -0.00046941 0.00018123 -0.00005016 -0.04182562 0.07205786 -0.07497328 0.00002709 0.00010157 -0.00000663 0.00011466 0.00003667 -0.00011284 0.00009937 0.00008553 0.00024204 0.00005435 -0.00011841 -0.00078119 -0.00011810 0.00110536 -0.00007434 0.00098726 0.00001474 0.00021795 0.00009248 -0.00001533 -0.00001421 -0.00001701 -0.00010054 0.00005272 0.00016186 -0.00006836 -0.00006629 0.00521016 -0.01032676 0.00384561 0.04915323 -0.07800054 0.08521151 -0.00008446 0.00060562 -0.00003617 0.00084466 -0.00028076 -0.00070546 -0.00153243 0.00031796 -0.00312764 0.00007699 0.00023688 0.00037557 0.00030884 -0.00001279 -0.00011064 -0.00002240 -0.00000380 -0.00032360 0.00011933 0.00001422 0.00009603 -0.10316771 -0.09883577 -0.03639207 -0.00000817 0.00003669 0.00000919 0.00000616 -0.00001602 0.00003053 0.00002270 -0.00003515 -0.00013251 -0.00002092 -0.00000405 0.00001302 0.00027686 -0.00066926 -0.00000254 0.00002294 0.00013865 -0.00003615 0.00002853 0.00003532 -0.00005075 -0.00002877 -0.00000610 -0.00001252 -0.00002047 -0.00001245 0.00000767 -0.01279981 -0.02454625 -0.01019683 0.00736156 0.01391302 0.00565072 0.10860265 0.00000951 -0.00012336 0.00016919 0.00090882 0.00005930 0.00044955 0.00028219 0.00275278 -0.00059766 -0.00037042 0.00060718 0.00002757 0.00012965 0.00002765 -0.00024612 0.00022246 0.00003295 -0.00013246 -0.00011740 -0.00004192 0.00006721 -0.09903012 -0.21425749 -0.06911726 0.00000370 0.00000154 0.00000956 0.00003344 -0.00002251 0.00005562 0.00001185 -0.00003619 -0.00003932 0.00000941 -0.00002758 -0.00007497 0.00005204 0.00011161 0.00002599 0.00031140 -0.00031507 -0.00011150 0.00005845 -0.00000602 -0.00005982 0.00000443 -0.00003430 0.00006394 0.00006433 0.00000787 -0.00000328 0.00103192 0.00043982 0.00101045 -0.01277591 -0.02286224 -0.00818045 0.10913894 0.23364735 -0.00047825 0.00293930 -0.00030880 0.00211609 -0.00043652 -0.00295463 -0.01867724 -0.02777868 -0.01439503 -0.00083411 0.00074566 0.00188219 0.00036420 0.00028016 -0.00029298 -0.00025551 0.00015758 -0.00014227 -0.00046080 0.00001032 0.00031744 -0.03786279 -0.07064871 -0.07246461 0.00011789 0.00002257 0.00014956 0.00017595 -0.00004961 0.00003857 -0.00009123 -0.00006858 -0.00103926 -0.00001557 -0.00002970 0.00003090 -0.00009472 -0.00110692 -0.00004257 0.00047908 -0.00015624 0.00002914 0.00006373 -0.00000028 -0.00010476 -0.00008158 -0.00009675 -0.00004609 0.00012563 -0.00001093 0.00000048 0.00487186 0.01053635 0.00362772 0.00561206 0.00888456 0.00361615 0.04497266 0.07671663 0.08213980 0.00015795 0.00023860 -0.00005034 -0.00010303 -0.00014323 0.00028432 0.00105985 0.00100670 0.00075024 -0.00494695 0.00135659 0.00069585 0.00104732 -0.00096472 -0.00097934 -0.00405808 -0.00204599 0.02896138 0.00165172 -0.00040371 0.00113377 -0.00047421 -0.00001614 0.00001123 -0.04903275 -0.00294139 0.02465857 -0.00013720 0.00000547 -0.00002578 0.00003548 -0.00001990 -0.00009597 0.00003712 -0.00004939 -0.00008217 -0.00003722 0.00002606 -0.00010497 -0.00005556 -0.00027397 0.00011883 0.00027206 0.00046494 -0.00014236 -0.00001946 0.00001405 -0.00001895 -0.00019039 0.00013907 -0.00082791 -0.00002181 -0.00005338 0.00016339 0.00001803 -0.00001551 0.00000205 0.00001316 0.00000025 -0.00005395 0.05244533 -0.00008277 -0.00018507 -0.00013252 0.00013246 0.00007675 -0.00004287 -0.00061419 -0.00088067 -0.00052254 0.00374394 0.00001376 -0.00146423 -0.00108389 0.00151079 0.00081048 0.00146172 0.00074507 -0.01696878 -0.00073855 0.00033656 0.00014794 0.00028561 0.00001855 -0.00000879 -0.00305857 -0.05048597 0.02793325 -0.00013893 0.00012692 0.00026669 -0.00000012 -0.00001924 0.00003434 -0.00002362 0.00001745 0.00003881 0.00003720 0.00006097 0.00003501 0.00002754 0.00006558 0.00020878 -0.00017053 -0.00029729 -0.00006943 0.00007202 0.00018278 0.00009669 0.00007097 0.00010445 0.00030416 0.00001065 0.00003189 -0.00010000 -0.00001613 0.00001087 -0.00002342 -0.00000853 0.00000389 0.00001850 0.00059337 0.05063434 0.00013646 -0.00032138 0.00006621 0.00015981 0.00016005 -0.00007596 -0.00081279 -0.00091264 0.00008218 0.00228106 0.00035779 0.00091460 -0.00031136 -0.00066166 0.00059051 0.00193400 -0.00018599 -0.01113757 -0.00068489 -0.00012446 0.00041664 0.00024969 0.00004509 0.00003680 0.02446137 0.02789349 -0.29609579 0.00028991 0.00005005 0.00002657 -0.00005524 0.00000494 0.00009715 0.00004976 0.00000576 0.00004126 0.00007605 0.00012678 0.00006264 0.00010542 0.00033978 0.00045742 0.00012510 -0.00038372 -0.00022813 -0.00003560 -0.00017766 -0.00006447 0.00076759 0.00004756 0.00044697 0.00004389 0.00002083 -0.00008004 -0.00001934 -0.00000593 0.00001414 -0.00002095 0.00000262 0.00003787 -0.03009944 -0.02922175 0.32421278 0.00010643 -0.00011544 0.00019515 -0.00008621 -0.00007185 0.00008343 0.00012895 0.00000692 -0.00018153 0.00153657 -0.00170141 -0.00103723 -0.00488372 0.00201153 -0.00030767 0.00158968 0.02828779 -0.00493792 0.00108537 0.00042997 -0.00015623 -0.00002492 0.00000500 0.00000990 -0.04710918 -0.01024610 0.00260605 -0.00102514 -0.00022239 -0.00021338 0.00013027 -0.00011406 -0.00003287 -0.00004188 -0.00007158 -0.00003279 -0.00001646 0.00002448 -0.00002506 0.00019270 -0.00013186 0.00049352 0.00010744 0.00013379 -0.00011227 0.00038360 0.00116534 0.00117981 -0.00006755 -0.00007630 0.00005171 -0.00001335 0.00000775 0.00000609 0.00000447 0.00001291 -0.00000877 0.00000022 -0.00001596 -0.00003164 -0.00090247 -0.00260162 -0.00013328 0.05136372 0.00008494 0.00009453 -0.00001233 0.00009363 0.00008372 -0.00001091 -0.00036607 0.00000609 -0.00004809 -0.00033339 0.00115949 -0.00032487 0.00338317 -0.00008147 0.00106807 0.00007676 -0.01563909 0.00154963 -0.00051354 -0.00069720 -0.00047320 0.00012417 -0.00003809 0.00001480 -0.00879232 -0.29508339 0.05523271 -0.00085339 -0.00073355 -0.00086793 -0.00010489 0.00009311 0.00000710 0.00014626 0.00003516 0.00000656 0.00003230 -0.00001916 0.00000245 0.00005902 -0.00025383 -0.00062345 0.00014516 0.00045203 0.00042498 0.00005922 -0.00046198 -0.00116340 -0.00001927 0.00007280 0.00002552 0.00001958 0.00000661 -0.00004939 -0.00001365 0.00001414 -0.00002953 -0.00000584 0.00001156 0.00002671 -0.00063275 -0.00271874 0.00046801 0.00962474 0.32425387 -0.00008549 -0.00013704 0.00005083 -0.00004794 -0.00001938 0.00006898 0.00015471 0.00011162 0.00013226 -0.00101313 0.00067664 0.00177520 0.00254864 -0.00257675 0.00059400 -0.00079537 -0.01208079 0.00089166 -0.00020681 0.00058522 -0.00014861 -0.00005368 -0.00003492 0.00002183 0.00180222 0.05544061 -0.05929202 -0.00031523 0.00047964 0.00078621 0.00001146 -0.00003160 -0.00006224 -0.00002960 0.00004178 -0.00000562 -0.00000528 -0.00000968 -0.00001232 -0.00024326 0.00005558 -0.00023778 0.00014711 0.00028696 0.00013664 0.00012960 -0.00071618 -0.00077202 0.00004264 0.00002480 0.00009009 -0.00000838 0.00000348 0.00001892 0.00000086 0.00001004 -0.00003118 -0.00000072 0.00000255 -0.00000780 0.00178071 0.03208603 -0.00644809 -0.00360330 -0.05877914 0.06022972 -0.00099525 -0.00109096 -0.00114308 0.00032940 0.00007941 -0.00036960 -0.00004682 -0.00032408 0.00045931 0.00027889 -0.00071313 -0.00150087 0.00050412 -0.00172141 -0.00087412 -0.02366514 -0.01020908 -0.01215919 -0.00241565 0.00335608 0.00348756 0.00003792 0.00002261 -0.00000825 -0.21626847 -0.08159636 -0.09273378 0.00028360 0.00064911 0.00000590 -0.00007767 0.00010240 0.00003669 -0.00050441 0.00037570 0.00027135 0.00004296 0.00005423 0.00013173 0.00042071 0.00009758 0.00093504 0.00080646 0.00097873 0.00033039 0.00048096 0.00013460 -0.00022570 0.00019531 0.00008951 -0.00006238 0.00001409 -0.00001115 -0.00000049 -0.00000623 -0.00003308 0.00005900 -0.00000132 0.00002727 0.00005652 0.00313892 0.00186696 0.00159532 -0.00083298 -0.00047583 -0.00007032 0.23826598 0.00065381 0.00069467 0.00041545 0.00000017 0.00000129 0.00003759 0.00012403 0.00006713 0.00002579 -0.00028260 0.00056565 0.00039935 0.00163472 0.00074675 0.00067825 0.01369993 0.00385200 0.00691411 0.00236356 -0.00199611 -0.00148629 -0.00002735 0.00002305 -0.00001018 -0.08461052 -0.08587751 -0.04615756 -0.00011014 -0.00063625 -0.00065441 -0.00004757 0.00000855 0.00004457 0.00031889 -0.00011388 -0.00011401 -0.00000953 -0.00001334 -0.00002022 -0.00020420 0.00003945 0.00023004 0.00024750 -0.00057813 0.00009394 -0.00017026 0.00003729 -0.00001226 -0.00018418 -0.00001896 -0.00014352 0.00000418 -0.00000823 0.00001015 -0.00000887 -0.00001611 0.00000564 -0.00000197 0.00000549 -0.00000572 0.00385051 0.00087548 0.00221873 -0.02519819 -0.01156258 -0.01485296 0.08851774 0.09312752 0.00047875 0.00001837 0.00034634 -0.00009119 0.00001084 0.00018501 -0.00006036 0.00004473 -0.00010130 0.00082040 0.00050674 0.00094926 0.00008619 0.00005035 0.00060452 0.00924275 0.00391098 0.00298438 0.00116562 -0.00085697 -0.00044906 -0.00001000 -0.00000498 -0.00000375 -0.09501466 -0.04567800 -0.09788560 0.00018278 -0.00014511 0.00009818 -0.00000659 0.00000098 -0.00001069 0.00013227 -0.00007581 -0.00006214 -0.00001928 0.00002878 0.00001211 0.00016884 0.00013531 -0.00022632 0.00003816 0.00028882 0.00024966 0.00010504 0.00009865 -0.00004598 0.00030321 -0.00010132 0.00030798 -0.00001070 -0.00000494 0.00000597 0.00000367 0.00000556 -0.00000627 0.00000798 -0.00000372 -0.00000816 -0.02594996 -0.01323845 -0.01339869 0.00678605 0.00310297 0.00289721 0.10173540 0.05177837 0.10359827 0.00043207 0.00116733 0.00038279 0.00009637 0.00003157 -0.00012486 -0.00019784 0.00004924 0.00019860 0.00007587 0.00015599 -0.00006134 -0.00022094 0.00014995 0.00013132 0.00055889 -0.00078639 0.00088577 -0.00455083 -0.00020039 -0.00172559 0.00006901 -0.00002588 0.00000731 -0.00010908 0.00023202 -0.00048935 -0.24180548 -0.05667268 -0.09900186 0.00031908 0.00012521 0.00019796 0.00075167 0.00027516 0.00002011 0.00003395 -0.00003671 -0.00002235 0.00001159 -0.00001790 -0.00002801 0.00005835 -0.00007801 -0.00010056 0.00005699 -0.00007368 -0.00004245 0.00004462 -0.00024819 0.00041068 0.00002414 -0.00000152 -0.00002805 -0.00000686 -0.00000801 0.00002744 -0.00000412 0.00000498 0.00001275 0.00003214 -0.00000125 0.00001684 0.00022584 -0.00043518 0.00020750 -0.00001851 -0.00025865 0.00003244 0.26282230 -0.00230904 0.00112505 -0.00023756 0.00043844 0.00012320 -0.00023095 -0.00045628 0.00007103 0.00012858 0.00034925 0.00029154 0.00016375 -0.00211399 -0.00015165 -0.00006928 0.00112132 -0.00695878 0.00127635 -0.02819011 -0.00967398 -0.01569204 0.00016946 -0.00000577 -0.00001224 0.00086664 -0.00052169 0.00000511 -0.05469043 -0.06088250 -0.02748662 0.00002993 0.00042722 0.00032324 0.00120141 -0.00020532 -0.00004183 0.00002165 -0.00004710 -0.00001995 -0.00002033 -0.00008175 -0.00011353 -0.00004579 -0.00044961 -0.00063439 0.00001401 0.00003682 0.00015422 0.00025159 0.00136156 0.00041171 0.00001594 0.00000374 -0.00004871 -0.00000744 -0.00000917 0.00002629 -0.00000349 0.00001674 0.00004488 -0.00004911 0.00003301 0.00001828 -0.00015105 0.00048783 -0.00011060 -0.00007178 0.00023975 -0.00002592 0.06157761 0.06947025 -0.00069152 -0.00018561 -0.00003632 -0.00001433 -0.00001935 -0.00036234 -0.00003138 -0.00016672 0.00017678 0.00029719 0.00035864 0.00031136 -0.00009751 0.00006232 0.00042066 0.00013811 0.00007027 0.00034362 0.00298146 0.00115170 0.00038515 0.00003186 0.00002614 0.00005828 0.00030299 0.00004142 0.00019873 -0.09892322 -0.02829687 -0.09715245 0.00027119 0.00010861 0.00001970 0.00050819 -0.00035425 0.00019400 0.00003515 -0.00007294 -0.00002997 0.00003919 0.00004169 0.00001324 0.00000442 -0.00008152 -0.00000074 0.00000822 -0.00006295 -0.00002700 0.00033230 -0.00047512 0.00042942 0.00001698 -0.00001008 -0.00001887 0.00000514 0.00001011 0.00004745 0.00000216 -0.00000601 0.00000013 -0.00006700 -0.00010572 0.00003642 0.00005823 0.00013548 -0.00020224 -0.00001297 0.00012643 0.00000304 0.10874586 0.03099433 0.10085618 -0.00010929 -0.00067663 -0.00044583 0.00012913 0.00002393 -0.00016450 -0.00003766 -0.00002333 0.00006844 -0.00003981 -0.00008830 -0.00004965 0.00016292 0.00009922 0.00004751 0.00016600 0.00054721 -0.00024780 0.00381516 -0.00278385 -0.00321729 0.00002278 -0.00000895 -0.00001568 -0.00163858 -0.00060456 -0.00069477 -0.18975359 0.09693692 0.09138595 0.00038780 0.00006605 0.00023462 0.00063212 -0.00005460 0.00014644 0.00000415 0.00000433 -0.00001828 0.00001653 -0.00000287 0.00002101 0.00001024 0.00005195 0.00003402 -0.00000391 0.00000680 0.00000598 0.00026742 0.00060137 -0.00026560 -0.00000895 -0.00000330 0.00000054 0.00000507 -0.00000883 0.00002750 0.00000690 0.00001082 0.00001946 -0.00002852 0.00010611 0.00003867 -0.00171665 -0.00147668 -0.00050286 0.00004256 -0.00034332 -0.00000777 -0.02021904 0.01333844 0.01377576 0.20837093 -0.00232854 -0.00622605 0.00139840 0.00003625 0.00004057 0.00085164 0.00025959 0.00027699 -0.00015645 -0.00015698 -0.00011029 0.00019019 -0.00012123 0.00006297 -0.00001486 0.00132347 0.00077052 -0.00008602 0.02460146 -0.01431649 -0.01571816 -0.00012033 -0.00004097 0.00002010 0.00011133 -0.00034998 0.00002896 0.09503185 -0.11085943 -0.06004607 0.00159215 -0.00122934 -0.00105613 -0.00020499 0.00012982 0.00019678 0.00001555 0.00000939 -0.00021681 -0.00005931 -0.00003759 -0.00004961 -0.00010315 -0.00002538 0.00000900 0.00002599 0.00013946 0.00008891 0.00006909 0.00141129 0.00047906 -0.00000388 -0.00000688 0.00001634 -0.00002226 0.00001955 -0.00007108 -0.00000194 -0.00001853 -0.00007497 -0.00024493 -0.00018984 0.00026903 -0.00088196 0.00056791 -0.00049588 -0.00001742 0.00049111 0.00014884 -0.00579924 0.00366072 0.00443074 -0.10514147 0.12135028 -0.00036758 0.00082360 0.00073070 -0.00042137 -0.00022597 0.00005572 0.00042026 -0.00007814 0.00018678 0.00004615 -0.00006186 0.00009206 -0.00029454 0.00002081 -0.00011827 0.00061901 -0.00038676 -0.00019092 -0.00310920 0.00222585 0.00043682 -0.00005568 -0.00003658 0.00005418 0.00050875 -0.00084371 0.00072924 0.09043015 -0.06085721 -0.10411918 0.00002292 0.00025235 0.00010787 0.00026776 0.00015202 -0.00006481 -0.00003353 0.00007857 0.00004504 -0.00004768 -0.00002420 -0.00002807 -0.00002668 -0.00006530 0.00000042 -0.00001841 0.00006349 0.00006095 -0.00047083 -0.00037966 0.00052994 -0.00000779 0.00000926 0.00001370 0.00001974 0.00002531 -0.00001438 -0.00000644 -0.00002099 -0.00004763 0.00004070 0.00009594 -0.00012052 -0.00083953 0.00041405 -0.00029810 0.00001045 0.00047520 -0.00009367 -0.01090101 0.00791021 0.00674254 -0.09945304 0.06605119 0.10863029 0.00009396 0.00016063 -0.00057733 -0.00014398 -0.00000449 0.00008439 0.00046190 0.00004456 0.00006153 0.00015309 -0.00020808 -0.00023179 -0.00013507 0.00017224 -0.00014085 0.00037499 0.00005175 0.00125432 -0.00103122 -0.00156216 0.00461475 -0.00005011 -0.00007555 0.00001182 -0.00001208 -0.00018751 0.00017969 -0.04809859 -0.00203629 0.00749312 -0.00004477 -0.00008372 0.00003173 0.00003275 -0.00001958 -0.00014006 -0.00003280 0.00009424 -0.00001193 -0.00007069 -0.00002048 -0.00001228 -0.00001849 0.00003212 0.00005651 0.00001012 0.00008924 -0.00004243 0.00066611 -0.00108353 0.00008183 -0.00002342 0.00001961 0.00002219 0.00000155 0.00002554 -0.00006206 -0.00000091 -0.00000606 -0.00005050 0.00009856 0.00013017 -0.00015804 -0.00013476 0.00017384 0.00015593 -0.00000944 0.00004229 -0.00011903 0.00151979 0.00871314 -0.02771649 -0.00048372 -0.00785910 0.02366741 0.04687724 -0.00030213 0.00132178 0.00044808 0.00100685 0.00015513 0.00015105 -0.00070536 -0.00006797 -0.00066269 -0.00066797 0.00000670 -0.00081659 0.00035804 0.00036682 -0.00003807 0.00091105 0.00165304 0.00097913 -0.00135336 -0.01023121 0.03361581 0.00002442 0.00000577 -0.00015597 -0.00020515 -0.00000001 -0.00013206 -0.00199555 -0.06752831 0.07076126 -0.00005578 0.00026741 -0.00020849 0.00020857 -0.00005576 -0.00015559 -0.00002129 -0.00000422 -0.00017034 0.00006332 -0.00010760 -0.00016132 0.00000915 0.00011234 -0.00007375 -0.00000186 0.00006080 0.00004582 -0.00093895 -0.00700037 0.00016865 -0.00000564 0.00000460 0.00000178 0.00000903 -0.00006614 0.00000402 0.00000689 0.00001950 0.00008039 0.00015849 -0.00007229 -0.00003360 -0.00011045 -0.00004978 0.00003996 -0.00008765 0.00004592 0.00000492 0.00087460 0.00163889 -0.00772072 -0.00057646 0.00448018 -0.01561747 0.00339718 0.07504477 0.00027016 0.00011696 0.00014005 -0.00035099 -0.00075927 -0.00029618 0.00026984 -0.00082479 -0.00010976 0.00030177 0.00012093 0.00024609 0.00011376 -0.00006785 -0.00002139 -0.00043440 0.00022488 0.00033439 0.00007301 0.00154803 -0.00186953 -0.00002137 -0.00001379 0.00003438 0.00019981 0.00030668 0.00012649 0.00735896 0.07224623 -0.28712023 -0.00009535 0.00015196 0.00003682 -0.00000723 0.00012048 -0.00008842 -0.00005449 0.00014737 0.00010247 0.00006038 0.00005906 0.00011295 0.00002698 0.00001351 0.00006097 -0.00000838 -0.00003003 -0.00004147 0.00009265 0.00018706 0.00148531 -0.00000663 0.00000358 0.00000451 0.00002259 0.00000836 0.00000066 -0.00001056 -0.00000732 -0.00001536 -0.00010288 -0.00017812 0.00010911 0.00018351 -0.00009679 -0.00017552 0.00004606 0.00000353 0.00004967 0.00124806 0.00326668 -0.01240676 -0.00072284 0.00380686 -0.01332069 -0.00845243 -0.08035419 0.31262147 0.00001587 -0.00000256 -0.00000175 0.00000067 -0.00000287 -0.00000106 0.00000140 -0.00000435 -0.00000175 0.00000508 -0.00001039 -0.00002164 -0.00000147 -0.00001487 -0.00000114 -0.00001092 0.00001249 0.00001588 -0.00000005 -0.00000940 0.00000485 0.00000092 0.00000054 0.00000291 -0.00000583 0.00000224 0.00000498 0.00000705 0.00002277 0.00000215 0.00000184 -0.00000012 0. 0.00000035 0.00000020 0.00000060 0.00000037 -0.00000066 0.00000030 -0.00000119 0.00000192 -0.00000130 -0.00000261 0.00000136 -0.00000206 -0.00000480 -0.00000420 -0.00000126 -0.00000383 -0.00000418 -0.00000343 0.00000040 0.00000116 -0.00000110 0.00000096 0.00000239 -0.00000182 0.00000069 0.00000089 -0.00000261 -0.00000271 -0.00000029 -0.00000129 -0.00000173 -0.00000031 0.00000143 -0.00000226 0.00000213 0. 0.00000037 0.00000035 0.00000052 -0.00000034 0.00000179 0.00000198 0.00000177 0.00000399 0.00000663 -0.000015868 0.000002559 0.000001751 -0.000000668 0.000002867 0.000001062 -0.000001403 0.000004355 0.000001748 -0.000005085 0.000010388 0.000021640 0.000001473 0.000014870 0.000001144 0.000010922 -0.000012488 -0.000015883 0.000000051 0.000009400 -0.000004849 -0.000000922 -0.000000541 -0.000002907 0.000005833 -0.000002241 -0.000004984 -0.000007046 -0.000022771 -0.000002146 -0.000001843 0.000000123 0.000000007 -0.000000352 -0.000000200 -0.000000597 -0.000000371 0.000000657 -0.000000295 0.000001190 -0.000001919 0.000001303 0.000002608 -0.000001356 0.000002064 0.000004801 0.000004201 0.000001265 0.000003833 0.000004176 0.000003429 -0.000000399 -0.000001158 0.000001098 -0.000000957 -0.000002388 0.000001817 -0.000000693 -0.000000892 0.000002612 0.000002713 0.000000292 0.000001288 0.000001731 0.000000311 -0.000001434 0.000002255 -0.000002126 -0.000000000 -0.000000370 -0.000000347 -0.000000522 0.000000342 -0.000001787 -0.000001981 -0.000001775 -0.000003988 -0.000006630 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 72 C1[X(C10H16)] RCCSD(T) GTBas1 SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test CCSD(T,E4T,FrzG4)/GTBas1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GTBas1 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 182 344 182 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 182 RedAO= T EigKep= 1.32D-03 NBF= 182 NBsUse= 182 1.00D-06 EigRej= -1.00D+00 NBFU= 182 1 Closed 1 1 1 -387.903938919285 -387.955110167649 -0.051171248364 -387.957469077294 -0.002358909645 -387.957858928681 -0.000389851387 -387.957883499840 -0.000024571159 -387.957886117389 -0.000002617549 -387.957886281148 -0.000000163760 -387.957886296556 -0.000000015408 -387.957886298468 -0.000000001911 -387.957886298714 -0.000000000246 -387.957886298760 -0.000000000046 -387.957886298751 0.000000000009 -387.957886299 12 3.874499431235e+02 -2.013679950574e+03 6.825323726678e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1342105796 LenY= 1342072231 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. 0.5742253688e-01 0.3348039544e+00 0.5742253688e-01 -0.1635267922e+00 -0.9791906336e+00 -0.1635267922e+00 0.1204013716e+01 -0.1306244218e+01 -0.38926413051686e+03 (Enter /private/chem/g16E01/g16/l913.exe) CIDS: MDV= 1342177280. Frozen-core window: NFC= 10 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using DD3R+UMP44R for 1st iteration. Using DD4RQ for 2nd and later iterations. Keep R2 and R3 ints in memory in canonical form, NReq=280968868. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 16653 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. CIDS: In Core Option IDoMem= 1. CCSD(T) ======= Iterations= 50 Convergence= 0.100D-06 Produce multiple copies of IABC intergrals Iteration Nr. 1 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. MP4(R+Q)= 0.26673965D-01 T4(AAA)= -0.19120359D-02 T4(AAB)= -0.23698797D-01 Time for triples= 7530.12 seconds. MP4(T)= -0.51221666D-01 Maximum subspace dimension= 5 A-vector RMS= 1.9376790D-03 Max= 9.6298554D-03 conv= 1.00D-05. RLE energy= -1.3547314369 E3= -0.73937198D-01 EUMP3= -0.38933806771D+03 E4(DQ)= -0.60898924D-02 UMP4(DQ)= -0.38934415761D+03 E4(SDQ)= -0.17414936D-01 UMP4(SDQ)= -0.38935548265D+03 E4(SDTQ)= -0.68636602D-01 UMP4(SDTQ)= -0.38940670432D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: DE(Corr)= -1.3529962 E(Corr)= -389.31088254 NORM(A)= 0.12229324D+01 Produce multiple copies of IABC intergrals Iteration Nr. 2 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 2.7505074D-04 Max= 9.1627376D-03 conv= 1.00D-05. RLE energy= -1.3968263018 DE(Corr)= -1.3899197 E(CORR)= -389.34780596 Delta=-3.69D-02 NORM(A)= 0.12399037D+01 Iteration Nr. 3 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.7975884D-04 Max= 2.4422672D-03 conv= 1.00D-05. RLE energy= -1.3984534270 DE(Corr)= -1.3961320 E(CORR)= -389.35401834 Delta=-6.21D-03 NORM(A)= 0.12425095D+01 Iteration Nr. 4 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 5.6498211D-05 Max= 1.4422123D-03 conv= 1.00D-05. RLE energy= -1.3989132938 DE(Corr)= -1.3987126 E(CORR)= -389.35659888 Delta=-2.58D-03 NORM(A)= 0.12431762D+01 Iteration Nr. 5 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.8481656D-05 Max= 4.1541251D-04 conv= 1.00D-05. RLE energy= -1.3990388175 DE(Corr)= -1.3989768 E(CORR)= -389.35686309 Delta=-2.64D-04 NORM(A)= 0.12433291D+01 Iteration Nr. 6 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 6.9332093D-06 Max= 1.3927158D-04 conv= 1.00D-05. RLE energy= -1.3989921430 DE(Corr)= -1.3990091 E(CORR)= -389.35689537 Delta=-3.23D-05 NORM(A)= 0.12433281D+01 Iteration Nr. 7 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 2.1486223D-06 Max= 4.1139979D-05 conv= 1.00D-05. RLE energy= -1.3990009395 DE(Corr)= -1.3990083 E(CORR)= -389.35689463 Delta= 7.35D-07 NORM(A)= 0.12433331D+01 Iteration Nr. 8 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.1008207D-06 Max= 2.7318093D-05 conv= 1.00D-05. RLE energy= -1.3990050739 DE(Corr)= -1.3990058 E(CORR)= -389.35689214 Delta= 2.49D-06 NORM(A)= 0.12433355D+01 Iteration Nr. 9 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 3.4286341D-07 Max= 7.4975904D-06 conv= 1.00D-05. RLE energy= -1.3990066606 DE(Corr)= -1.3990067 E(CORR)= -389.35689302 Delta=-8.77D-07 NORM(A)= 0.12433366D+01 Iteration Nr. 10 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.6821107D-07 Max= 4.3715356D-06 conv= 1.00D-05. RLE energy= -1.3990073718 DE(Corr)= -1.3990072 E(CORR)= -389.35689345 Delta=-4.37D-07 NORM(A)= 0.12433372D+01 Iteration Nr. 11 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 6.2064669D-08 Max= 1.4743036D-06 conv= 1.00D-05. RLE energy= -1.3990076529 DE(Corr)= -1.3990075 E(CORR)= -389.35689383 Delta=-3.78D-07 NORM(A)= 0.12433375D+01 Iteration Nr. 12 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.9998766D-08 Max= 4.3736566D-07 conv= 1.00D-05. RLE energy= -1.3990077177 DE(Corr)= -1.3990077 E(CORR)= -389.35689397 Delta=-1.35D-07 NORM(A)= 0.12433376D+01 Iteration Nr. 13 ********************** DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. A-vector RMS= 1.0655660D-08 Max= 2.2840996D-07 conv= 1.00D-05. RLE energy= -1.3990077378 DE(Corr)= -1.3990077 E(CORR)= -389.35689402 Delta=-5.56D-08 NORM(A)= 0.12433376D+01 CI/CC converged in 13 iterations to DelEn=-5.56D-08 Conv= 1.00D-07 ErrA1= 1.07D-08 Conv= 1.00D-05 Wavefunction amplitudes converged. E(Corr)= -389.35689402 Largest amplitude= 8.39D-02 T4(AAA)= -0.14921612D-02 T4(AAB)= -0.24931802D-01 T5(AAA)= 0.56824926D-04 T5(AAB)= 0.78586185D-03 Time for triples= 11682.86 seconds. T4(CCSD)= -0.52847926D-01 T5(CCSD)= 0.16853736D-02 CCSD(T)= -0.38940805657D+03 Discarding MO integrals. PT26561.300S 2019-02-16T11:32:02.000+01:00 -11.23351 -11.22695 -11.22679 -11.22388 -11.21936 -11.21786 -11.21712 -11.21513 -11.20848 -11.20614 -1.17029 -1.06558 -1.04778 -0.96559 -0.94291 -0.88757 -0.83633 -0.81523 -0.74900 -0.67597 -0.63305 -0.62680 -0.61206 -0.58071 -0.57662 -0.56074 -0.55329 -0.54666 -0.53245 -0.51965 -0.50275 -0.48771 -0.48601 -0.46631 -0.43835 -0.41505 -0.38301 -0.30996 0.18317 0.23113 0.25258 0.26364 0.27294 0.27824 0.29061 0.30142 0.30867 0.31900 0.32127 0.33318 0.33981 0.34898 0.35608 0.36966 0.37996 0.39138 0.40169 0.41478 0.43252 0.45146 0.45925 0.46283 0.48981 0.51684 0.58738 0.62846 0.68454 0.72386 0.72986 0.73696 0.74904 0.76100 0.78200 0.80093 0.82220 0.84044 0.86725 0.89751 0.90430 0.92062 0.92514 0.94267 0.96218 0.97877 1.00003 1.01325 1.02757 1.06009 1.07205 1.08070 1.10055 1.13032 1.13562 1.14290 1.14974 1.16261 1.16534 1.18094 1.18806 1.19292 1.20317 1.20913 1.21616 1.24038 1.24375 1.25296 1.26676 1.27488 1.27939 1.30610 1.34937 1.40353 1.42697 1.46628 1.49516 1.52140 1.61556 1.65650 1.66893 1.72980 1.77077 1.80308 1.85419 1.87762 1.90535 2.01763 2.03287 2.05646 2.07728 2.10577 2.12886 2.14583 2.17626 2.19599 2.21234 2.23568 2.23593 2.27545 2.29851 2.33234 2.34191 2.38729 2.39194 2.44311 2.46352 2.48631 2.51772 2.53088 2.56338 2.61098 2.61918 2.64542 2.66673 2.68888 2.70495 2.72936 2.73784 2.78085 2.80585 2.84062 2.85466 2.89080 2.93556 2.99913 3.01427 3.06818 3.08964 3.15336 3.18205 3.20787 3.35955 3.48803 4.55436 4.61353 4.65724 4.70625 4.73654 4.82379 4.87739 4.96891 5.04295 5.16147 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.349711 -0.257685 0.118850 -0.243809 -0.366926 0.014650 -0.136189 -0.510457 -0.477491 -0.483814 0.170689 0.165917 0.173271 0.183362 0.177780 0.187625 0.159484 0.170893 0.164509 0.168374 0.160067 0.166757 0.157339 0.156439 0.160709 0.169366 -0.00000 0.1591 -0.2610 0.0017 0.3056 -63.6348 -62.2965 -64.5729 -0.2358 0.7475 1.1359 -0.1334 1.2049 -1.0715 -0.2358 0.7475 1.1359 -1.8946 -1.1030 1.2641 -1.0220 1.6176 -2.0310 0.4817 -1.7765 1.2046 -0.4662 -1040.2000 -647.4747 -323.8279 -5.4920 4.8612 -4.7331 1.4781 0.9174 3.1121 -285.1489 -234.9808 -170.3890 1.0550 2.7293 1.3913 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-387.9578863 MP2=-389.2641305 MP3=-389.3380677 MP4D=-389.3708316 MP4DQ=-389.3441576 MP4SDTQ=-389.4067043 MP4SDQ=-389.3554827 CCSD=-389.356894 CCSD(T)=-389.4080566 RMSD=8.065e-09 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 Gaussian 16 72 C1[X(C10H16)] RMP4SDTQ GTBas2 SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test MP4=FrzG4/GTBas2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GTBas2 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484844 222 384 222 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 222 RedAO= T EigKep= 6.81D-06 NBF= 222 NBsUse= 222 1.00D-06 EigRej= -1.00D+00 NBFU= 222 1 Closed 1 1 1 -387.957886298756 -387.962928458458 -0.005042159702 -387.963281410951 -0.000352952493 -387.963300071965 -0.000018661015 -387.963303012387 -0.000002940422 -387.963303292576 -0.000000280189 -387.963303306877 -0.000000014301 -387.963303309250 -0.000000002373 -387.963303309621 -0.000000000371 -387.963303309708 -0.000000000086 -387.963303309703 0.000000000005 -387.963303309698 0.000000000004 -387.963303309704 -0.000000000005 -387.963303310 13 3.874532617121e+02 -2.013420502392e+03 6.822641888855e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1342072546 LenY= 1342022821 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. 0.5925948349e-01 0.3404324934e+00 0.5925948349e-01 -0.1660259316e+00 -0.9885183605e+00 -0.1660259316e+00 0.1207870631e+01 -0.1320570224e+01 -0.38928387353348e+03 (Enter /private/chem/g16E01/g16/l913.exe) CIDS: MDV= 1342177280. Frozen-core window: NFC= 10 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using DD3R+UMP44R for 1st iteration. Using DD4RQ for 2nd and later iterations. Keep R2 and R3 ints in memory in canonical form, NReq=618295195. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24753 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. CIDS: In Core Option IDoMem= 1. MP4(SDTQ) ========= Produce multiple copies of IABC intergrals DD1Dir will call FoFMem 1 times, MxPair= 812 NAB= 406 NAA= 0 NBB= 0. MP4(D)= -0.33326334D-01 MP4(S)= -0.12124507D-01 MP4(R+Q)= 0.27565627D-01 T4(AAA)= -0.20482233D-02 T4(AAB)= -0.24793404D-01 Time for triples= 18722.68 seconds. MP4(T)= -0.53683255D-01 E3= -0.72475271D-01 EUMP3= -0.38935634880D+03 E4(DQ)= -0.57607071D-02 UMP4(DQ)= -0.38936210951D+03 E4(SDQ)= -0.17885215D-01 UMP4(SDQ)= -0.38937423402D+03 E4(SDTQ)= -0.71568470D-01 UMP4(SDTQ)= -0.38942791727D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: E(VAR1)= -0.38891812979D+03 E(CISD,4)= -0.38879572201D+03 Largest amplitude= 1.41D-02 Discarding MO integrals. PT20431.300S 2019-02-16T11:53:23.000+01:00 -11.23792 -11.23253 -11.23066 -11.22851 -11.22361 -11.22159 -11.22001 -11.21839 -11.21345 -11.20911 -1.17475 -1.06997 -1.05151 -0.96891 -0.94625 -0.89098 -0.83997 -0.81914 -0.75268 -0.67969 -0.63672 -0.63016 -0.61541 -0.58418 -0.57987 -0.56320 -0.55638 -0.54932 -0.53546 -0.52251 -0.50608 -0.49114 -0.48920 -0.46971 -0.44179 -0.41857 -0.38662 -0.31348 0.07073 0.07677 0.07989 0.08140 0.09820 0.09915 0.10423 0.10708 0.11393 0.12757 0.13145 0.13524 0.14476 0.15072 0.15682 0.16374 0.17246 0.17749 0.18636 0.19817 0.20214 0.20574 0.21169 0.21973 0.22297 0.23119 0.24661 0.25102 0.25856 0.26262 0.26945 0.28293 0.29025 0.29204 0.29617 0.30754 0.31720 0.32491 0.32977 0.34402 0.34778 0.36195 0.37865 0.37946 0.38791 0.40324 0.40482 0.41560 0.42308 0.43014 0.43979 0.45245 0.46089 0.47348 0.47715 0.49785 0.50533 0.51052 0.51697 0.53067 0.53856 0.54562 0.56375 0.57458 0.59233 0.64292 0.65918 0.70479 0.83726 0.85312 0.88621 0.89658 0.90912 0.92220 0.92991 0.93867 0.95781 0.97831 0.98530 0.99790 1.00120 1.01680 1.02332 1.03988 1.05365 1.05567 1.06058 1.09892 1.10859 1.12235 1.14545 1.17189 1.19888 1.22304 1.23398 1.23940 1.25274 1.26792 1.28334 1.29255 1.29744 1.30077 1.31840 1.32005 1.33993 1.35071 1.39724 1.40579 1.41917 1.42691 1.44280 1.44979 1.45333 1.47879 1.48939 1.49835 1.52819 1.60067 1.67481 1.68936 1.69901 1.75320 1.80157 1.81697 1.87114 1.91720 1.93038 2.04049 2.05625 2.09008 2.10487 2.13481 2.15405 2.16131 2.18690 2.21825 2.22953 2.24896 2.25526 2.31675 2.32373 2.36333 2.37334 2.41880 2.43453 2.48886 2.51192 2.51932 2.54555 2.55472 2.59184 2.64693 2.65747 2.68254 2.70121 2.71739 2.73647 2.76134 2.76874 2.81030 2.82750 2.86698 2.87390 2.93299 2.97548 3.05122 3.06062 3.11307 3.13024 3.18040 3.19877 3.22630 3.37229 3.50028 4.64188 4.71147 4.74210 4.78215 4.80976 4.91853 4.94293 5.00979 5.08682 5.19239 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.717205 -0.318570 0.216113 0.090496 -0.599535 0.402131 -0.027712 -0.791798 -0.688300 -0.766263 0.205369 0.195709 0.204598 0.209630 0.202277 0.205920 0.196527 0.198496 0.198914 0.201158 0.199676 0.200043 0.185046 0.189746 0.193816 0.213720 -0.00000 0.2357 -0.2758 0.0221 0.3634 -64.5668 -63.1060 -65.4678 -0.1321 0.8557 1.2304 -0.1866 1.2742 -1.0876 -0.1321 0.8557 1.2304 -1.1928 -1.0322 1.2441 -0.8086 1.5727 -2.0870 0.8673 -1.9182 1.4558 -0.4273 -1060.1224 -661.2904 -333.6152 -4.4168 5.7464 -4.3028 2.1557 1.6838 3.8173 -291.3278 -240.6798 -175.1830 0.8998 2.8548 1.8551 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-387.9633033 MP2=-389.2838735 MP3=-389.3563488 MP4D=-389.3896751 MP4DQ=-389.3621095 MP4SDQ=-389.374234 MP4SDTQ=-389.4279173 RMSD=8.357e-09 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 Gaussian 16 72 C1[X(C10H16)] RMP4SDTQ GTBas3 SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test MP4=FrzG4/GTBas3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GTBas3 (6D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 360 552 390 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 360 RedAO= T EigKep= 3.38D-04 NBF= 360 NBsUse= 360 1.00D-06 EigRej= -1.00D+00 NBFU= 360 1 Closed 1 1 1 -387.957653452729 -388.002505613879 -0.044852161150 -388.002977054122 -0.000471440243 -388.002994044831 -0.000016990710 -388.002997937097 -0.000003892265 -388.002998175647 -0.000000238550 -388.002998201457 -0.000000025810 -388.002998202367 -0.000000000909 -388.002998202502 -0.000000000136 -388.002998202552 -0.000000000050 -388.002998203 10 3.870697681994e+02 -2.013453412581e+03 6.826408976949e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1341863054 LenY= 1341710513 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. 0.6615224534e-01 0.3880099890e+00 0.6615224534e-01 -0.1908646402e+00 -0.1221808191e+01 -0.1908646402e+00 0.1233010332e+01 -0.1603537472e+01 -0.38960653567440e+03 (Enter /private/chem/g16E01/g16/l913.exe) CIDS: MDV= 1342177280. Frozen-core window: NFC= 10 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using DD3R+UMP44R for 1st iteration. Using DD4RQ for 2nd and later iterations. Two-electron integrals replicated using symmetry. CIDS: In Core Option IDoMem= 1. MP4(SDTQ) ========= Produce multiple copies of IABC intergrals DD1Dir will call FoFJK 5 times, MxPair= 164 NAB= 406 NAA= 0 NBB= 0 NumPrc= 16. DD1Dir: Pass 1 NRAB= 82 NRAA= 0 NRBB= 0 NR= 164. FoFJK: IHMeth= 1 ICntrl= 200 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 940000000 NMat= 164 IRICut= 205 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 200 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 164 NMatS0= 0 NMatT0= 82 NMatD0= 164 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 93.10% of shell-pairs survive, threshold= 0.20 IRatSp=93. DD1Dir: Pass 2 NRAB= 82 NRAA= 0 NRBB= 0 NR= 164. DD1Dir: Pass 3 NRAB= 82 NRAA= 0 NRBB= 0 NR= 164. DD1Dir: Pass 4 NRAB= 82 NRAA= 0 NRBB= 0 NR= 164. DD1Dir: Pass 5 NRAB= 78 NRAA= 0 NRBB= 0 NR= 156. MP4(D)= -0.36944225D-01 MP4(S)= -0.10855002D-01 MP4(R+Q)= 0.41157033D-01 T4(AAA)= -0.27734163D-02 T4(AAB)= -0.33406942D-01 Time for triples= 178551.02 seconds. MP4(T)= -0.72360718D-01 E3= -0.82338801D-01 EUMP3= -0.38968887447D+03 E4(DQ)= 0.42128086D-02 UMP4(DQ)= -0.38968466167D+03 E4(SDQ)= -0.66421938D-02 UMP4(SDQ)= -0.38969551667D+03 E4(SDTQ)= -0.79002911D-01 UMP4(SDTQ)= -0.38976787739D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: E(VAR1)= -0.38911189790D+03 E(CISD,4)= -0.38890232994D+03 Largest amplitude= 5.66D-02 Discarding MO integrals. PT191790.700S 2019-02-16T15:13:59.000+01:00 -11.23576 -11.22920 -11.22793 -11.22633 -11.22198 -11.22057 -11.22048 -11.21825 -11.20952 -11.20917 -1.16817 -1.06361 -1.04611 -0.96404 -0.94145 -0.88593 -0.83480 -0.81337 -0.74707 -0.67358 -0.63071 -0.62447 -0.60979 -0.57833 -0.57428 -0.55901 -0.55099 -0.54439 -0.53020 -0.51729 -0.50032 -0.48532 -0.48377 -0.46393 -0.43574 -0.41391 -0.38168 -0.30947 0.18346 0.22918 0.25078 0.26155 0.27025 0.27571 0.28761 0.29874 0.30571 0.31801 0.31945 0.33090 0.33679 0.34516 0.35238 0.36169 0.37243 0.38361 0.39100 0.39665 0.42265 0.43151 0.44788 0.44972 0.47248 0.50183 0.55430 0.57966 0.60173 0.65216 0.65603 0.66425 0.68788 0.69228 0.70000 0.71003 0.72633 0.74346 0.75681 0.78065 0.78863 0.79899 0.81606 0.82514 0.83551 0.85745 0.86551 0.87998 0.88924 0.90207 0.91235 0.93253 0.94263 0.94785 0.96248 0.96722 0.97497 0.98909 0.99836 1.00360 1.00868 1.02292 1.02867 1.03420 1.05103 1.05426 1.07201 1.08106 1.09301 1.11730 1.12902 1.13112 1.14937 1.15994 1.18983 1.21283 1.24478 1.25505 1.26506 1.31686 1.34539 1.37392 1.39578 1.40455 1.43222 1.45385 1.45947 1.48570 1.51564 1.53444 1.57085 1.60469 1.61576 1.63754 1.64242 1.66300 1.67549 1.68901 1.70546 1.71755 1.74484 1.75666 1.77054 1.77956 1.79537 1.81995 1.83093 1.84973 1.86769 1.90003 1.91733 1.93103 1.94248 1.95908 1.97387 2.02123 2.02474 2.04916 2.08048 2.09463 2.14352 2.15268 2.18435 2.20284 2.21201 2.23797 2.24337 2.25295 2.27863 2.28616 2.30276 2.30748 2.33883 2.36072 2.40770 2.42941 2.49334 2.53960 2.55161 2.57384 2.59119 2.61149 2.63706 2.65178 2.66811 2.69146 2.70430 2.72747 2.74734 2.76117 2.77612 2.79013 2.83174 2.85591 2.86179 2.90809 2.91445 2.97697 3.00442 3.03668 3.07072 3.08602 3.10984 3.11311 3.12522 3.15149 3.16908 3.17593 3.19346 3.21012 3.22176 3.23657 3.24364 3.26409 3.27038 3.28902 3.29721 3.30858 3.31191 3.32525 3.32945 3.34989 3.36444 3.37031 3.37974 3.40786 3.44534 3.45727 3.47725 3.50143 3.51483 3.52166 3.54462 3.55621 3.56889 3.60782 3.61467 3.63064 3.65227 3.66185 3.67017 3.69542 3.70000 3.73129 3.75092 3.76524 3.78867 3.80224 3.82326 3.84450 3.85858 3.86558 3.89283 3.93960 3.94752 3.96092 3.97648 4.00735 4.01738 4.02214 4.03541 4.05039 4.08897 4.09581 4.12559 4.15769 4.17354 4.18116 4.19058 4.23447 4.26784 4.29883 4.33311 4.34309 4.38190 4.39933 4.42689 4.47017 4.50100 4.53610 4.54686 4.56962 4.61755 4.65567 4.69831 4.73380 4.74000 4.77377 4.79461 4.82725 4.83774 4.85648 4.87480 4.88425 4.90622 4.92691 4.95744 4.98911 4.99474 4.99779 5.02690 5.04040 5.04605 5.07236 5.09116 5.10132 5.12233 5.12627 5.13482 5.14607 5.15758 5.17741 5.19225 5.20145 5.22127 5.23170 5.24672 5.25829 5.27273 5.29038 5.30158 5.31112 5.32640 5.33035 5.36326 5.39896 5.41292 5.42764 5.46523 5.48898 5.52843 5.58624 5.64814 5.68003 5.70819 5.78341 5.81147 5.86140 5.91049 5.92436 5.97215 6.00261 6.04499 6.05826 6.10193 6.15893 6.16480 6.30892 6.37748 6.51911 6.63686 7.55936 10.91218 11.46884 11.91040 12.17456 12.27169 12.66577 12.94115 13.05099 13.14819 13.62753 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.293341 -0.221993 0.194519 -0.180040 -0.352324 0.140747 -0.080031 -0.466406 -0.443167 -0.423303 0.131458 0.127358 0.123383 0.124372 0.138928 0.149024 0.110450 0.140302 0.136786 0.139902 0.131935 0.138256 0.131052 0.128548 0.132479 0.141105 -0.00000 0.1503 -0.2467 -0.0023 0.2888 -63.3067 -62.0016 -64.1101 -0.1618 0.7601 1.0943 -0.1672 1.1379 -0.9707 -0.1618 0.7601 1.0943 -1.5238 -0.9204 1.0317 -1.1109 1.6987 -1.6554 0.3503 -1.6668 1.1522 -0.4139 -1034.8295 -643.3490 -321.3898 -4.7848 4.4573 -3.8902 1.0790 1.1250 3.7908 -283.8330 -233.3705 -170.0164 0.5203 2.9957 1.3568 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-388.0029982 MP2=-389.6065357 MP3=-389.6888745 MP4D=-389.7258187 MP4DQ=-389.6846617 MP4SDQ=-389.6955167 MP4SDTQ=-389.7678774 RMSD=9.038e-09 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 Gaussian 16 72 C1[X(C10H16)] RMP2-Full GTlargeXP SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test MP2=Full/GTLargeXP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GTlargeXP (5D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 630 862 700 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 630 RedAO= T EigKep= 1.19D-06 NBF= 630 NBsUse= 630 1.00D-06 EigRej= -1.00D+00 NBFU= 630 1 Closed 1 1 1 -388.032689064746 -388.077763025486 -0.045073960741 -388.078707976597 -0.000944951110 -388.078765630733 -0.000057654136 -388.078773473465 -0.000007842732 -388.078774463024 -0.000000989559 -388.078774571346 -0.000000108322 -388.078774587772 -0.000000016426 -388.078774589108 -0.000000001336 -388.078774589467 -0.000000000358 -388.078774589490 -0.000000000024 -388.078774589542 -0.000000000052 -388.078774589450 0.000000000091 -388.078774589 13 3.876364681378e+02 -2.014046488039e+03 6.825914968278e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1341180066 LenY= 1340689366 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. 0.7042860354e-01 0.4138209806e+00 0.7042860354e-01 -0.2210125160e+00 -0.1680297601e+01 -0.2210125160e+00 0.1246867350e+01 -0.2122322634e+01 -0.39020109722296e+03 PT43126.900S 2019-02-16T16:00:47.000+01:00 -11.23302 -11.22601 -11.22558 -11.22322 -11.21819 -11.21641 -11.21545 -11.21330 -11.20580 -11.20415 -1.17155 -1.06720 -1.04892 -0.96663 -0.94401 -0.88880 -0.83796 -0.81714 -0.75062 -0.67753 -0.63478 -0.62825 -0.61344 -0.58231 -0.57802 -0.56191 -0.55455 -0.54743 -0.53357 -0.52052 -0.50433 -0.48937 -0.48755 -0.46805 -0.44002 -0.41809 -0.38599 -0.31383 0.03835 0.04795 0.04860 0.05293 0.06561 0.06795 0.07114 0.07160 0.07838 0.09204 0.09392 0.09910 0.10044 0.10390 0.11957 0.12182 0.12574 0.13805 0.14788 0.15966 0.16581 0.16999 0.17309 0.17590 0.18407 0.18494 0.18834 0.19415 0.19763 0.19992 0.20486 0.20546 0.20719 0.20872 0.21354 0.21512 0.22149 0.22848 0.23112 0.23844 0.24222 0.24315 0.25151 0.25420 0.26171 0.26361 0.26963 0.27921 0.28059 0.28907 0.29816 0.30061 0.30328 0.31025 0.31907 0.33015 0.34192 0.34585 0.35721 0.36126 0.36602 0.37510 0.37932 0.38489 0.39839 0.40078 0.40862 0.41196 0.41499 0.42739 0.43271 0.43673 0.44561 0.44904 0.45248 0.46018 0.46960 0.47528 0.48415 0.48912 0.49685 0.50411 0.51615 0.52016 0.52432 0.52898 0.53786 0.55122 0.55349 0.56567 0.57926 0.58645 0.60031 0.60893 0.61697 0.62172 0.63180 0.63426 0.65220 0.65855 0.66628 0.67813 0.69047 0.69916 0.71050 0.71802 0.72595 0.72930 0.73667 0.74281 0.74669 0.75178 0.75416 0.76618 0.77295 0.78196 0.78981 0.79603 0.79832 0.80311 0.81431 0.82030 0.82694 0.83060 0.83364 0.84203 0.84885 0.86241 0.86540 0.87280 0.87851 0.89148 0.89987 0.90573 0.90871 0.91144 0.91818 0.93063 0.93697 0.94670 0.95828 0.96531 0.97613 0.98533 0.99982 1.00307 1.01497 1.02238 1.03434 1.05078 1.06562 1.09295 1.10848 1.11178 1.12303 1.13038 1.14180 1.15487 1.16738 1.17425 1.17912 1.19806 1.20797 1.21369 1.21694 1.23370 1.24972 1.26653 1.27310 1.28237 1.29534 1.30520 1.31181 1.31995 1.33003 1.33431 1.35770 1.36584 1.36946 1.38013 1.39294 1.39511 1.40721 1.42423 1.42895 1.44469 1.44843 1.45394 1.45962 1.46397 1.47041 1.49346 1.50681 1.51073 1.51978 1.52868 1.53653 1.54378 1.55976 1.56641 1.56811 1.58901 1.59686 1.60554 1.60607 1.61820 1.62221 1.62678 1.63685 1.65441 1.66439 1.66902 1.67734 1.68252 1.69004 1.71045 1.72277 1.73256 1.73634 1.74976 1.76020 1.77455 1.77833 1.78730 1.79209 1.80646 1.82229 1.82851 1.84144 1.84837 1.85885 1.88370 1.88559 1.90642 1.92103 1.93135 1.94358 1.95190 1.96931 1.99435 2.00379 2.03912 2.05745 2.07387 2.09981 2.12477 2.13131 2.15027 2.16245 2.17202 2.20350 2.22243 2.24136 2.27309 2.29183 2.29833 2.32776 2.33694 2.35655 2.37928 2.40618 2.43136 2.43478 2.44285 2.45762 2.47549 2.48261 2.49548 2.50588 2.54019 2.56730 2.58521 2.59174 2.62266 2.63648 2.66239 2.67261 2.68604 2.70454 2.73809 2.76679 2.78206 2.81074 2.83321 2.84274 2.88617 2.90201 2.96012 3.04570 3.07501 3.09206 3.12198 3.13504 3.14410 3.15007 3.17097 3.20300 3.22069 3.22877 3.24471 3.25109 3.26021 3.26609 3.27580 3.28593 3.29700 3.31379 3.32590 3.33439 3.34435 3.35545 3.36428 3.37601 3.39973 3.41152 3.42243 3.45021 3.46079 3.47495 3.48340 3.49517 3.52920 3.54173 3.54735 3.56348 3.56921 3.57941 3.58301 3.59806 3.62098 3.63288 3.64994 3.66078 3.66581 3.67284 3.68862 3.69687 3.71139 3.74199 3.75851 3.77617 3.80712 3.81675 3.82461 3.83770 3.84817 3.86795 3.90650 3.90827 3.92070 3.93098 3.95232 3.97522 3.97601 4.00682 4.04298 4.04465 4.06236 4.08909 4.09591 4.15169 4.16786 4.17528 4.17973 4.19902 4.21678 4.23692 4.25723 4.27595 4.30447 4.32978 4.33341 4.35980 4.38209 4.39191 4.40160 4.42173 4.43727 4.45190 4.49080 4.53646 4.55487 4.57211 4.60845 4.63665 4.66272 4.68161 4.69288 4.69452 4.70581 4.72414 4.72486 4.73060 4.74044 4.75655 4.76285 4.77108 4.78152 4.78679 4.79897 4.80679 4.82913 4.84166 4.84434 4.88745 4.89390 4.91585 4.92797 4.93150 4.96502 4.96916 4.97967 5.00236 5.03214 5.04590 5.05088 5.06700 5.08445 5.09515 5.12218 5.13720 5.16493 5.17983 5.19072 5.21675 5.23511 5.25269 5.32857 5.35331 5.46978 5.58486 5.61207 5.66716 5.75664 5.79586 5.89163 5.93152 5.96509 6.01074 6.09905 6.13301 6.15136 6.15725 6.19165 6.21369 6.23284 6.24347 6.25323 6.27488 6.29085 6.33039 6.46210 7.65981 7.67234 7.70918 7.71601 7.73779 7.75503 7.76868 7.79308 7.80447 7.83115 7.86416 7.86696 7.87661 7.91396 7.96093 8.00955 8.01833 8.05521 8.07297 8.09761 8.12091 8.14241 8.16635 8.22657 8.23799 8.25751 8.28901 8.35639 8.40200 8.41974 8.45101 8.47904 8.54033 8.55964 8.58787 8.59216 8.60106 8.64559 8.67946 8.74072 8.82350 8.84510 8.89442 8.91366 9.01692 9.07002 9.17039 9.28301 9.48878 9.62324 25.34129 25.47885 25.51877 25.56215 25.63605 25.65792 25.67548 25.83181 25.86589 26.78680 28.53607 28.68970 28.82137 28.91782 28.94697 29.01693 29.02950 29.05635 29.07721 29.10367 29.11174 29.13566 29.14627 29.16348 29.18428 29.23234 29.24160 29.25148 29.32842 29.42127 29.51744 29.61543 29.63621 29.76047 29.85619 30.04838 30.16367 30.22284 30.32900 30.73189 45.02145 45.03208 45.04312 45.04814 45.05427 45.06254 45.06713 45.07674 45.07918 45.09016 45.10056 45.10213 45.11152 45.13061 45.13932 45.14451 45.15239 45.16464 45.18406 45.19428 45.19859 45.20765 45.22217 45.22817 45.23836 45.24567 45.25143 45.26877 45.28158 45.28961 45.29638 45.30638 45.31452 45.32591 45.33033 45.33620 45.34531 45.35632 45.37706 45.39314 45.42513 45.44032 45.44550 45.45851 45.48545 45.54540 45.55506 45.59294 45.63329 45.68624 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.333840 0.002304 -0.312347 0.494232 -0.723344 0.225079 0.040242 -0.665669 -0.240800 -0.665401 0.147919 0.115050 0.150410 0.174175 0.131762 0.147362 0.126605 0.109144 0.138220 0.140672 0.123296 0.145768 0.115494 0.140751 0.121293 0.151624 -0.00000 0.2397 -0.2760 0.0059 0.3656 -64.0688 -62.6601 -64.9537 -0.0619 0.8520 1.2257 -0.1746 1.2341 -1.0595 -0.0619 0.8520 1.2257 -0.7895 -0.8935 0.9513 -0.8064 1.3737 -1.9751 0.8437 -1.8314 1.3267 -0.4059 -1051.2150 -654.9079 -330.6832 -3.9967 5.8907 -3.7868 2.0903 1.6669 4.3777 -288.6425 -238.3257 -173.9949 0.8034 2.6600 1.9454 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-388.0787746 MP2=-390.2010972 RMSD=3.273e-09 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 Gaussian 16 72 C1[X(C10H16)] RHF GFHFB1 SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test HF/GFHFB1 SCF=Tight 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GFHFB1 (5D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 830 1218 996 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 830 RedAO= T EigKep= 7.60D-06 NBF= 830 NBsUse= 830 1.00D-06 EigRej= -1.00D+00 NBFU= 830 1 Closed 1 1 1 -388.102765920375 -388.108664423565 -0.005898503191 -388.108697193939 -0.000032770373 -388.108697455308 -0.000000261369 -388.108697508139 -0.000000052831 -388.108697511421 -0.000000003282 -388.108697511767 -0.000000000345 -388.108697511803 -0.000000000036 -388.108697512 8 3.876144525306e+02 -2.014077855729e+03 6.826149572018e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1340169246 LenY= 1339176234 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. PT14485.600S 2019-02-16T16:15:57.000+01:00 -11.23346 -11.22624 -11.22616 -11.22371 -11.21874 -11.21694 -11.21600 -11.21396 -11.20610 -11.20486 -1.17131 -1.06689 -1.04870 -0.96646 -0.94386 -0.88863 -0.83785 -0.81698 -0.75051 -0.67749 -0.63471 -0.62819 -0.61343 -0.58229 -0.57799 -0.56192 -0.55458 -0.54743 -0.53360 -0.52053 -0.50430 -0.48935 -0.48756 -0.46803 -0.43996 -0.41809 -0.38600 -0.31393 0.03765 0.04534 0.04925 0.05016 0.06563 0.06666 0.06888 0.07448 0.07628 0.09010 0.09801 0.10163 0.10343 0.10902 0.11051 0.11608 0.12801 0.13713 0.13964 0.14338 0.14849 0.15193 0.15273 0.15695 0.16179 0.16810 0.17178 0.17464 0.18082 0.18765 0.18900 0.19561 0.19755 0.20257 0.20596 0.20981 0.21450 0.21962 0.23566 0.24263 0.25666 0.26957 0.27489 0.28075 0.28695 0.29094 0.30020 0.30459 0.31038 0.31684 0.32080 0.32864 0.33741 0.34076 0.34821 0.36028 0.36995 0.37624 0.37705 0.38299 0.38768 0.39207 0.39446 0.40283 0.41493 0.42046 0.42150 0.42863 0.43555 0.44051 0.44542 0.44880 0.46439 0.47320 0.48378 0.50100 0.50651 0.50764 0.51818 0.52610 0.53512 0.54892 0.55074 0.55924 0.56648 0.57421 0.58837 0.59088 0.59413 0.60170 0.60562 0.61211 0.61931 0.62463 0.63588 0.63921 0.64401 0.64559 0.65408 0.66384 0.66692 0.67524 0.68060 0.68884 0.69736 0.70405 0.70762 0.71912 0.72682 0.75184 0.75325 0.75945 0.77699 0.78276 0.78896 0.79361 0.80020 0.82004 0.82710 0.83545 0.84575 0.85768 0.86680 0.87645 0.88655 0.89932 0.90285 0.90869 0.91893 0.93244 0.94865 0.96286 0.98090 0.98163 0.98207 0.99977 1.00548 1.01665 1.02825 1.03792 1.04402 1.04907 1.05940 1.06504 1.07510 1.08144 1.08312 1.09450 1.10039 1.10948 1.11568 1.12357 1.12868 1.13391 1.14529 1.15289 1.16728 1.17438 1.18049 1.18563 1.19377 1.20107 1.21422 1.22963 1.24668 1.26456 1.27101 1.29142 1.29930 1.30335 1.32221 1.32504 1.33291 1.33707 1.34806 1.36444 1.37165 1.39392 1.39990 1.42574 1.43641 1.44398 1.45158 1.46329 1.48012 1.49579 1.49741 1.51943 1.52674 1.53109 1.54979 1.55769 1.57002 1.58257 1.58539 1.59367 1.61430 1.62314 1.63056 1.63462 1.64946 1.65510 1.66503 1.66882 1.68109 1.68400 1.70137 1.70581 1.71195 1.71705 1.73183 1.74188 1.75385 1.76848 1.77542 1.77920 1.78434 1.79314 1.79774 1.80707 1.80817 1.81908 1.82527 1.83937 1.85138 1.85322 1.86444 1.86955 1.87823 1.89682 1.90827 1.91381 1.93207 1.93769 1.94697 1.96425 1.97182 1.98456 1.99057 2.00048 2.00271 2.01625 2.02655 2.03682 2.04521 2.05619 2.06150 2.07543 2.08779 2.09729 2.10250 2.12586 2.12958 2.13633 2.14862 2.15218 2.15885 2.17139 2.17753 2.18490 2.18915 2.19567 2.20494 2.21880 2.22153 2.23068 2.23834 2.24279 2.25286 2.27141 2.28191 2.28696 2.29296 2.30330 2.31238 2.31721 2.32563 2.33105 2.33446 2.34479 2.35159 2.36153 2.36988 2.38272 2.38643 2.40282 2.41110 2.42680 2.44028 2.45512 2.45770 2.46742 2.47814 2.48775 2.49235 2.50422 2.51840 2.52848 2.53170 2.54415 2.55226 2.57315 2.57690 2.58804 2.59752 2.60688 2.62367 2.63665 2.65044 2.66716 2.67995 2.68486 2.69930 2.70631 2.72397 2.73746 2.73921 2.76256 2.77591 2.78933 2.79800 2.80800 2.82111 2.82488 2.86410 2.88507 2.89148 2.90037 2.92567 2.94191 2.95555 2.96727 2.98060 2.98988 3.01980 3.03173 3.04093 3.06194 3.07770 3.08902 3.11374 3.12764 3.14785 3.16204 3.17742 3.18836 3.19478 3.21209 3.24019 3.24578 3.26213 3.26494 3.30439 3.32154 3.32845 3.35090 3.35662 3.38553 3.39817 3.40625 3.41718 3.42863 3.44494 3.45642 3.47452 3.49428 3.50643 3.52169 3.53369 3.54640 3.57251 3.58070 3.60094 3.61347 3.64434 3.65743 3.66775 3.69544 3.72348 3.73556 3.74768 3.76158 3.77933 3.78259 3.80214 3.82536 3.84545 3.85176 3.87238 3.88302 3.89853 3.91695 3.93492 3.94314 3.95577 3.97412 3.99701 4.00765 4.02545 4.03497 4.05778 4.06862 4.07386 4.10427 4.13039 4.13482 4.17957 4.19451 4.20083 4.21451 4.23883 4.24632 4.25396 4.26276 4.27513 4.28788 4.29411 4.29725 4.30868 4.32560 4.32995 4.33486 4.34491 4.35458 4.36648 4.37375 4.38158 4.39104 4.40412 4.41611 4.42015 4.42699 4.44442 4.46773 4.46936 4.49007 4.50988 4.51486 4.52263 4.52792 4.53913 4.54708 4.55367 4.55677 4.56328 4.57158 4.57897 4.58680 4.60243 4.61584 4.62039 4.63069 4.63776 4.65007 4.66171 4.66970 4.68038 4.69521 4.70094 4.71262 4.72356 4.73213 4.73873 4.76039 4.76654 4.78565 4.79415 4.80252 4.81718 4.82592 4.84804 4.85315 4.89140 4.89366 4.89743 4.90982 4.91079 4.93247 4.93519 4.95555 4.96146 4.97099 4.98056 4.98986 5.01891 5.02927 5.03086 5.03970 5.05501 5.06579 5.07000 5.09351 5.10199 5.12208 5.13030 5.13857 5.17191 5.17951 5.18393 5.18749 5.21261 5.22348 5.23585 5.25298 5.26893 5.27699 5.28082 5.29204 5.31033 5.31292 5.32317 5.34368 5.36771 5.39905 5.41383 5.42610 5.43089 5.46630 5.48073 5.49349 5.53290 5.54348 5.56699 5.57761 5.58422 5.60095 5.62032 5.63686 5.64178 5.65378 5.66275 5.67056 5.68600 5.69791 5.71152 5.74035 5.75496 5.77567 5.79568 5.82507 5.83587 5.85718 5.88621 5.89373 5.93007 5.95273 5.98224 6.02479 6.03035 6.03512 6.05684 6.06613 6.09025 6.09854 6.13031 6.13641 6.16351 6.17178 6.18083 6.21170 6.22504 6.22984 6.23548 6.25022 6.25627 6.26326 6.27024 6.28524 6.30596 6.31695 6.32939 6.33943 6.34426 6.35577 6.37092 6.37514 6.39000 6.41624 6.42151 6.43249 6.44652 6.46096 6.47196 6.47698 6.49164 6.50081 6.51626 6.52161 6.53961 6.54281 6.54858 6.57599 6.57725 6.58547 6.60891 6.61903 6.62269 6.62629 6.64283 6.66109 6.66958 6.67697 6.69264 6.70865 6.71577 6.72425 6.74062 6.75441 6.76032 6.77429 6.78506 6.80070 6.80559 6.82791 6.84212 6.84600 6.86049 6.87996 6.89810 6.92042 6.92930 6.93928 6.95799 6.98394 6.99249 7.01014 7.01924 7.02710 7.04589 7.04693 7.06047 7.07729 7.08326 7.09722 7.11906 7.13688 7.15227 7.16121 7.16302 7.17655 7.19550 7.20941 7.21341 7.21899 7.23542 7.24221 7.25143 7.26501 7.27983 7.29435 7.30683 7.31600 7.32502 7.33069 7.35519 7.39530 7.40153 7.40977 7.41046 7.42353 7.43294 7.44816 7.47025 7.49040 7.50088 7.53630 7.54449 7.55194 7.57214 7.57702 7.57769 7.59525 7.60206 7.61984 7.62511 7.64067 7.64778 7.66077 7.66989 7.67979 7.68397 7.70227 7.70767 7.72104 7.72933 7.74617 7.75692 7.76017 7.77118 7.77546 7.79590 7.80697 7.82538 7.83351 7.83988 7.86717 7.87923 7.88435 7.90389 7.93320 7.93901 7.97363 7.98155 7.98610 8.00940 8.04958 8.06554 8.08254 8.08657 8.09782 8.13060 8.14172 8.15016 8.16958 8.18666 8.20421 8.21261 8.23862 8.25919 8.28020 8.29533 8.32301 8.34770 8.35745 8.37978 8.41686 8.42294 8.45474 8.46956 8.50149 8.53544 8.53751 8.55593 8.58222 8.59852 8.60922 8.64856 8.66517 8.70691 8.79144 8.83015 8.85496 8.88222 8.90253 8.93490 8.98215 9.05964 9.14082 9.18097 9.28919 9.31694 9.37806 9.39398 9.40140 9.41273 9.43575 9.47461 9.52913 9.54310 9.65120 9.67460 9.71461 9.72955 9.83067 9.90872 10.10887 10.30693 10.33359 10.34066 10.42518 10.47426 10.48169 10.49461 10.50989 10.52692 10.56196 10.57664 10.61463 10.67100 10.69294 10.70711 10.73262 23.84425 24.07887 24.11569 24.22622 24.27511 24.50587 24.90559 24.98402 25.07471 25.41193 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.118118 -0.210807 -0.095749 -0.066920 -0.205861 0.150989 -0.082923 -0.250975 -0.289236 -0.295529 0.079816 0.087473 0.094395 0.088345 0.098857 0.089661 0.099051 0.095904 0.092692 0.097835 0.095631 0.091600 0.086201 0.085611 0.083768 0.098288 -0.00000 0.2390 -0.2750 0.0062 0.3644 -64.0540 -62.6607 -64.9300 -0.0629 0.8470 1.2134 -0.1724 1.2208 -1.0484 -0.0629 0.8470 1.2134 -0.7920 -0.9140 0.9128 -0.8019 1.4150 -1.8613 0.8031 -1.8103 1.3016 -0.3668 -1050.9923 -654.8145 -330.8953 -4.0360 5.8650 -3.7981 2.0391 1.6630 4.4206 -288.6439 -238.1902 -174.1021 0.7250 2.6960 1.8801 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-388.1086975 RMSD=5.536e-09 Dipole=0.1326858,0.0053496,-0.0540132 Quadrupole=0.9604083,-1.4206958,0.4602875,-0.0557299,0.5585609,-0.2122448 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 Gaussian 16 72 C1[X(C10H16)] RHF G4 GFHFB2 G4 SP #P Geom=AllCheck Guess=TCheck SCRF=Check Test HF/GFHFB2 SCF=Tight Mixed #p opt=calcall freq g4 test integral=ultrafine scf=tight 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; ? 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 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /private/chem/g16E01/g16/l101.exe) Structure from the checkpoint file: "/home/qnt/efratp/g16/20G4.chk" GFHFB2 (5D, 7F) 0.10000e-02 0.10000e-05 F 555.7397484843 1334 1994 1716 38 38 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 26 26 26 1.00e+00 60 F 0.000000 1.508278 0.000000 2.496207 1.337061 0.000000 2.902983 2.455126 1.490318 0.000000 2.992681 3.112832 2.595763 1.524809 0.000000 2.555788 2.930878 2.594448 1.519954 1.506833 0.000000 1.548363 2.546402 2.925070 2.593440 2.630744 1.532641 0.000000 3.901409 2.497972 1.504356 2.547789 3.757084 3.930510 4.396820 0.000000 3.945509 4.364883 3.881338 2.591944 2.562418 1.519182 2.587624 5.018382 0.000000 2.527901 3.199501 3.563251 3.407719 3.922417 2.539646 1.539980 4.822207 3.034250 0.000000 1.098635 2.149984 3.031670 3.305254 2.908376 2.938096 2.180870 4.394182 4.346307 3.454502 0.000000 1.096135 2.146169 3.342018 3.912494 4.073108 3.481979 2.165390 4.616475 4.733543 2.627942 1.742351 0.000000 2.232732 1.087070 2.099800 3.447866 4.136128 4.013870 3.489100 2.712775 5.429092 3.933533 2.760321 2.438959 0.000000 3.955946 3.373812 2.188260 1.086773 2.227548 2.231814 3.492246 2.679495 2.727822 4.055595 4.391328 4.925132 4.271410 0.000000 4.058523 4.167379 3.496067 2.247677 1.085266 2.227093 3.537635 4.442301 2.698661 4.760190 3.894430 5.127304 5.173075 2.510264 0.000000 2.702844 2.923066 2.754818 2.234656 1.083698 2.253047 2.838681 3.934661 3.496482 4.294049 2.262329 3.751568 3.821998 3.096549 1.819732 0.000000 2.152833 3.453459 3.921610 3.453743 3.048030 2.142516 1.098805 5.417311 2.857909 2.146357 2.373143 2.550562 4.336804 4.332118 3.797429 3.126080 0.000000 4.143999 2.636815 2.161064 3.484911 4.604245 4.740663 4.923866 1.093284 5.926204 5.257818 4.638123 4.659478 2.389008 3.745565 5.376127 4.596395 5.938430 0.000000 4.536060 3.225111 2.159223 2.836870 4.252971 4.181292 4.750752 1.097899 4.999457 4.898576 5.177173 5.206956 3.488520 2.613536 4.836031 4.658235 5.816760 1.773667 0.000000 4.531901 3.222266 2.158718 2.826945 3.771405 4.316082 5.014262 1.097685 5.357875 5.649678 4.809915 5.358362 3.476756 2.800012 4.256281 3.904371 5.952822 1.774696 1.757931 0.000000 4.291812 5.017023 4.736455 3.501045 3.087318 2.169309 2.843972 5.983825 1.097065 3.343834 4.549276 4.980406 6.078392 3.763118 3.125233 3.856226 2.679437 6.848794 6.044085 6.310829 0.000000 4.309364 4.625254 4.144464 3.043454 3.449936 2.182735 2.909673 5.162032 1.094164 2.768555 4.926123 4.949723 5.617663 3.022735 3.685205 4.376015 3.315725 6.026660 4.944256 5.650362 1.769989 0.000000 4.719527 4.928301 4.193425 2.741247 2.645976 2.164286 3.522419 5.119785 1.094459 4.057360 5.019142 5.612027 5.993391 2.523914 2.376574 3.691174 3.818378 6.128576 5.039394 5.263690 1.767129 1.763715 0.000000 2.728380 3.570743 4.246633 4.336802 4.764109 3.489193 2.177346 5.483738 4.053191 1.094868 3.622720 2.368770 4.083042 5.066370 5.660170 4.951540 2.493776 5.739895 5.631996 6.370670 4.203973 3.800574 5.104991 0.000000 3.496004 4.192242 4.354299 3.886556 4.312613 2.820250 2.198764 5.568325 2.727803 1.092941 4.311601 3.646693 4.986622 4.345745 4.966651 4.852344 2.492061 6.116944 5.506449 6.341062 2.871797 2.231908 3.769881 1.762647 0.000000 2.814444 2.937090 3.114322 3.188243 4.104930 2.802715 2.185185 4.138549 3.351200 1.094733 3.865010 2.968868 3.567336 3.686827 4.960116 4.546273 3.067838 4.534738 4.063404 5.061883 3.943301 2.917384 4.222103 1.769589 1.770908 0.000000 C10H16 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 0 120.107 AuxInfo=1/0/N:8,10,9,2,1,5,3,7,4,6/CRV:4.3,7.3/rA:26CC3C3CCCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s4s5;s1s6;s3;s6;s7;s1;s1;s2;s4;s5;s5;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;; 1.8070337 1.2397720 0.9640136 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= 1334 RedAO= T EigKep= 1.79D-06 NBF= 1334 NBsUse= 1334 1.00D-06 EigRej= -1.00D+00 NBFU= 1334 1 Closed 1 1 1 -388.113584801143 -388.114668046365 -0.001083245221 -388.114672708109 -0.000004661744 -388.114672750592 -0.000000042483 -388.114672761537 -0.000000010945 -388.114672761922 -0.000000000386 -388.114672761860 0.000000000062 -388.114672762 7 3.876350719239e+02 -2.014116462888e+03 6.826269697179e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 1342177280 LenX= 1336247514 LenY= 1333301142 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. GINC-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A MP2/GTBas1=-389.2641305 MP4/GTBas1=-389.4067043 CCSD(T)/G3Bas1=-389.4080566 MP2/GTBas2=-389.2838735 MP4/GTBas2=-389.4279173 MP2/GTBas3=-389.6065357 MP4/GTBas3=-389.7678774 HF/GTLargeXP=-388.0787746 MP2/GTLargeXP=-390.2010972 HF/GFHFB1=-388.1086975 HF/GFHFB2=-388.1146728 G4=-390.3656629 FreqCoord=-0.0185845458,-0.0339615613,0.0383957492,0.0055558174,-0.0154836236,2.8884660829,2.1472624353,0.0205940726,4.2285759066,4.644067225,0.0731483262,2.9267648082,5.1362175979,2.107620538,0.9464639199,4.776995715,-0.5987648514,0.13732852,2.2924878008,-1.4151457579,-1.1073136556,2.1932967269,0.0488078618,7.0708841397,7.1408476135,-1.9531181777,-0.7680112675,1.9095789113,-4.2948281025,-0.9349099628,-0.1073997769,1.9089137033,-0.6879756877,-1.7466145668,-0.9463329067,-0.6487497001,-1.8037008954,0.0019654956,3.8612415277,6.2514501189,-0.4646083845,4.0864345953,7.0278283391,2.8904414299,0.8239694005,3.6444965482,3.4753788208,0.6336281992,2.3917835332,-0.9114361157,-3.1192834786,0.2854191448,0.0266016134,7.8632816133,3.2211363127,-1.5901619828,7.8204325486,3.1725228166,1.7313241565,7.7871749956,7.3767608456,-1.7462006379,-2.8172779485,7.0975508505,-3.9753903508,-0.3392946677,8.8273609687,-1.1661009675,0.1341223141,0.1250997954,-4.8369809591,-1.830715782,3.4175704896,-5.3387338253,-1.8846084844,1.8425336153,-4.9150140202,1.0375456925 PG=C01 [X(C10H16)] NImag=0 0.51583521 0.04641274 0.53104246 0.04818536 -0.01584721 0.47219928 -0.08937224 0.00175287 0.00076446 0.80167132 -0.00162917 -0.06880205 0.00186706 0.00202774 0.13903036 -0.00333824 -0.00225271 -0.20158668 0.07965117 0.00480697 0.60459136 0.00520730 -0.00179759 -0.01183477 -0.40170550 -0.00264398 -0.17996135 0.72727212 0.00090962 0.00240543 -0.00026846 -0.00420476 -0.05639331 -0.00402910 0.00812342 0.18163459 -0.02903511 0.00076688 -0.02332631 -0.18753700 -0.00353278 -0.22047858 0.14030441 0.00005193 0.61983333 0.00015906 0.00134438 0.00181745 -0.04097332 -0.00028167 0.01002639 -0.19385782 0.00012491 0.05181547 0.59746170 0.00094598 -0.00515864 0.00134692 -0.00348127 0.00475422 0.00030463 0.00433254 -0.06380471 0.00133178 -0.05927074 0.25434076 0.00092753 -0.00192475 -0.00230253 -0.00187314 -0.00007701 0.01495500 0.03589667 0.00287589 -0.10852051 0.04786152 -0.09495152 0.55379323 -0.00069403 -0.00226402 0.00024379 -0.00267223 -0.00080811 0.00319498 -0.00901872 -0.02630827 0.00735171 -0.06743491 -0.00771757 0.01887952 0.66223365 -0.00093687 0.00135467 -0.00048802 0.00040282 0.00133159 0.00081876 -0.00385024 -0.00032148 -0.00053096 -0.01028027 -0.10293827 0.11607644 -0.01665272 0.58474673 0.00016082 0.00206943 0.00119254 -0.00635195 -0.00058396 0.00042112 0.01515379 0.01172172 -0.01319655 0.00371063 0.06046064 -0.09303030 0.01084517 -0.07243366 0.22640598 -0.03118147 -0.00291391 -0.00628782 0.00080996 -0.00226901 -0.00229589 0.00442820 0.01840486 0.02197906 -0.06998251 0.00793695 -0.00213766 -0.07377246 -0.00976371 -0.00660336 0.51161807 0.01110794 0.00575252 0.00854212 0.00143198 0.00138307 -0.00081927 -0.00393970 -0.00089760 0.00551576 0.01222064 -0.03127088 -0.06615399 -0.01853290 -0.19100189 -0.02877571 -0.02190760 0.44647475 0.00767267 0.00771120 0.00984810 -0.00550368 0.00193159 -0.00153643 0.01397188 -0.00361835 -0.01728705 -0.00197393 -0.00984126 -0.17019880 -0.01659100 -0.07835168 -0.03516170 0.01418842 0.14244469 0.42750283 -0.12581486 0.02863224 0.01903742 0.00017265 -0.00142976 0.01333249 -0.00027265 -0.00155893 -0.00232881 0.00361686 -0.00361970 -0.00441596 -0.00211356 -0.00479327 -0.00388507 -0.14628731 -0.01543217 -0.03307713 0.44593702 0.03186301 -0.09340535 -0.01503970 -0.00225067 0.00070802 -0.00294060 0.00069077 0.00089433 -0.00087962 0.00582315 -0.00244910 0.00242116 -0.02720738 -0.00981638 -0.01462901 -0.01893571 -0.08122618 -0.01573544 0.00056202 0.45584999 0.02487723 -0.01905557 -0.08997880 0.02919168 -0.01407722 -0.01850666 0.00004538 0.00244670 0.00329191 -0.02725286 -0.01066848 -0.02068956 0.00672504 0.00032068 -0.00249977 -0.03692766 -0.01339837 -0.09299195 -0.00420152 -0.02809890 0.57289892 -0.00368379 -0.00003081 -0.00036736 0.00061159 -0.00081252 -0.03061862 -0.08473367 -0.00021166 0.00392359 0.00032434 0.00091527 0.03023253 -0.00123896 0.00063987 0.00092745 -0.00389709 -0.00069598 0.00129725 -0.00110363 0.00035157 -0.00034842 0.57906528 0.00089574 0.01358583 -0.00046914 -0.00139681 0.00662713 -0.00060466 0.00036282 -0.07242586 -0.00085931 -0.00010878 0.00348173 0.00226205 0.00011674 -0.00079034 0.00007882 -0.00036950 0.00032722 -0.00204618 0.00027119 -0.00035341 0.00099315 0.00130332 0.52377480 -0.00050607 -0.00048387 0.00199784 -0.00549917 -0.00072050 -0.02536502 -0.00248790 -0.00085625 -0.21011177 0.00539275 0.00004915 -0.01864698 -0.00079710 -0.00050668 0.00028234 0.00075167 0.00027136 0.00081498 -0.00003360 0.00007551 -0.00002730 -0.01301730 -0.00086588 0.47950973 -0.00254992 -0.00281993 -0.00251584 0.00044455 0.00016573 -0.00042653 -0.00125073 -0.00046150 -0.00035622 -0.00259281 0.00348654 0.00373820 0.00259066 0.00190884 0.00142390 -0.15989828 0.04776893 0.02975496 -0.02581230 0.01134513 0.00819082 0.00039818 0.00008449 -0.00001164 0.50219431 -0.00254930 -0.00098618 -0.00114741 -0.00018702 -0.00001138 -0.00039125 0.00097984 0.00097439 0.00183066 -0.00691724 -0.00062382 0.00033362 0.02754163 -0.02330642 -0.01192655 0.04467177 -0.09974626 -0.02123815 -0.00532135 0.00604177 0.00440977 -0.00062608 -0.00009511 0.00000205 0.03797384 0.54882303 -0.00248775 -0.00206726 -0.00260849 0.00118541 0.00039483 -0.00042659 -0.00343582 -0.00419907 -0.00196339 0.02839264 -0.01760007 -0.01577059 -0.00546749 0.00175566 -0.00185027 0.02813893 -0.02006214 -0.08357265 -0.01092894 0.00771949 0.00607090 0.00113132 0.00023325 -0.00017584 0.03120012 -0.00689638 0.54841199 0.00030625 0.02755891 -0.00165045 0.00083085 0.00071313 -0.00102834 -0.00152511 -0.00004666 -0.00010251 0.00151452 0.00074069 0.00054428 -0.00550226 -0.00035750 -0.00081982 -0.00560670 -0.03165998 0.00039578 -0.07702470 -0.01343246 0.00177710 0.00030860 0.00019217 -0.00007073 -0.00072147 -0.00089622 -0.00055808 0.57164481 0.00553570 -0.02369554 -0.00182084 -0.00129185 -0.00076958 -0.00032952 0.00100603 -0.00093792 -0.00038221 0.00107372 0.00061836 0.00073887 -0.00021116 0.00106779 0.00071313 -0.00984773 -0.01311057 -0.00376936 -0.00988804 -0.16957541 0.01048554 -0.00003567 -0.00008521 0.00008993 -0.00080453 0.00134226 -0.00027584 -0.02213877 0.45752253 -0.00097955 -0.01502817 0.00170834 0.00060780 -0.00080397 0.00114612 -0.00079447 0.00032645 -0.00039767 0.00109835 -0.00025712 0.00082188 -0.00333475 -0.00071970 0.00011502 -0.00270617 -0.01653722 0.00089224 0.00277528 0.00885485 -0.08070036 0.00011619 0.00007341 -0.00013685 -0.00109482 0.00048097 -0.00081348 -0.00000044 0.01043648 0.56815165 -0.04522926 0.00447097 -0.00173394 0.00043809 0.00146912 -0.00129062 -0.00016187 -0.00029240 -0.00077062 -0.00008920 -0.00007554 -0.00025560 -0.00050336 0.00003433 -0.00055153 0.00159333 0.00093388 0.00070918 -0.00190158 0.02587567 -0.00758654 -0.00004741 -0.00026489 -0.00007245 -0.00000643 -0.00002543 -0.00008186 -0.00446155 0.00095756 0.00169474 0.04945360 0.00717045 -0.26264315 0.07768047 0.00021513 0.00429650 0.00281358 -0.00119974 0.00056949 -0.00074787 -0.00086572 -0.00001280 0.00018101 -0.00002555 -0.00065175 -0.00067223 -0.00055046 -0.00052192 -0.00031932 0.00005589 -0.01498450 0.00410325 0.00024154 -0.00032460 0.00027314 0.00016114 0.00005567 0.00007920 0.00355877 -0.00046894 -0.00225171 -0.00691843 0.28929188 -0.00304146 0.08417565 -0.07158743 -0.00438549 0.02947833 -0.01794046 0.00379201 0.00062406 -0.00104517 0.00023136 0.00130639 0.00071138 -0.00024375 0.00036968 -0.00031662 -0.00072752 0.00071314 -0.00074179 0.00049999 -0.01323424 0.00286537 -0.00079333 -0.00313329 -0.00024350 0.00004378 -0.00022914 0.00031593 0.00273458 -0.00147255 -0.00068518 0.00163029 -0.08668294 0.08486552 -0.22254268 -0.09528389 -0.06841527 0.00027289 0.00139662 -0.00036582 0.00137680 -0.00082935 0.00031240 0.00017144 0.00033097 0.00050478 0.00024370 0.00051014 0.00041984 -0.00251285 0.00280917 0.00335941 -0.02242798 -0.01051799 -0.00893551 -0.00002681 -0.00007516 -0.00001164 -0.00098061 -0.00098615 -0.00103223 0.00059121 -0.00199314 -0.00119530 -0.00004396 -0.00073382 0.00032721 0.24362983 -0.09757295 -0.09756724 -0.03888057 0.00171056 0.00049469 0.00171754 0.00031761 0.00029871 -0.00003529 -0.00009330 -0.00034759 -0.00011832 0.00000761 -0.00044851 -0.00015648 0.00246583 -0.00212372 -0.00148059 0.01389776 0.00533325 0.00547810 -0.00004939 0.00014790 0.00019609 0.00080345 0.00063593 0.00047733 0.00172075 0.00069938 0.00033693 -0.02621424 -0.01571633 -0.00928641 0.10328914 0.10739567 -0.06740197 -0.03735055 -0.07260088 -0.03065961 -0.01524500 -0.01395126 0.00286672 -0.00079552 -0.00532495 0.00040511 -0.00053376 0.00037508 0.00004768 -0.00015730 -0.00029767 0.00138240 -0.00122433 -0.00133347 0.01051687 0.00525439 0.00401621 -0.00131422 0.00183085 -0.00009186 0.00063185 0.00025326 0.00059377 0.00024779 0.00034621 0.00051447 0.00918960 0.00503173 0.00373725 0.07412811 0.04229908 0.08328877 0.00286011 -0.00035261 -0.00301991 -0.26644066 0.00146792 0.11184592 -0.02366102 -0.00026895 0.01592432 -0.00178457 0.00043790 -0.00440382 -0.00001775 0.00010732 -0.00012387 0.00028080 0.00004232 -0.00052708 0.00079310 -0.00032253 -0.00072635 0.00071721 0.00010970 0.00212874 0.00009683 -0.00007018 0.00006989 -0.00001669 -0.00007406 0.00010756 -0.00014396 0.00035011 0.00038226 0.00105468 0.00003094 0.00036670 0.28623084 -0.00156301 0.00253207 -0.00050535 0.00086415 -0.03306643 -0.00026785 -0.00053066 0.00445873 0.00003491 -0.00068999 0.01009697 -0.00094085 0.00193743 0.00007981 -0.00065060 -0.00144500 -0.00064599 -0.00033686 0.00197746 -0.00013994 -0.00073364 0.00012933 -0.00779842 0.00020583 -0.00000136 -0.00008648 0.00023831 -0.00012327 0.00029970 -0.00008680 0.00057323 -0.00059726 -0.00035883 0.00063777 0.00044444 0.00030907 -0.00127915 0.02283299 0.02548024 -0.00223479 -0.01064035 0.11732899 -0.00120685 -0.11529906 -0.01552212 -0.00000223 0.00813826 -0.00269297 -0.00014505 -0.00127413 -0.00021619 -0.00006787 -0.00036473 -0.00049550 0.00011123 -0.00050808 -0.00191147 0.00220098 -0.00485573 -0.00174104 0.00012861 0.00169312 0.00014678 0.00006205 0.00021115 0.00018897 0.00029607 -0.00001324 0.00004872 0.00059344 -0.00105450 -0.00032374 -0.00042545 0.00149058 -0.12124852 0.00232565 0.12233895 0.00027766 0.00016284 0.00042320 -0.00298695 0.00059942 0.00464752 -0.02021206 0.00639006 -0.01724518 -0.22199454 0.05926770 -0.12161847 0.00524862 -0.00277418 0.00510580 -0.00041269 -0.00109518 0.00177633 0.00029111 0.00036385 0.00006681 0.00104176 0.00002435 -0.00181614 0.00065382 0.00023074 0.00129393 0.00009641 0.00010440 -0.00014650 -0.00002674 0.00004899 -0.00021074 0.00002508 -0.00001644 -0.00011225 -0.00126841 -0.00068744 -0.00075420 0.23712234 0.00038129 -0.00067858 0.00010122 0.00032252 0.00067253 -0.00007603 -0.00263905 -0.00073839 0.00000312 0.05984456 -0.05504951 0.04054703 0.02268900 -0.00770109 0.01496795 -0.01740371 0.00237307 -0.00726008 0.00113976 0.00125682 -0.00388306 -0.00020538 0.00050940 -0.00010633 -0.00038981 0.00079414 0.00204447 0.00003209 0.00030649 -0.00001405 -0.00011319 0.00024124 -0.00002856 -0.00002567 0.00012694 0.00002287 -0.00019044 0.00063399 -0.00010476 -0.06126780 0.05824380 0.00023555 -0.00048539 -0.00030978 0.00295173 0.00040846 -0.00192377 0.01213293 -0.00466372 0.00960719 -0.12109987 0.04203451 -0.13352519 -0.00545863 0.00128733 -0.00898516 -0.01652121 0.00830577 -0.01323665 0.00201950 0.00226355 -0.00307811 0.00066627 -0.00046555 0.00114863 -0.00219289 -0.00087680 0.00212892 -0.00008348 0.00027523 0.00006980 0.00000965 -0.00002322 0.00018862 -0.00012630 -0.00001754 0.00015068 0.00074715 0.00068585 0.00058515 0.12652561 -0.04767545 0.14713411 0.00013455 0.00009937 0.00023082 0.00022076 -0.00038795 0.00000121 -0.00039224 -0.00008262 0.00003296 -0.00047495 0.00083832 -0.00183803 -0.29687765 -0.09663681 0.01422024 -0.00106800 0.00054265 0.00045286 0.00036643 -0.00005645 0.00077566 -0.00002667 -0.00016637 -0.00015010 0.00021473 0.00174111 -0.00001928 0.00001107 0.00009068 -0.00008281 0.00029296 0.00001574 0.00019609 -0.00002026 -0.00010072 0.00003750 0.00000338 -0.00000363 0.00004574 0.00093370 0.00010343 -0.00009712 0.31089145 0.00062817 -0.00033024 0.00007903 -0.00057572 0.00022706 0.00058671 0.00069591 -0.00117782 -0.00132171 -0.00792163 -0.00734747 -0.00001389 -0.09341501 -0.08445093 0.00813530 -0.02021449 -0.00963242 0.00284565 0.00130530 -0.00315656 0.00239427 -0.00006179 -0.00007145 -0.00009414 -0.00208793 0.00195714 -0.00146093 -0.00113127 0.00002066 -0.00063161 -0.00017846 0.00029382 -0.00027869 -0.00007269 0.00022537 -0.00009918 -0.00006009 0.00021008 -0.00003221 -0.00033279 0.00137076 0.00095314 0.10349518 0.09288425 0.00007962 -0.00002690 -0.00109605 0.00147516 0.00055475 -0.00107817 -0.00067765 0.00491869 0.00023311 0.02704541 0.00772711 -0.00169537 0.01378346 0.00780189 -0.03522544 -0.02016853 -0.00361577 -0.00092232 0.00046873 -0.00405937 0.00154531 0.00056909 0.00008535 0.00021038 -0.00041292 0.00256488 0.00047708 -0.00146047 -0.00001238 -0.00083497 -0.00013016 -0.00032008 0.00029552 -0.00003737 -0.00010663 0.00017954 0.00009336 -0.00052206 0.00021994 -0.00060775 -0.00308957 0.00116587 -0.01553886 -0.00926605 0.03665632 -0.00113392 -0.00094693 -0.00064867 0.00024646 0.00008203 0.00011965 0.00104829 -0.00019450 0.00087271 0.00297699 -0.00480894 0.00139848 -0.20927043 0.14165216 -0.03304867 0.00302044 -0.00386671 0.00152993 -0.00002180 0.00019148 -0.00051189 -0.00000717 -0.00011203 0.00007671 -0.00029517 -0.00013140 -0.00007216 0.00006606 0.00006383 0.00016066 -0.00146938 -0.00130652 -0.00054881 0.00006163 -0.00009463 -0.00006404 0.00005343 0.00011799 -0.00001915 0.00016059 -0.00072412 0.00029453 -0.01545953 0.01833648 -0.00442423 0.21916554 0.00017993 -0.00054383 0.00005059 -0.00052269 0.00006379 0.00055945 0.00209401 0.00123891 0.00038158 0.00486165 -0.00961118 0.00109020 0.13769320 -0.17097954 0.02946502 0.01484123 -0.01216182 0.00632804 0.00161075 0.00169641 -0.00078981 -0.00045920 -0.00011912 0.00014116 -0.00177363 -0.00314994 0.00209452 0.00007760 0.00017177 0.00017310 -0.00106024 0.00065252 -0.00070265 0.00003508 0.00048479 -0.00016631 -0.00003007 -0.00002122 -0.00009276 -0.00033977 -0.00094910 -0.00087490 -0.00960620 0.00964369 -0.00244920 -0.14838210 0.18389315 -0.00024718 -0.00058001 0.00111382 0.00032272 -0.00089531 0.00021172 -0.00316654 -0.00246446 0.00157539 -0.02081377 0.01704166 -0.00655434 -0.03206629 0.02814767 -0.04035956 0.01837909 -0.00850876 0.00214203 0.00046193 0.00230925 0.00031651 -0.00022883 0.00028212 -0.00016291 -0.00094702 -0.00464031 0.00115655 0.00044593 0.00005642 0.00009556 -0.00058757 0.00030514 0.00021971 -0.00003020 0.00020468 -0.00009295 0.00007421 0.00016582 -0.00002203 0.00127051 0.00495569 -0.00102930 0.00129123 -0.00165178 -0.00005609 0.03492287 -0.03384667 0.04265182 -0.00254771 -0.00370670 0.02743636 -0.00441068 0.00214536 -0.00020944 -0.00075551 0.00016827 0.00063924 -0.00529443 0.00107567 -0.00209008 0.00172313 0.00081737 0.00172934 -0.00204721 0.00457760 -0.03055047 -0.04708434 -0.00321684 0.01081015 0.00032481 -0.00018084 0.00004601 0.00163354 -0.00014185 -0.00088178 -0.00004010 -0.00120779 0.00418762 0.00159242 -0.00021697 -0.00032026 0.00024572 -0.00055757 -0.00043912 0.00011294 0.00000250 0.00154202 0.00007162 -0.00131898 -0.00128374 -0.00002884 -0.00001602 -0.00000691 0.00000738 -0.00051328 -0.00001759 0.05552469 0.00246476 0.00106059 -0.01716532 0.00344696 -0.00070665 -0.00062619 -0.00010399 0.00011875 0.00021299 -0.00197962 0.00036568 -0.00139342 0.00081895 0.00137914 0.00054311 -0.00105520 0.00117260 -0.01050583 -0.00353719 -0.06008885 0.05971602 -0.00006063 0.00007530 0.00004590 0.00029380 -0.00019969 0.00042765 -0.00203630 -0.01291376 0.03364831 -0.00059262 0.00101933 -0.00056147 -0.00010777 0.00011327 0.00041739 0.00001092 0.00019212 -0.00098801 -0.00003076 -0.00048826 -0.00062395 -0.00002026 0.00013231 0.00016157 0.00012672 -0.00025387 -0.00005163 0.00298798 0.07308221 0.00146475 0.00164060 -0.01307114 0.00262656 -0.00097357 0.00109928 -0.00068527 0.00019391 0.00085814 -0.00223667 0.00085245 0.00009499 0.00044337 -0.00020483 0.00111619 -0.00172203 0.00142595 -0.01683157 0.01211846 0.05892665 -0.27704366 -0.00001962 0.00018960 0.00004530 0.00057087 -0.00012427 0.00026097 0.00019814 0.00113718 -0.00232593 -0.00041712 -0.00051630 0.00100774 0.00047972 0.00008239 0.00008146 -0.00010203 0.00012479 -0.00069109 -0.00011019 -0.00083580 -0.00054543 -0.00004470 -0.00018382 -0.00002349 -0.00014275 -0.00048282 -0.00037056 -0.01182807 -0.06250878 0.30312713 0.00030990 -0.00000556 0.00014532 0.00089837 0.00003272 -0.00186017 0.00031410 -0.00011069 -0.00065722 0.00076919 0.00033015 -0.00009021 0.00008430 0.00004277 0.00007603 0.00000659 -0.00012593 -0.00032980 -0.00001241 -0.00005298 -0.00004733 -0.27600216 -0.00259137 0.09271168 0.00005074 -0.00004366 0.00004267 0.00004421 -0.00002873 0.00000030 -0.00001934 0.00000559 0.00002866 0.00001993 0.00000734 0.00007233 0.00056493 0.00002126 0.00022183 0.00040103 -0.00015649 -0.00013385 0.00000644 -0.00001055 -0.00001477 0.00000093 -0.00002718 0.00003232 0.00004642 0.00003337 0.00005171 0.29892847 0.00001707 -0.00018648 0.00001942 -0.00005315 -0.00045714 0.00000949 0.00041581 -0.00140842 -0.00002198 0.00026835 0.00212514 0.00059336 0.00031100 -0.00006576 -0.00045466 -0.00027371 0.00036523 -0.00028364 -0.00001193 -0.00003088 -0.00003242 -0.00278820 -0.04690554 0.00103523 0.00003377 -0.00007400 0.00014709 -0.00000167 -0.00000736 -0.00001329 -0.00000320 -0.00001509 0.00006625 -0.00000092 0.00000298 -0.00003201 0.00001504 0.00029132 -0.00000965 -0.00023954 -0.00016773 -0.00008719 0.00000583 -0.00000866 -0.00008561 -0.00001034 -0.00004024 0.00002911 0.00002300 -0.00000440 0.00000971 0.00291869 0.04526712 -0.00022970 0.00010670 0.00017642 0.00167682 -0.00000562 0.00206001 0.03251404 0.00067151 -0.01258149 -0.00210998 -0.00039353 -0.00548265 0.00020175 -0.00028936 -0.00034467 0.00124756 0.00028830 -0.00015793 0.00026284 -0.00012986 0.00032811 0.08913264 0.00089669 -0.08350411 -0.00014887 0.00024837 -0.00036994 -0.00007221 0.00002387 -0.00005222 0.00003928 -0.00003150 0.00001624 -0.00001803 -0.00002674 0.00000128 -0.00137430 0.00001528 -0.00001728 -0.00003752 -0.00003437 0.00011590 0.00001528 -0.00000321 -0.00015102 0.00002294 0.00014343 0.00004800 -0.00011833 0.00002760 -0.00001222 -0.10035891 -0.00112092 0.09251007 0.00005846 -0.00060152 -0.00013533 0.00087772 0.00052779 -0.00051202 -0.00193587 -0.00062884 -0.00335218 0.00035032 -0.00070346 0.00054890 0.00020880 0.00019595 -0.00015495 -0.00003475 -0.00002046 0.00001147 0.00002606 0.00007619 -0.00015480 -0.10843714 0.10083991 -0.04025798 0.00000868 0.00006414 -0.00002512 0.00001483 0.00004543 -0.00008819 -0.00003926 -0.00004695 0.00016549 -0.00002420 -0.00000341 -0.00009738 0.00029338 0.00056500 -0.00002497 0.00003945 0.00013284 -0.00007781 0.00000804 -0.00000145 -0.00005020 -0.00002986 -0.00000934 0.00006044 0.00003110 -0.00006861 -0.00004113 -0.01358254 0.02396236 -0.01061217 0.11478920 0.00001312 -0.00043783 -0.00010351 -0.00082741 0.00007762 -0.00048506 -0.00083773 0.00328681 0.00001519 0.00056580 0.00029706 0.00027897 -0.00015934 0.00003075 -0.00006071 -0.00018760 0.00003508 -0.00000640 0.00008790 0.00006633 -0.00007128 0.10103056 -0.20526530 0.07051783 -0.00000209 -0.00002805 0.00002995 -0.00004685 0.00005099 -0.00001539 -0.00000172 0.00000436 0.00012996 -0.00003827 0.00002017 -0.00001664 -0.00005202 0.00018537 -0.00004452 -0.00058590 -0.00006571 0.00020048 -0.00001209 0.00000250 0.00004886 0.00000397 0.00002395 -0.00013257 -0.00003452 0.00000555 0.00000465 -0.00131152 0.00084836 -0.00122726 -0.11149034 0.22377109 -0.00107929 -0.00238750 -0.00011688 0.00267745 -0.00003058 -0.00301252 -0.01937498 0.02667091 -0.01527581 -0.00151637 -0.00076898 0.00076863 0.00004937 0.00006458 0.00032221 0.00007761 -0.00023292 0.00019691 -0.00046941 0.00018123 -0.00005016 -0.04182562 0.07205786 -0.07497328 0.00002709 0.00010157 -0.00000663 0.00011466 0.00003667 -0.00011284 0.00009937 0.00008553 0.00024204 0.00005435 -0.00011841 -0.00078119 -0.00011810 0.00110536 -0.00007434 0.00098726 0.00001474 0.00021795 0.00009248 -0.00001533 -0.00001421 -0.00001701 -0.00010054 0.00005272 0.00016186 -0.00006836 -0.00006629 0.00521016 -0.01032676 0.00384561 0.04915323 -0.07800054 0.08521151 -0.00008446 0.00060562 -0.00003617 0.00084466 -0.00028076 -0.00070546 -0.00153243 0.00031796 -0.00312764 0.00007699 0.00023688 0.00037557 0.00030884 -0.00001279 -0.00011064 -0.00002240 -0.00000380 -0.00032360 0.00011933 0.00001422 0.00009603 -0.10316771 -0.09883577 -0.03639207 -0.00000817 0.00003669 0.00000919 0.00000616 -0.00001602 0.00003053 0.00002270 -0.00003515 -0.00013251 -0.00002092 -0.00000405 0.00001302 0.00027686 -0.00066926 -0.00000254 0.00002294 0.00013865 -0.00003615 0.00002853 0.00003532 -0.00005075 -0.00002877 -0.00000610 -0.00001252 -0.00002047 -0.00001245 0.00000767 -0.01279981 -0.02454625 -0.01019683 0.00736156 0.01391302 0.00565072 0.10860265 0.00000951 -0.00012336 0.00016919 0.00090882 0.00005930 0.00044955 0.00028219 0.00275278 -0.00059766 -0.00037042 0.00060718 0.00002757 0.00012965 0.00002765 -0.00024612 0.00022246 0.00003295 -0.00013246 -0.00011740 -0.00004192 0.00006721 -0.09903012 -0.21425749 -0.06911726 0.00000370 0.00000154 0.00000956 0.00003344 -0.00002251 0.00005562 0.00001185 -0.00003619 -0.00003932 0.00000941 -0.00002758 -0.00007497 0.00005204 0.00011161 0.00002599 0.00031140 -0.00031507 -0.00011150 0.00005845 -0.00000602 -0.00005982 0.00000443 -0.00003430 0.00006394 0.00006433 0.00000787 -0.00000328 0.00103192 0.00043982 0.00101045 -0.01277591 -0.02286224 -0.00818045 0.10913894 0.23364735 -0.00047825 0.00293930 -0.00030880 0.00211609 -0.00043652 -0.00295463 -0.01867724 -0.02777868 -0.01439503 -0.00083411 0.00074566 0.00188219 0.00036420 0.00028016 -0.00029298 -0.00025551 0.00015758 -0.00014227 -0.00046080 0.00001032 0.00031744 -0.03786279 -0.07064871 -0.07246461 0.00011789 0.00002257 0.00014956 0.00017595 -0.00004961 0.00003857 -0.00009123 -0.00006858 -0.00103926 -0.00001557 -0.00002970 0.00003090 -0.00009472 -0.00110692 -0.00004257 0.00047908 -0.00015624 0.00002914 0.00006373 -0.00000028 -0.00010476 -0.00008158 -0.00009675 -0.00004609 0.00012563 -0.00001093 0.00000048 0.00487186 0.01053635 0.00362772 0.00561206 0.00888456 0.00361615 0.04497266 0.07671663 0.08213980 0.00015795 0.00023860 -0.00005034 -0.00010303 -0.00014323 0.00028432 0.00105985 0.00100670 0.00075024 -0.00494695 0.00135659 0.00069585 0.00104732 -0.00096472 -0.00097934 -0.00405808 -0.00204599 0.02896138 0.00165172 -0.00040371 0.00113377 -0.00047421 -0.00001614 0.00001123 -0.04903275 -0.00294139 0.02465857 -0.00013720 0.00000547 -0.00002578 0.00003548 -0.00001990 -0.00009597 0.00003712 -0.00004939 -0.00008217 -0.00003722 0.00002606 -0.00010497 -0.00005556 -0.00027397 0.00011883 0.00027206 0.00046494 -0.00014236 -0.00001946 0.00001405 -0.00001895 -0.00019039 0.00013907 -0.00082791 -0.00002181 -0.00005338 0.00016339 0.00001803 -0.00001551 0.00000205 0.00001316 0.00000025 -0.00005395 0.05244533 -0.00008277 -0.00018507 -0.00013252 0.00013246 0.00007675 -0.00004287 -0.00061419 -0.00088067 -0.00052254 0.00374394 0.00001376 -0.00146423 -0.00108389 0.00151079 0.00081048 0.00146172 0.00074507 -0.01696878 -0.00073855 0.00033656 0.00014794 0.00028561 0.00001855 -0.00000879 -0.00305857 -0.05048597 0.02793325 -0.00013893 0.00012692 0.00026669 -0.00000012 -0.00001924 0.00003434 -0.00002362 0.00001745 0.00003881 0.00003720 0.00006097 0.00003501 0.00002754 0.00006558 0.00020878 -0.00017053 -0.00029729 -0.00006943 0.00007202 0.00018278 0.00009669 0.00007097 0.00010445 0.00030416 0.00001065 0.00003189 -0.00010000 -0.00001613 0.00001087 -0.00002342 -0.00000853 0.00000389 0.00001850 0.00059337 0.05063434 0.00013646 -0.00032138 0.00006621 0.00015981 0.00016005 -0.00007596 -0.00081279 -0.00091264 0.00008218 0.00228106 0.00035779 0.00091460 -0.00031136 -0.00066166 0.00059051 0.00193400 -0.00018599 -0.01113757 -0.00068489 -0.00012446 0.00041664 0.00024969 0.00004509 0.00003680 0.02446137 0.02789349 -0.29609579 0.00028991 0.00005005 0.00002657 -0.00005524 0.00000494 0.00009715 0.00004976 0.00000576 0.00004126 0.00007605 0.00012678 0.00006264 0.00010542 0.00033978 0.00045742 0.00012510 -0.00038372 -0.00022813 -0.00003560 -0.00017766 -0.00006447 0.00076759 0.00004756 0.00044697 0.00004389 0.00002083 -0.00008004 -0.00001934 -0.00000593 0.00001414 -0.00002095 0.00000262 0.00003787 -0.03009944 -0.02922175 0.32421278 0.00010643 -0.00011544 0.00019515 -0.00008621 -0.00007185 0.00008343 0.00012895 0.00000692 -0.00018153 0.00153657 -0.00170141 -0.00103723 -0.00488372 0.00201153 -0.00030767 0.00158968 0.02828779 -0.00493792 0.00108537 0.00042997 -0.00015623 -0.00002492 0.00000500 0.00000990 -0.04710918 -0.01024610 0.00260605 -0.00102514 -0.00022239 -0.00021338 0.00013027 -0.00011406 -0.00003287 -0.00004188 -0.00007158 -0.00003279 -0.00001646 0.00002448 -0.00002506 0.00019270 -0.00013186 0.00049352 0.00010744 0.00013379 -0.00011227 0.00038360 0.00116534 0.00117981 -0.00006755 -0.00007630 0.00005171 -0.00001335 0.00000775 0.00000609 0.00000447 0.00001291 -0.00000877 0.00000022 -0.00001596 -0.00003164 -0.00090247 -0.00260162 -0.00013328 0.05136372 0.00008494 0.00009453 -0.00001233 0.00009363 0.00008372 -0.00001091 -0.00036607 0.00000609 -0.00004809 -0.00033339 0.00115949 -0.00032487 0.00338317 -0.00008147 0.00106807 0.00007676 -0.01563909 0.00154963 -0.00051354 -0.00069720 -0.00047320 0.00012417 -0.00003809 0.00001480 -0.00879232 -0.29508339 0.05523271 -0.00085339 -0.00073355 -0.00086793 -0.00010489 0.00009311 0.00000710 0.00014626 0.00003516 0.00000656 0.00003230 -0.00001916 0.00000245 0.00005902 -0.00025383 -0.00062345 0.00014516 0.00045203 0.00042498 0.00005922 -0.00046198 -0.00116340 -0.00001927 0.00007280 0.00002552 0.00001958 0.00000661 -0.00004939 -0.00001365 0.00001414 -0.00002953 -0.00000584 0.00001156 0.00002671 -0.00063275 -0.00271874 0.00046801 0.00962474 0.32425387 -0.00008549 -0.00013704 0.00005083 -0.00004794 -0.00001938 0.00006898 0.00015471 0.00011162 0.00013226 -0.00101313 0.00067664 0.00177520 0.00254864 -0.00257675 0.00059400 -0.00079537 -0.01208079 0.00089166 -0.00020681 0.00058522 -0.00014861 -0.00005368 -0.00003492 0.00002183 0.00180222 0.05544061 -0.05929202 -0.00031523 0.00047964 0.00078621 0.00001146 -0.00003160 -0.00006224 -0.00002960 0.00004178 -0.00000562 -0.00000528 -0.00000968 -0.00001232 -0.00024326 0.00005558 -0.00023778 0.00014711 0.00028696 0.00013664 0.00012960 -0.00071618 -0.00077202 0.00004264 0.00002480 0.00009009 -0.00000838 0.00000348 0.00001892 0.00000086 0.00001004 -0.00003118 -0.00000072 0.00000255 -0.00000780 0.00178071 0.03208603 -0.00644809 -0.00360330 -0.05877914 0.06022972 -0.00099525 -0.00109096 -0.00114308 0.00032940 0.00007941 -0.00036960 -0.00004682 -0.00032408 0.00045931 0.00027889 -0.00071313 -0.00150087 0.00050412 -0.00172141 -0.00087412 -0.02366514 -0.01020908 -0.01215919 -0.00241565 0.00335608 0.00348756 0.00003792 0.00002261 -0.00000825 -0.21626847 -0.08159636 -0.09273378 0.00028360 0.00064911 0.00000590 -0.00007767 0.00010240 0.00003669 -0.00050441 0.00037570 0.00027135 0.00004296 0.00005423 0.00013173 0.00042071 0.00009758 0.00093504 0.00080646 0.00097873 0.00033039 0.00048096 0.00013460 -0.00022570 0.00019531 0.00008951 -0.00006238 0.00001409 -0.00001115 -0.00000049 -0.00000623 -0.00003308 0.00005900 -0.00000132 0.00002727 0.00005652 0.00313892 0.00186696 0.00159532 -0.00083298 -0.00047583 -0.00007032 0.23826598 0.00065381 0.00069467 0.00041545 0.00000017 0.00000129 0.00003759 0.00012403 0.00006713 0.00002579 -0.00028260 0.00056565 0.00039935 0.00163472 0.00074675 0.00067825 0.01369993 0.00385200 0.00691411 0.00236356 -0.00199611 -0.00148629 -0.00002735 0.00002305 -0.00001018 -0.08461052 -0.08587751 -0.04615756 -0.00011014 -0.00063625 -0.00065441 -0.00004757 0.00000855 0.00004457 0.00031889 -0.00011388 -0.00011401 -0.00000953 -0.00001334 -0.00002022 -0.00020420 0.00003945 0.00023004 0.00024750 -0.00057813 0.00009394 -0.00017026 0.00003729 -0.00001226 -0.00018418 -0.00001896 -0.00014352 0.00000418 -0.00000823 0.00001015 -0.00000887 -0.00001611 0.00000564 -0.00000197 0.00000549 -0.00000572 0.00385051 0.00087548 0.00221873 -0.02519819 -0.01156258 -0.01485296 0.08851774 0.09312752 0.00047875 0.00001837 0.00034634 -0.00009119 0.00001084 0.00018501 -0.00006036 0.00004473 -0.00010130 0.00082040 0.00050674 0.00094926 0.00008619 0.00005035 0.00060452 0.00924275 0.00391098 0.00298438 0.00116562 -0.00085697 -0.00044906 -0.00001000 -0.00000498 -0.00000375 -0.09501466 -0.04567800 -0.09788560 0.00018278 -0.00014511 0.00009818 -0.00000659 0.00000098 -0.00001069 0.00013227 -0.00007581 -0.00006214 -0.00001928 0.00002878 0.00001211 0.00016884 0.00013531 -0.00022632 0.00003816 0.00028882 0.00024966 0.00010504 0.00009865 -0.00004598 0.00030321 -0.00010132 0.00030798 -0.00001070 -0.00000494 0.00000597 0.00000367 0.00000556 -0.00000627 0.00000798 -0.00000372 -0.00000816 -0.02594996 -0.01323845 -0.01339869 0.00678605 0.00310297 0.00289721 0.10173540 0.05177837 0.10359827 0.00043207 0.00116733 0.00038279 0.00009637 0.00003157 -0.00012486 -0.00019784 0.00004924 0.00019860 0.00007587 0.00015599 -0.00006134 -0.00022094 0.00014995 0.00013132 0.00055889 -0.00078639 0.00088577 -0.00455083 -0.00020039 -0.00172559 0.00006901 -0.00002588 0.00000731 -0.00010908 0.00023202 -0.00048935 -0.24180548 -0.05667268 -0.09900186 0.00031908 0.00012521 0.00019796 0.00075167 0.00027516 0.00002011 0.00003395 -0.00003671 -0.00002235 0.00001159 -0.00001790 -0.00002801 0.00005835 -0.00007801 -0.00010056 0.00005699 -0.00007368 -0.00004245 0.00004462 -0.00024819 0.00041068 0.00002414 -0.00000152 -0.00002805 -0.00000686 -0.00000801 0.00002744 -0.00000412 0.00000498 0.00001275 0.00003214 -0.00000125 0.00001684 0.00022584 -0.00043518 0.00020750 -0.00001851 -0.00025865 0.00003244 0.26282230 -0.00230904 0.00112505 -0.00023756 0.00043844 0.00012320 -0.00023095 -0.00045628 0.00007103 0.00012858 0.00034925 0.00029154 0.00016375 -0.00211399 -0.00015165 -0.00006928 0.00112132 -0.00695878 0.00127635 -0.02819011 -0.00967398 -0.01569204 0.00016946 -0.00000577 -0.00001224 0.00086664 -0.00052169 0.00000511 -0.05469043 -0.06088250 -0.02748662 0.00002993 0.00042722 0.00032324 0.00120141 -0.00020532 -0.00004183 0.00002165 -0.00004710 -0.00001995 -0.00002033 -0.00008175 -0.00011353 -0.00004579 -0.00044961 -0.00063439 0.00001401 0.00003682 0.00015422 0.00025159 0.00136156 0.00041171 0.00001594 0.00000374 -0.00004871 -0.00000744 -0.00000917 0.00002629 -0.00000349 0.00001674 0.00004488 -0.00004911 0.00003301 0.00001828 -0.00015105 0.00048783 -0.00011060 -0.00007178 0.00023975 -0.00002592 0.06157761 0.06947025 -0.00069152 -0.00018561 -0.00003632 -0.00001433 -0.00001935 -0.00036234 -0.00003138 -0.00016672 0.00017678 0.00029719 0.00035864 0.00031136 -0.00009751 0.00006232 0.00042066 0.00013811 0.00007027 0.00034362 0.00298146 0.00115170 0.00038515 0.00003186 0.00002614 0.00005828 0.00030299 0.00004142 0.00019873 -0.09892322 -0.02829687 -0.09715245 0.00027119 0.00010861 0.00001970 0.00050819 -0.00035425 0.00019400 0.00003515 -0.00007294 -0.00002997 0.00003919 0.00004169 0.00001324 0.00000442 -0.00008152 -0.00000074 0.00000822 -0.00006295 -0.00002700 0.00033230 -0.00047512 0.00042942 0.00001698 -0.00001008 -0.00001887 0.00000514 0.00001011 0.00004745 0.00000216 -0.00000601 0.00000013 -0.00006700 -0.00010572 0.00003642 0.00005823 0.00013548 -0.00020224 -0.00001297 0.00012643 0.00000304 0.10874586 0.03099433 0.10085618 -0.00010929 -0.00067663 -0.00044583 0.00012913 0.00002393 -0.00016450 -0.00003766 -0.00002333 0.00006844 -0.00003981 -0.00008830 -0.00004965 0.00016292 0.00009922 0.00004751 0.00016600 0.00054721 -0.00024780 0.00381516 -0.00278385 -0.00321729 0.00002278 -0.00000895 -0.00001568 -0.00163858 -0.00060456 -0.00069477 -0.18975359 0.09693692 0.09138595 0.00038780 0.00006605 0.00023462 0.00063212 -0.00005460 0.00014644 0.00000415 0.00000433 -0.00001828 0.00001653 -0.00000287 0.00002101 0.00001024 0.00005195 0.00003402 -0.00000391 0.00000680 0.00000598 0.00026742 0.00060137 -0.00026560 -0.00000895 -0.00000330 0.00000054 0.00000507 -0.00000883 0.00002750 0.00000690 0.00001082 0.00001946 -0.00002852 0.00010611 0.00003867 -0.00171665 -0.00147668 -0.00050286 0.00004256 -0.00034332 -0.00000777 -0.02021904 0.01333844 0.01377576 0.20837093 -0.00232854 -0.00622605 0.00139840 0.00003625 0.00004057 0.00085164 0.00025959 0.00027699 -0.00015645 -0.00015698 -0.00011029 0.00019019 -0.00012123 0.00006297 -0.00001486 0.00132347 0.00077052 -0.00008602 0.02460146 -0.01431649 -0.01571816 -0.00012033 -0.00004097 0.00002010 0.00011133 -0.00034998 0.00002896 0.09503185 -0.11085943 -0.06004607 0.00159215 -0.00122934 -0.00105613 -0.00020499 0.00012982 0.00019678 0.00001555 0.00000939 -0.00021681 -0.00005931 -0.00003759 -0.00004961 -0.00010315 -0.00002538 0.00000900 0.00002599 0.00013946 0.00008891 0.00006909 0.00141129 0.00047906 -0.00000388 -0.00000688 0.00001634 -0.00002226 0.00001955 -0.00007108 -0.00000194 -0.00001853 -0.00007497 -0.00024493 -0.00018984 0.00026903 -0.00088196 0.00056791 -0.00049588 -0.00001742 0.00049111 0.00014884 -0.00579924 0.00366072 0.00443074 -0.10514147 0.12135028 -0.00036758 0.00082360 0.00073070 -0.00042137 -0.00022597 0.00005572 0.00042026 -0.00007814 0.00018678 0.00004615 -0.00006186 0.00009206 -0.00029454 0.00002081 -0.00011827 0.00061901 -0.00038676 -0.00019092 -0.00310920 0.00222585 0.00043682 -0.00005568 -0.00003658 0.00005418 0.00050875 -0.00084371 0.00072924 0.09043015 -0.06085721 -0.10411918 0.00002292 0.00025235 0.00010787 0.00026776 0.00015202 -0.00006481 -0.00003353 0.00007857 0.00004504 -0.00004768 -0.00002420 -0.00002807 -0.00002668 -0.00006530 0.00000042 -0.00001841 0.00006349 0.00006095 -0.00047083 -0.00037966 0.00052994 -0.00000779 0.00000926 0.00001370 0.00001974 0.00002531 -0.00001438 -0.00000644 -0.00002099 -0.00004763 0.00004070 0.00009594 -0.00012052 -0.00083953 0.00041405 -0.00029810 0.00001045 0.00047520 -0.00009367 -0.01090101 0.00791021 0.00674254 -0.09945304 0.06605119 0.10863029 0.00009396 0.00016063 -0.00057733 -0.00014398 -0.00000449 0.00008439 0.00046190 0.00004456 0.00006153 0.00015309 -0.00020808 -0.00023179 -0.00013507 0.00017224 -0.00014085 0.00037499 0.00005175 0.00125432 -0.00103122 -0.00156216 0.00461475 -0.00005011 -0.00007555 0.00001182 -0.00001208 -0.00018751 0.00017969 -0.04809859 -0.00203629 0.00749312 -0.00004477 -0.00008372 0.00003173 0.00003275 -0.00001958 -0.00014006 -0.00003280 0.00009424 -0.00001193 -0.00007069 -0.00002048 -0.00001228 -0.00001849 0.00003212 0.00005651 0.00001012 0.00008924 -0.00004243 0.00066611 -0.00108353 0.00008183 -0.00002342 0.00001961 0.00002219 0.00000155 0.00002554 -0.00006206 -0.00000091 -0.00000606 -0.00005050 0.00009856 0.00013017 -0.00015804 -0.00013476 0.00017384 0.00015593 -0.00000944 0.00004229 -0.00011903 0.00151979 0.00871314 -0.02771649 -0.00048372 -0.00785910 0.02366741 0.04687724 -0.00030213 0.00132178 0.00044808 0.00100685 0.00015513 0.00015105 -0.00070536 -0.00006797 -0.00066269 -0.00066797 0.00000670 -0.00081659 0.00035804 0.00036682 -0.00003807 0.00091105 0.00165304 0.00097913 -0.00135336 -0.01023121 0.03361581 0.00002442 0.00000577 -0.00015597 -0.00020515 -0.00000001 -0.00013206 -0.00199555 -0.06752831 0.07076126 -0.00005578 0.00026741 -0.00020849 0.00020857 -0.00005576 -0.00015559 -0.00002129 -0.00000422 -0.00017034 0.00006332 -0.00010760 -0.00016132 0.00000915 0.00011234 -0.00007375 -0.00000186 0.00006080 0.00004582 -0.00093895 -0.00700037 0.00016865 -0.00000564 0.00000460 0.00000178 0.00000903 -0.00006614 0.00000402 0.00000689 0.00001950 0.00008039 0.00015849 -0.00007229 -0.00003360 -0.00011045 -0.00004978 0.00003996 -0.00008765 0.00004592 0.00000492 0.00087460 0.00163889 -0.00772072 -0.00057646 0.00448018 -0.01561747 0.00339718 0.07504477 0.00027016 0.00011696 0.00014005 -0.00035099 -0.00075927 -0.00029618 0.00026984 -0.00082479 -0.00010976 0.00030177 0.00012093 0.00024609 0.00011376 -0.00006785 -0.00002139 -0.00043440 0.00022488 0.00033439 0.00007301 0.00154803 -0.00186953 -0.00002137 -0.00001379 0.00003438 0.00019981 0.00030668 0.00012649 0.00735896 0.07224623 -0.28712023 -0.00009535 0.00015196 0.00003682 -0.00000723 0.00012048 -0.00008842 -0.00005449 0.00014737 0.00010247 0.00006038 0.00005906 0.00011295 0.00002698 0.00001351 0.00006097 -0.00000838 -0.00003003 -0.00004147 0.00009265 0.00018706 0.00148531 -0.00000663 0.00000358 0.00000451 0.00002259 0.00000836 0.00000066 -0.00001056 -0.00000732 -0.00001536 -0.00010288 -0.00017812 0.00010911 0.00018351 -0.00009679 -0.00017552 0.00004606 0.00000353 0.00004967 0.00124806 0.00326668 -0.01240676 -0.00072284 0.00380686 -0.01332069 -0.00845243 -0.08035419 0.31262147 0.00001587 -0.00000256 -0.00000175 0.00000067 -0.00000287 -0.00000106 0.00000140 -0.00000435 -0.00000175 0.00000508 -0.00001039 -0.00002164 -0.00000147 -0.00001487 -0.00000114 -0.00001092 0.00001249 0.00001588 -0.00000005 -0.00000940 0.00000485 0.00000092 0.00000054 0.00000291 -0.00000583 0.00000224 0.00000498 0.00000705 0.00002277 0.00000215 0.00000184 -0.00000012 0. 0.00000035 0.00000020 0.00000060 0.00000037 -0.00000066 0.00000030 -0.00000119 0.00000192 -0.00000130 -0.00000261 0.00000136 -0.00000206 -0.00000480 -0.00000420 -0.00000126 -0.00000383 -0.00000418 -0.00000343 0.00000040 0.00000116 -0.00000110 0.00000096 0.00000239 -0.00000182 0.00000069 0.00000089 -0.00000261 -0.00000271 -0.00000029 -0.00000129 -0.00000173 -0.00000031 0.00000143 -0.00000226 0.00000213 0. 0.00000037 0.00000035 0.00000052 -0.00000034 0.00000179 0.00000198 0.00000177 0.00000399 0.00000663 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358 PT99970.800S 2019-02-16T18:00:28.000+01:00 -11.23319 -11.22603 -11.22587 -11.22345 -11.21850 -11.21668 -11.21574 -11.21371 -11.20590 -11.20462 -1.17117 -1.06677 -1.04859 -0.96636 -0.94377 -0.88855 -0.83779 -0.81693 -0.75047 -0.67748 -0.63471 -0.62818 -0.61344 -0.58231 -0.57800 -0.56194 -0.55460 -0.54744 -0.53362 -0.52055 -0.50432 -0.48937 -0.48758 -0.46805 -0.43998 -0.41811 -0.38602 -0.31395 0.03013 0.03748 0.03949 0.04153 0.05505 0.05541 0.05733 0.06177 0.06311 0.07708 0.08183 0.08582 0.08618 0.09041 0.09223 0.09662 0.10840 0.11642 0.11797 0.11990 0.12388 0.12685 0.12848 0.12927 0.13204 0.13728 0.14214 0.14629 0.14873 0.15550 0.16002 0.16252 0.16533 0.16819 0.17286 0.17854 0.18236 0.18670 0.20082 0.21159 0.21599 0.22469 0.23019 0.23757 0.24037 0.24169 0.25096 0.25126 0.26020 0.26483 0.26844 0.27860 0.28386 0.28727 0.28876 0.29664 0.29973 0.30343 0.31301 0.31572 0.31897 0.32248 0.33284 0.33854 0.34324 0.34510 0.34822 0.35138 0.35431 0.36302 0.36863 0.37167 0.38813 0.39112 0.39771 0.40362 0.41008 0.41461 0.41959 0.42999 0.43301 0.43620 0.44023 0.44456 0.45078 0.45546 0.45920 0.46401 0.47251 0.48090 0.48602 0.48642 0.49608 0.50225 0.50750 0.51439 0.52136 0.52831 0.53473 0.54661 0.55136 0.56067 0.56471 0.57331 0.57881 0.58206 0.58758 0.59229 0.60271 0.61252 0.61991 0.63425 0.63915 0.64238 0.64931 0.65408 0.66270 0.67124 0.68030 0.68104 0.69223 0.70196 0.70293 0.70796 0.71674 0.72613 0.73066 0.74355 0.74487 0.75701 0.76448 0.76618 0.77211 0.77886 0.78519 0.79813 0.80200 0.80327 0.81310 0.81737 0.82712 0.83484 0.84621 0.85453 0.85728 0.86573 0.86945 0.87330 0.88328 0.88793 0.90055 0.90215 0.91040 0.91415 0.91981 0.92538 0.93025 0.94288 0.94729 0.94860 0.95151 0.96385 0.97429 0.97735 0.98093 0.98802 0.99407 1.00111 1.00626 1.01280 1.01656 1.02744 1.02818 1.03410 1.04527 1.04921 1.05272 1.06465 1.07144 1.07925 1.08437 1.09463 1.10074 1.10724 1.11539 1.12184 1.12376 1.13819 1.14622 1.14760 1.15596 1.16129 1.16274 1.18048 1.19037 1.19145 1.20550 1.21095 1.22360 1.22807 1.24154 1.24944 1.26362 1.26920 1.27577 1.28292 1.29568 1.29909 1.30718 1.31790 1.32075 1.33075 1.33861 1.34142 1.34920 1.36035 1.37023 1.37528 1.38283 1.39012 1.39927 1.40443 1.40938 1.41532 1.42166 1.43109 1.45239 1.45647 1.46097 1.46610 1.47740 1.48525 1.49217 1.50385 1.50472 1.50991 1.52040 1.53162 1.53952 1.54760 1.55343 1.55494 1.55904 1.56709 1.57717 1.58029 1.59067 1.60303 1.61089 1.61470 1.61860 1.63709 1.64267 1.64591 1.64979 1.65602 1.65939 1.66864 1.67110 1.67551 1.68078 1.68395 1.69511 1.70332 1.71320 1.71724 1.72134 1.72396 1.73586 1.75061 1.75895 1.76183 1.76718 1.77728 1.78756 1.79191 1.79727 1.81061 1.81589 1.81735 1.82233 1.83108 1.83491 1.84843 1.85550 1.86809 1.87565 1.88271 1.88867 1.90306 1.91588 1.91900 1.93155 1.93754 1.94522 1.95136 1.96107 1.97168 1.97448 1.98105 1.99656 1.99938 2.01406 2.01841 2.02734 2.02933 2.03329 2.05197 2.05890 2.07224 2.07913 2.08183 2.09459 2.10642 2.11769 2.12305 2.13017 2.14741 2.15505 2.16750 2.16883 2.18477 2.18645 2.19141 2.20449 2.20819 2.21403 2.22672 2.23336 2.24667 2.26052 2.26480 2.27428 2.28055 2.29190 2.30925 2.31518 2.32426 2.34042 2.34676 2.34887 2.36524 2.36867 2.38154 2.39886 2.40794 2.41996 2.42403 2.43015 2.44683 2.46231 2.46462 2.47085 2.48353 2.48524 2.50159 2.51639 2.52504 2.54046 2.54532 2.55034 2.55340 2.57002 2.57872 2.59099 2.59521 2.60269 2.62307 2.62964 2.63780 2.64666 2.66082 2.66549 2.67144 2.67627 2.68743 2.69534 2.70331 2.71527 2.72960 2.74484 2.75139 2.76087 2.76599 2.77444 2.77906 2.79417 2.80159 2.81058 2.81981 2.82903 2.84823 2.85265 2.85672 2.86050 2.87078 2.87813 2.88207 2.88830 2.89718 2.90339 2.91416 2.93010 2.93671 2.94229 2.94553 2.95110 2.95265 2.95835 2.96119 2.97620 2.98995 2.99788 3.00611 3.01206 3.01568 3.02679 3.03165 3.03883 3.04403 3.05319 3.05851 3.06507 3.07550 3.07718 3.08894 3.09632 3.09947 3.10536 3.11674 3.12106 3.13214 3.14152 3.15477 3.16263 3.16906 3.17778 3.17852 3.19854 3.19873 3.20510 3.21935 3.23067 3.23988 3.24999 3.26690 3.26836 3.27502 3.27787 3.29057 3.30333 3.31541 3.32465 3.33189 3.33505 3.35378 3.35834 3.37256 3.37400 3.38565 3.39144 3.39667 3.40523 3.41647 3.42287 3.43803 3.44171 3.44431 3.45088 3.45961 3.46775 3.47883 3.48580 3.49637 3.50168 3.52411 3.52686 3.53795 3.55081 3.55783 3.56280 3.57988 3.58362 3.59421 3.59529 3.60494 3.61455 3.62085 3.62668 3.62851 3.63699 3.65257 3.66175 3.66790 3.67928 3.69431 3.69658 3.70515 3.70960 3.72317 3.73258 3.74072 3.74207 3.75686 3.75872 3.76665 3.77617 3.78788 3.79254 3.80671 3.81896 3.82183 3.83605 3.83779 3.84782 3.85714 3.86234 3.86881 3.87766 3.88129 3.89043 3.90203 3.90942 3.91996 3.92705 3.93049 3.93610 3.95314 3.96237 3.96923 3.98565 3.98858 3.99719 4.00749 4.01833 4.02551 4.03149 4.03883 4.04944 4.05659 4.05869 4.06574 4.07821 4.09281 4.10470 4.11202 4.11895 4.12910 4.13877 4.14644 4.15315 4.15424 4.16215 4.17535 4.18628 4.19624 4.19723 4.22448 4.23104 4.23592 4.23960 4.25367 4.25811 4.26636 4.26995 4.28021 4.28517 4.30010 4.31593 4.32398 4.32626 4.33327 4.34558 4.35413 4.36670 4.37207 4.37936 4.38461 4.39377 4.41263 4.41818 4.42152 4.44011 4.44704 4.45310 4.45577 4.47584 4.47822 4.49781 4.50083 4.51230 4.52545 4.53227 4.54664 4.55576 4.56009 4.56831 4.58087 4.58956 4.60391 4.61129 4.61734 4.62547 4.63764 4.65400 4.66280 4.67276 4.69049 4.69710 4.70367 4.72524 4.72671 4.73834 4.74598 4.75868 4.76358 4.78558 4.79407 4.80004 4.81005 4.82876 4.83874 4.85523 4.86300 4.88302 4.88792 4.89479 4.90108 4.92600 4.93849 4.94328 4.95067 4.96757 4.98506 4.99684 5.00328 5.02208 5.03914 5.04606 5.05767 5.06150 5.07631 5.08708 5.10116 5.11149 5.12383 5.13639 5.14480 5.16754 5.17631 5.18881 5.20376 5.21421 5.22062 5.22904 5.25552 5.25890 5.26305 5.28868 5.29885 5.30581 5.31147 5.33373 5.34799 5.35409 5.36094 5.36478 5.38203 5.38949 5.40554 5.42149 5.42289 5.44017 5.44498 5.46224 5.47456 5.48765 5.49484 5.50427 5.52993 5.53939 5.54906 5.56696 5.58059 5.59098 5.61157 5.61408 5.62916 5.63773 5.65554 5.66787 5.68704 5.69537 5.70224 5.71654 5.72420 5.73934 5.74297 5.77317 5.78207 5.79224 5.80938 5.82480 5.83478 5.84641 5.86365 5.87686 5.90704 5.91855 5.94209 5.96197 5.97501 5.99458 6.00714 6.02666 6.03265 6.05519 6.06235 6.08574 6.09749 6.10743 6.11431 6.13766 6.15486 6.16642 6.19623 6.20440 6.22524 6.23063 6.23931 6.25673 6.27009 6.29401 6.31255 6.31440 6.33266 6.34447 6.35929 6.36640 6.38316 6.39497 6.42235 6.44986 6.46004 6.48374 6.48805 6.50733 6.51914 6.53319 6.55204 6.56391 6.57835 6.60125 6.62555 6.65663 6.66816 6.69178 6.70173 6.72289 6.74262 6.76487 6.78156 6.79302 6.83532 6.84296 6.86789 6.87233 6.90755 6.93640 6.95221 6.97771 6.99652 7.01381 7.09062 7.12181 7.15349 7.16860 7.22497 7.25329 7.33334 7.42096 7.55914 7.67633 7.72245 7.73816 7.75636 7.79534 7.81777 7.81978 7.84814 7.86234 7.89097 7.91066 7.91862 7.93344 7.95498 7.95976 7.97722 8.00903 8.01803 8.02163 8.03301 8.04577 8.05215 8.05318 8.06648 8.07650 8.07786 8.09564 8.11474 8.11757 8.13036 8.13227 8.14509 8.16635 8.17625 8.18024 8.19613 8.20608 8.21934 8.23536 8.25445 8.25827 8.27735 8.30103 8.30990 8.32002 8.33209 8.33707 8.36699 8.38445 8.40499 8.41910 8.42590 8.44110 8.44951 8.45656 8.48217 8.48720 8.49917 8.50981 8.51378 8.55211 8.56532 8.57970 8.58647 8.59983 8.60384 8.61794 8.63990 8.65119 8.66236 8.66934 8.69519 8.71744 8.73555 8.74390 8.74709 8.75427 8.77169 8.79570 8.80485 8.81876 8.82277 8.83910 8.85705 8.85848 8.87181 8.88142 8.89730 8.91068 8.91599 8.93106 8.94240 8.94569 8.95325 8.96587 8.97766 8.98237 8.98663 8.99937 9.00789 9.01132 9.02710 9.04042 9.04736 9.06560 9.06945 9.08087 9.08734 9.09705 9.10159 9.10205 9.11681 9.12461 9.14212 9.15515 9.17119 9.18012 9.18951 9.19828 9.20388 9.21905 9.22796 9.23283 9.24814 9.25430 9.26671 9.27730 9.28605 9.29906 9.31786 9.32359 9.33802 9.35730 9.36619 9.38103 9.38485 9.39654 9.41496 9.41764 9.42893 9.43532 9.45348 9.46416 9.46809 9.48184 9.49251 9.49459 9.50323 9.51317 9.52978 9.54138 9.54692 9.56153 9.56663 9.57117 9.58960 9.60476 9.61510 9.62245 9.63170 9.65346 9.66702 9.67644 9.68895 9.70058 9.70672 9.70841 9.72896 9.73858 9.75180 9.76712 9.77638 9.79098 9.79936 9.80588 9.81802 9.83557 9.83900 9.84628 9.87539 9.88116 9.89575 9.89795 9.91047 9.93850 9.94828 9.95538 9.98091 9.99562 10.00799 10.01464 10.02697 10.04529 10.04954 10.05560 10.07734 10.08263 10.09698 10.10744 10.13628 10.14837 10.16594 10.17660 10.19341 10.20251 10.21249 10.22457 10.23480 10.25651 10.28804 10.29946 10.31653 10.31998 10.32920 10.34780 10.36188 10.38301 10.40097 10.40943 10.42597 10.44037 10.45480 10.46589 10.48061 10.48866 10.49703 10.52087 10.54805 10.56492 10.58887 10.58994 10.59660 10.60959 10.62694 10.63827 10.64902 10.66550 10.67588 10.69616 10.70376 10.70823 10.72780 10.73678 10.74209 10.75592 10.76082 10.77093 10.78688 10.79735 10.80880 10.81975 10.82232 10.83373 10.84962 10.85328 10.86638 10.86999 10.88902 10.90879 10.91697 10.92426 10.93075 10.93723 10.96055 10.96872 10.98462 10.99064 10.99796 11.01092 11.01561 11.02429 11.04000 11.05436 11.06074 11.06911 11.08774 11.09337 11.10264 11.10814 11.11812 11.12726 11.13531 11.14442 11.14984 11.16162 11.17298 11.17723 11.18737 11.19095 11.20003 11.20813 11.20936 11.22641 11.22709 11.24196 11.24996 11.26150 11.26338 11.27503 11.29784 11.30512 11.30690 11.31426 11.33346 11.33855 11.34057 11.35567 11.36890 11.37710 11.38519 11.39450 11.39734 11.41428 11.43964 11.44107 11.44851 11.45410 11.45679 11.46356 11.46813 11.47758 11.48636 11.49290 11.50604 11.50853 11.51969 11.53309 11.54458 11.55683 11.56335 11.58794 11.60467 11.60758 11.62202 11.63216 11.64349 11.65942 11.66228 11.67498 11.70118 11.70570 11.71431 11.74344 11.75164 11.75930 11.78050 11.79462 11.81332 11.82773 11.84471 11.85851 11.86610 11.88959 11.90487 11.94188 11.95161 11.95446 11.97456 11.98118 11.99239 12.00692 12.02249 12.04187 12.04601 12.05916 12.06604 12.07879 12.11994 12.12509 12.14669 12.15019 12.16418 12.17257 12.19806 12.21538 12.21596 12.24608 12.24907 12.25226 12.27491 12.28593 12.30372 12.30832 12.31580 12.33644 12.35350 12.36055 12.36785 12.39945 12.44351 12.45424 12.47113 12.48541 12.51742 12.54019 12.56142 12.57548 12.59432 12.61137 12.63126 12.65472 12.68110 12.72584 12.74150 12.78650 12.85168 12.86516 12.87916 12.89246 12.92591 12.95299 12.96454 12.97462 12.98585 13.00772 13.02935 13.05592 13.08638 13.10678 13.11243 13.12799 13.17525 13.20970 13.21719 13.22985 13.25007 13.27610 13.29112 13.30494 13.31632 13.33112 13.35637 13.38442 13.39376 13.40982 13.43420 13.44685 13.45653 13.46809 13.47007 13.49519 13.50218 13.51512 13.52727 13.53644 13.58277 13.58632 13.61112 13.64122 13.67476 13.67624 13.71422 13.74439 13.75302 13.77350 13.78958 13.81140 13.85420 13.88994 13.90651 13.98066 14.06874 14.10679 14.17717 14.29890 14.31870 14.47627 14.52806 14.56032 14.69936 14.77395 14.85413 14.89253 14.91045 15.03090 15.07612 15.15395 15.16130 15.20685 15.26312 15.30998 15.32739 15.40767 15.45764 15.56462 15.66246 16.01513 16.14910 17.07440 17.13418 17.18786 17.49451 17.55736 17.57059 17.62214 17.63427 17.66336 17.66784 17.67723 17.74781 17.83375 17.85246 17.92956 18.02700 39.29086 40.26103 40.39803 40.51741 40.55710 40.74185 40.80798 40.92153 41.09316 41.72400 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 C C C C C C C C C C H H H H H H H H H H H H H H H H -0.367513 -0.290978 0.154238 -0.132148 -0.449117 0.185829 -0.032697 -0.642992 -0.634022 -0.581064 0.170659 0.172788 0.189062 0.196961 0.181577 0.184736 0.162452 0.161950 0.174817 0.178671 0.169401 0.175954 0.165764 0.162828 0.167187 0.175658 -0.00000 0.2400 -0.2750 0.0070 0.3651 -64.0481 -62.6525 -64.9133 -0.0562 0.8431 1.2120 -0.1768 1.2188 -1.0420 -0.0562 0.8431 1.2120 -0.7414 -0.9131 0.9214 -0.8005 1.4001 -1.8557 0.7975 -1.8085 1.2988 -0.3673 -1050.9047 -654.7413 -330.7590 -3.9277 5.8326 -3.7719 2.0380 1.6542 4.4030 -288.5557 -238.0973 -174.0013 0.7416 2.6812 1.8775 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-VOLTA08 EFRATP 2019-02-16T00:00:00.000+01:00 0 ? 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-388.1146728 RMSD=6.855e-09 Dipole=0.1327897,0.0055035,-0.0544806 Quadrupole=0.9556291,-1.4141678,0.4585387,-0.055979,0.5625738,-0.2113137 PG=C01 [X(C10H16)] @ 0 -0.0098345181 -0.0179716843 0.0203181555 0 0.002940012 -0.0081935807 1.5285104256 0 1.1362823466 0.0108979139 2.2376660044 0 2.4575345415 0.0387084273 1.5487772382 0 2.7179693031 1.115304758 0.5008471374 0 2.527877269 -0.3168527141 0.0726711232 0 1.2131323005 -0.7488628852 -0.5859651519 0 1.1606426446 0.0258280082 3.7417507478 0 3.7787738237 -1.0335456299 -0.4064140605 0 1.0105056423 -2.2727251567 -0.4947330466 0 -0.0568335144 1.0101536294 -0.3640610556 0 -0.924268625 -0.5007778082 -0.3433035569 0 -0.9544774091 0.0010400955 2.0432810223 0 3.3081249381 -0.2458601691 2.1624480617 0 3.7189665993 1.5295557342 0.4360258292 0 1.9285845186 1.8390912713 0.3353016032 0 1.2656773392 -0.4823112216 -1.6506537313 0 0.151037307 0.0140769676 4.1610694328 0 1.70455193 -0.841477483 4.1383946842 0 1.6788267756 0.9161772883 4.1207955451 0 3.9036137299 -0.9240495833 -1.4908392872 0 3.7558621634 -2.1036859782 -0.1795470059 0 4.6712382572 -0.6170740576 0.0709744721 0 0.0661999608 -2.5596200932 -0.9687730715 0 1.8085004198 -2.8251362755 -0.9972918614 0 0.9750267996 -2.6009134108 0.5490455358