Gaussian 09 GINC-KIMIK2073 CBGUSER 000230732 EM64L-G09RevD.01 4-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 214.1552999999999 0 1 AuxInfo=1/0/N:11,17,14,15,9,8,12,13,7,6,10,5,16,4,3,2,1/E:(3,4)(7,8)/CRV:2.3,3.3,4.3,7.3,8.3,11.3,13.3,16.1/rA:36OO1NCCCCCCC3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;s1s4;s4;s5;s6;s7s8;s4;s4;s10;s10;s12;s13;s1s2s3;s14s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s13;s14;s15;s17;s3;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20675.inp" -scrdir="/scratch/" chk=000230732.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000230732 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/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 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 2 3 3 3 4 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 5 16 16 16 35 36 5 6 10 11 7 18 8 19 20 9 21 22 9 23 24 25 26 12 13 27 28 29 14 30 15 31 17 32 17 33 34 1.4795 1.3767 1.216 1.3924 1.0095 1.0104 1.5577 1.5485 1.5307 1.541 1.5296 1.1161 1.5334 1.1102 1.1062 1.5326 1.1075 1.1088 1.5329 1.1066 1.1068 1.105 1.1095 1.404 1.4044 1.0958 1.0967 1.0952 1.3976 1.0895 1.3968 1.0938 1.3974 1.0885 1.398 1.0892 1.0872 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 5 16 16 35 5 5 5 6 6 10 1 1 1 4 4 7 4 4 4 8 8 19 5 5 5 9 9 21 6 6 6 9 9 23 7 7 7 8 8 25 4 4 12 4 4 4 27 27 28 10 10 14 10 10 15 12 12 17 13 13 17 1 1 2 14 14 15 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 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 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 16 35 36 36 6 10 11 10 11 11 4 7 18 7 18 18 8 19 20 19 20 20 9 21 22 21 22 22 9 23 24 23 24 24 8 25 26 25 26 26 12 13 13 27 28 29 28 29 29 14 30 30 15 31 31 17 32 32 17 33 33 2 3 3 15 34 34 116.7505 119.4952 117.9544 116.2005 108.485 111.3101 108.2763 111.1623 111.1059 106.4732 105.381 105.5027 108.4547 114.6917 111.3067 111.0012 112.9112 108.1093 110.0838 109.3359 109.5454 106.6499 112.0501 109.2191 109.1292 110.4162 109.717 106.1269 111.1005 109.5163 110.1799 109.8637 110.1298 105.9187 111.1209 110.1274 108.9913 110.4286 109.6156 106.4346 120.5758 120.8134 118.532 111.7496 110.7655 111.8419 106.9843 108.0063 107.2545 120.7293 120.277 118.993 120.714 120.5024 118.7811 120.2889 119.7419 119.969 120.3205 119.6187 120.0608 124.5182 109.0048 126.4287 119.4066 120.3074 120.2856 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 16 16 16 5 5 35 35 36 36 6 6 6 10 10 10 11 11 11 5 5 5 10 10 10 11 11 11 5 5 6 6 11 11 5 5 5 6 6 6 10 10 10 1 1 1 4 4 4 18 18 18 4 4 4 19 19 19 20 20 20 5 5 5 21 21 21 22 22 22 6 6 6 23 23 23 24 24 24 4 4 13 13 4 4 12 12 10 10 30 30 10 10 31 31 12 12 32 32 13 13 33 33 1 1 1 1 1 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 5 5 5 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 17 4 7 18 2 3 1 2 1 2 1 7 18 1 7 18 1 7 18 8 19 20 8 19 20 8 19 20 12 13 12 13 12 13 27 28 29 27 28 29 27 28 29 9 21 22 9 21 22 9 21 22 9 23 24 9 23 24 9 23 24 8 25 26 8 25 26 8 25 26 7 25 26 7 25 26 7 25 26 14 30 14 30 15 31 15 31 17 32 17 32 17 33 17 33 15 34 15 34 14 34 14 34 127.3789 -110.8913 8.0981 -3.1265 174.4815 12.9967 -169.4528 163.9767 -18.4728 64.3973 -51.1711 -178.2356 -58.218 -173.7864 59.1492 -174.9217 69.5099 -57.5545 53.7915 -67.3007 176.5606 176.4964 55.4041 -60.7346 -65.1209 173.7869 57.6482 150.996 -32.2786 29.9353 -153.3393 -91.2049 85.5205 59.8915 179.0757 -61.3377 178.9291 -61.8866 57.7 -59.8946 59.2896 178.8762 -63.4899 173.8412 58.2296 52.0081 -70.6607 173.7277 179.2286 56.5598 -59.0519 -57.9258 -179.4711 64.4066 62.4675 -59.0778 -175.2002 179.0055 57.4601 -58.6622 -52.8655 -175.5548 68.0347 69.1217 -53.5677 -169.9782 -174.2475 63.0632 -53.3473 55.8974 178.4128 -64.6347 177.2394 -60.2452 56.7073 -66.464 56.0514 173.0039 177.8405 -1.8586 1.0415 -178.6575 -177.83 2.7551 -1.0389 179.5462 -0.4275 179.7394 179.2754 -0.5577 0.4225 -179.6555 179.8473 -0.2307 -0.2101 179.9916 179.6226 -0.1757 0.2125 -179.9891 -179.7091 0.0892 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 216 216 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9870 NPrTT= 49869 LenC2= 9277 LenP2D= 30917. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 8.12D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 Using GEDIIS/GDIIS optimizer. local minimum Step number 16 out of a maximum of 216 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00183 0.00230 0.00263 0.00524 0.00550 0.00855 0.01015 0.01375 0.01576 0.01909 0.01946 0.02036 0.02090 0.02107 0.02120 0.02122 0.02124 0.02143 0.02154 0.02268 0.03758 0.04170 0.04197 0.04622 0.04759 0.04915 0.04988 0.05277 0.05586 0.05630 0.05882 0.06238 0.06597 0.07024 0.07217 0.07994 0.08109 0.08159 0.08333 0.08439 0.08869 0.09744 0.12065 0.12985 0.14553 0.15526 0.15799 0.15974 0.15982 0.15999 0.16000 0.16011 0.16036 0.16086 0.16186 0.16934 0.18182 0.20457 0.21985 0.22070 0.23323 0.24643 0.25038 0.25850 0.26737 0.27800 0.28173 0.28468 0.28593 0.29142 0.29505 0.31344 0.32490 0.32611 0.32658 0.32724 0.32868 0.32909 0.32963 0.32991 0.33158 0.33380 0.34029 0.34123 0.34418 0.34499 0.34917 0.35022 0.35197 0.35824 0.37626 0.41876 0.41997 0.44784 0.45763 0.45934 0.45937 0.46032 0.46154 0.49308 0.51049 0.85066 RFO step: Lambda=-9.50029799D-09. 1 2 3 0.00159751 0.00000166 0.00000000 0.00000093 0.00000005 0.00000005 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 2.83140 2.65673 2.37705 2.60494 1.92159 1.91923 2.95362 2.94769 2.93052 2.95080 2.91112 2.08822 2.92505 2.09365 2.09308 2.91791 2.09349 2.08997 2.92118 2.09267 2.09505 2.09146 2.09285 2.68000 2.68758 2.08827 2.08778 2.08544 2.67304 2.06665 2.66604 2.07188 2.66791 2.07194 2.67280 2.07123 2.07086 2.02460 2.09983 2.07017 2.10990 1.90052 1.91562 1.89564 1.95800 1.92265 1.87042 1.86262 1.88226 1.86841 1.99736 1.93809 1.90936 1.98502 1.89355 1.90937 1.89233 1.90701 1.87326 1.95856 1.89440 1.89031 1.91997 1.93815 1.85917 1.94609 1.90221 1.92499 1.92034 1.91375 1.85422 1.93516 1.91913 1.90194 1.92832 1.90770 1.87022 2.13469 2.09564 2.05192 1.93968 1.91286 1.96168 1.87653 1.88453 1.88577 2.11714 2.09600 2.07004 2.11872 2.09651 2.06791 2.10112 2.08740 2.09466 2.09980 2.08708 2.09630 2.18321 1.90600 2.19396 2.07766 2.10352 2.10201 2.35761 -1.77175 0.28123 0.05114 -3.09602 0.07105 -3.07616 3.12637 -0.02084 1.19278 -0.88781 -3.05995 -0.95678 -3.03736 1.07369 -2.99646 1.20614 -0.96600 0.90795 -1.19926 3.04550 3.03193 0.92472 -1.11370 -1.16920 3.00677 0.96836 2.31124 -0.87796 0.19592 -2.99328 -1.91650 1.17749 1.01670 3.08838 -1.09764 3.09683 -1.11468 0.98249 -1.05174 1.01993 3.11711 -1.14077 3.01682 1.00494 0.92875 -1.19685 3.07445 3.11606 0.99046 -1.02142 -0.97142 -3.09474 1.15919 1.13647 -0.98685 -3.01610 -3.11027 1.04959 -0.97966 -0.93609 -3.07374 1.16438 1.17484 -0.96281 -3.00788 -3.05458 1.09095 -0.95411 0.95576 3.08806 -1.14127 3.06854 -1.08235 0.97150 -1.18132 0.95098 3.00482 3.09237 -0.05100 -0.00275 3.13706 -3.09641 0.05675 -0.00020 -3.13022 0.00218 -3.13973 -3.13766 0.00361 0.00375 -3.13501 3.13396 -0.00480 0.00140 3.14107 -3.13987 -0.00020 -0.00431 3.13920 3.13444 -0.00524 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00002 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 -0.00003 0.00003 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00008 0.00003 0.00000 -0.00001 -0.00003 -0.00014 0.00005 0.00009 -0.00001 0.00005 -0.00018 0.00013 -0.00002 0.00001 0.00004 0.00001 -0.00004 0.00003 -0.00001 -0.00007 0.00008 0.00000 -0.00002 -0.00001 0.00001 0.00002 0.00003 -0.00003 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00002 0.00005 0.00001 0.00000 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0.00000 -0.00001 0.00000 -0.00001 0.00009 0.00008 -0.00002 -0.00001 -0.00002 0.00000 0.00002 0.00001 0.00004 0.00002 0.00004 -0.00001 0.00003 -0.00001 -0.00001 -0.00001 0.00000 -0.00005 0.00001 -0.00002 0.00004 0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00001 -0.00002 0.00000 -0.00002 -0.00001 -0.00003 0.00000 -0.00001 -0.00006 -0.00001 -0.00002 0.00003 0.00000 0.00004 0.00000 -0.00003 -0.00005 0.00005 0.00000 -0.00001 -0.00004 0.00001 -0.00004 0.00009 -0.00006 0.00000 -0.00003 0.00000 0.00007 0.00003 -0.00002 0.00003 0.00004 -0.00003 -0.00002 0.00000 -0.00003 -0.00001 0.00000 -0.00001 0.00002 0.00004 0.00004 -0.00006 0.00000 -0.00002 0.00000 0.00002 0.00001 0.00002 -0.00003 0.00002 -0.00004 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00002 -0.00003 0.00002 0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00003 0.00004 0.00000 -0.00001 0.00000 0.00001 0.00004 0.00004 0.00011 -0.00025 -0.00033 -0.00020 -0.00028 -0.00024 -0.00033 -0.00007 -0.00006 -0.00015 -0.00005 -0.00004 -0.00012 -0.00013 -0.00012 -0.00021 0.00017 0.00021 0.00019 0.00019 0.00023 0.00021 0.00019 0.00024 0.00022 -0.00026 -0.00025 -0.00026 -0.00025 -0.00021 -0.00020 -0.00031 -0.00030 -0.00031 -0.00034 -0.00034 -0.00034 -0.00038 -0.00038 -0.00038 -0.00010 -0.00007 -0.00011 -0.00010 -0.00008 -0.00011 -0.00009 -0.00006 -0.00010 -0.00014 -0.00010 -0.00014 -0.00018 -0.00014 -0.00018 -0.00012 -0.00008 -0.00012 0.00010 0.00013 0.00013 0.00011 0.00014 0.00014 0.00008 0.00011 0.00011 0.00004 -0.00002 0.00000 0.00000 -0.00006 -0.00003 0.00005 -0.00001 0.00001 0.00006 0.00008 0.00004 0.00007 -0.00006 -0.00007 -0.00005 -0.00006 -0.00001 0.00000 -0.00004 -0.00002 0.00002 0.00003 0.00003 0.00003 -0.00002 0.00003 -0.00003 0.00002 0.00001 -0.00004 0.00001 -0.00005 0.00005 -0.00004 0.00000 0.00002 -0.00001 -0.00001 0.00000 -0.00007 0.00000 -0.00003 0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00000 0.00003 0.00000 0.00000 -0.00001 0.00000 -0.00004 0.00001 -0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00003 0.00002 -0.00002 0.00000 0.00000 0.00000 -0.00001 -0.00015 0.00002 -0.00002 0.00002 -0.00003 -0.00011 0.00005 0.00005 -0.00007 0.00010 -0.00018 0.00012 -0.00006 0.00001 -0.00001 0.00010 -0.00010 0.00003 -0.00003 -0.00007 0.00015 0.00003 -0.00004 0.00002 0.00005 0.00000 0.00001 -0.00003 -0.00004 0.00001 0.00002 -0.00003 0.00003 0.00001 0.00009 -0.00004 0.00000 -0.00003 -0.00002 0.00000 0.00016 -0.00014 -0.00001 0.00005 -0.00004 -0.00001 0.00001 -0.00003 0.00002 -0.00001 0.00001 0.00000 0.00003 -0.00007 0.00004 0.00001 -0.00001 -0.00001 -0.00003 0.00005 -0.00002 -0.00004 0.00003 0.00001 0.00001 0.00000 -0.00001 0.00205 0.00203 0.00218 -0.00027 -0.00026 -0.00034 -0.00033 -0.00013 -0.00012 -0.00015 -0.00019 -0.00033 -0.00013 -0.00017 -0.00030 -0.00022 -0.00026 -0.00040 0.00031 0.00044 0.00040 0.00018 0.00032 0.00028 0.00030 0.00044 0.00040 -0.00241 -0.00219 -0.00232 -0.00211 -0.00234 -0.00213 -0.00030 -0.00029 -0.00029 -0.00035 -0.00034 -0.00034 -0.00026 -0.00025 -0.00025 0.00001 0.00003 0.00003 -0.00012 -0.00010 -0.00010 -0.00004 -0.00002 -0.00002 -0.00018 -0.00012 -0.00015 -0.00025 -0.00020 -0.00023 -0.00018 -0.00012 -0.00015 0.00021 0.00021 0.00024 0.00021 0.00021 0.00024 0.00017 0.00017 0.00020 -0.00004 -0.00005 -0.00008 -0.00007 -0.00008 -0.00012 -0.00006 -0.00007 -0.00011 0.00027 0.00030 0.00006 0.00010 -0.00028 -0.00038 -0.00007 -0.00017 0.00000 0.00000 -0.00004 -0.00003 0.00002 0.00002 0.00012 0.00012 -0.00005 0.00002 -0.00005 0.00002 0.00004 -0.00003 0.00004 -0.00003 2.83144 2.65668 2.37705 2.60496 1.92158 1.91922 2.95362 2.94762 2.93053 2.95076 2.91115 2.08822 2.92504 2.09364 2.09309 2.91793 2.09349 2.08997 2.92121 2.09267 2.09504 2.09146 2.09285 2.67996 2.68759 2.08825 2.08778 2.08542 2.67305 2.06665 2.66601 2.07190 2.66789 2.07193 2.67280 2.07123 2.07086 2.02445 2.09985 2.07015 2.10992 1.90049 1.91552 1.89569 1.95806 1.92259 1.87052 1.86244 1.88238 1.86835 1.99737 1.93808 1.90946 1.98492 1.89358 1.90933 1.89226 1.90716 1.87329 1.95852 1.89442 1.89035 1.91996 1.93816 1.85914 1.94605 1.90221 1.92501 1.92031 1.91378 1.85424 1.93526 1.91909 1.90194 1.92830 1.90768 1.87021 2.13485 2.09550 2.05191 1.93974 1.91282 1.96167 1.87654 1.88450 1.88580 2.11713 2.09601 2.07004 2.11875 2.09643 2.06794 2.10113 2.08739 2.09466 2.09977 2.08712 2.09628 2.18317 1.90603 2.19397 2.07766 2.10352 2.10200 2.35966 -1.76972 0.28341 0.05088 -3.09628 0.07070 -3.07649 3.12624 -0.02096 1.19262 -0.88800 -3.06028 -0.95690 -3.03753 1.07338 -2.99668 1.20588 -0.96639 0.90826 -1.19882 3.04591 3.03211 0.92503 -1.11342 -1.16889 3.00721 0.96876 2.30883 -0.88015 0.19359 -2.99539 -1.91885 1.17536 1.01640 3.08809 -1.09793 3.09647 -1.11502 0.98214 -1.05201 1.01969 3.11685 -1.14075 3.01685 1.00497 0.92863 -1.19695 3.07436 3.11602 0.99044 -1.02144 -0.97160 -3.09486 1.15904 1.13622 -0.98705 -3.01633 -3.11045 1.04947 -0.97981 -0.93587 -3.07352 1.16462 1.17505 -0.96260 -3.00764 -3.05441 1.09113 -0.95391 0.95573 3.08802 -1.14136 3.06846 -1.08243 0.97138 -1.18138 0.95091 3.00472 3.09264 -0.05070 -0.00269 3.13716 -3.09669 0.05637 -0.00027 -3.13040 0.00217 -3.13973 -3.13770 0.00358 0.00377 -3.13499 3.13408 -0.00469 0.00135 3.14110 -3.13993 -0.00018 -0.00427 3.13917 3.13448 -0.00526 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.006689 0.001598 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.212486e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 2 3 3 3 4 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 17 5 16 16 16 35 36 5 6 10 11 7 18 8 19 20 9 21 22 9 23 24 25 26 12 13 27 28 29 14 30 15 31 17 32 17 33 34 1.4983 1.4059 1.2579 1.3785 1.0169 1.0156 1.563 1.5599 1.5508 1.5615 1.5405 1.105 1.5479 1.1079 1.1076 1.5441 1.1078 1.106 1.5458 1.1074 1.1087 1.1068 1.1075 1.4182 1.4222 1.1051 1.1048 1.1036 1.4145 1.0936 1.4108 1.0964 1.4118 1.0964 1.4144 1.096 1.0959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 5 16 16 35 5 5 5 6 6 10 1 1 1 4 4 7 4 4 4 8 8 19 5 5 5 9 9 21 6 6 6 9 9 23 7 7 7 8 8 25 4 4 12 4 4 4 27 27 28 10 10 14 10 10 15 12 12 17 13 13 17 1 1 2 14 14 15 1 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 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 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 16 35 36 36 6 10 11 10 11 11 4 7 18 7 18 18 8 19 20 19 20 20 9 21 22 21 22 22 9 23 24 23 24 24 8 25 26 25 26 26 12 13 13 27 28 29 28 29 29 14 30 30 15 31 31 17 32 32 17 33 33 2 3 3 15 34 34 116.001 120.3114 118.6121 120.8882 108.8919 109.757 108.6124 112.1853 110.1599 107.1672 106.7202 107.8455 107.0522 114.4401 111.0443 109.3982 113.7331 108.4924 109.3987 108.4227 109.2636 107.33 112.217 108.541 108.3066 110.0061 111.0477 106.5229 111.5025 108.9885 110.2941 110.0276 109.65 106.2393 110.8767 109.9581 108.9732 110.4848 109.3033 107.1555 122.3087 120.0713 117.5664 111.1357 109.5988 112.3958 107.5175 107.9757 108.0469 121.3032 120.092 118.6047 121.3936 120.1209 118.4823 120.3854 119.5993 120.0153 120.3099 119.5807 120.1093 125.0887 109.2056 125.7049 119.041 120.5226 120.4363 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 16 16 16 5 5 35 35 36 36 6 6 6 10 10 10 11 11 11 5 5 5 10 10 10 11 11 11 5 5 6 6 11 11 5 5 5 6 6 6 10 10 10 1 1 1 4 4 4 18 18 18 4 4 4 19 19 19 20 20 20 5 5 5 21 21 21 22 22 22 6 6 6 23 23 23 24 24 24 4 4 13 13 4 4 12 12 10 10 30 30 10 10 31 31 12 12 32 32 13 13 33 1 1 1 1 1 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 5 5 5 16 16 16 16 16 16 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 17 17 17 4 7 18 2 3 1 2 1 2 1 7 18 1 7 18 1 7 18 8 19 20 8 19 20 8 19 20 12 13 12 13 12 13 27 28 29 27 28 29 27 28 29 9 21 22 9 21 22 9 21 22 9 23 24 9 23 24 9 23 24 8 25 26 8 25 26 8 25 26 7 25 26 7 25 26 7 25 26 14 30 14 30 15 31 15 31 17 32 17 32 17 33 17 33 15 34 15 34 14 34 14 135.0813 -101.5138 16.1131 2.9304 -177.389 4.0707 -176.2512 179.128 -1.1938 68.341 -50.8678 -175.3221 -54.8192 -174.028 61.5177 -171.6843 69.1069 -55.3475 52.0217 -68.7126 174.4946 173.7168 52.9824 -63.8104 -66.9902 172.2754 55.4827 132.4241 -50.3034 11.2251 -171.5023 -109.8076 67.465 58.2525 176.9509 -62.89 177.435 -63.8666 56.2925 -60.2604 58.4379 178.597 -65.3611 172.8512 57.5788 53.2132 -68.5746 176.1531 178.5372 56.7494 -58.523 -55.6584 -177.3157 66.4168 65.1151 -56.5422 -172.8097 -178.2056 60.1371 -56.1304 -53.6338 -176.1122 66.714 67.3136 -55.1648 -172.3386 -175.0145 62.5071 -54.6667 54.7612 176.933 -65.3902 175.8143 -62.0139 55.6629 -67.6849 54.4869 172.1638 177.1797 -2.9221 -0.1577 179.7405 -177.4111 3.2518 -0.0114 -179.3485 0.1248 -179.8934 -179.7749 0.2069 0.2149 -179.623 179.5626 -0.2753 0.0802 179.9702 -179.9015 -0.0115 -0.247 179.8629 179.5901 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 0 0 0 0 0 214.1552999999999 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3.447726 3.445035 2.183017 2.184431 6.116068 1.095853 6.119693 6.107145 6.215934 8.164546 8.294526 8.401048 8.228163 9.387526 8.223839 5.958946 5.919645 7.207509 4.336255 4.335443 2.516826 2.519364 0.000000 2.397969 3.240102 1.016860 4.595432 3.891912 4.781087 4.662573 5.453232 4.851880 4.420140 6.084898 4.710009 4.713563 5.247937 5.247394 2.085446 5.504604 4.294632 3.983109 5.643988 5.706914 4.543325 5.865929 6.412930 5.740172 4.074261 6.330671 6.737954 6.579401 4.942547 4.943300 5.819335 5.814164 6.225945 0.000000 3.215746 2.602257 1.015613 5.505888 4.504674 6.069016 5.279045 6.686965 5.869045 5.252908 6.814128 5.797930 5.077116 6.157800 5.478861 2.067006 6.016441 4.493086 5.456185 6.983264 6.217668 4.879651 7.262300 7.526620 6.673942 5.225212 6.787506 7.584538 7.319916 6.273691 5.026089 6.850494 5.725449 6.620689 1.767997 0.000000 0.5922700 0.4175537 0.3055328 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 204 204 205 205 205 MxSgAt= 36 MxSgA2= 36. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9870 NPrTT= 49869 LenC2= 9250 LenP2D= 30724. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 8.62D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 202 203 203 204 205 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -748.736770620020 -748.777709307685 -0.040938687665 -749.026315574093 -0.248606266408 -748.998728375831 0.027587198262 -749.117681158331 -0.118952782500 -749.125285610154 -0.007604451823 -749.125799674084 -0.000514063931 -749.125911632315 -0.000111958230 -749.125914285650 -0.000002653335 -749.125803292582 0.000110993068 -749.125804116941 -0.000000824359 -749.125803933696 0.000000183245 -749.125804380722 -0.000000447026 -749.125804405749 -0.000000025027 -749.125804407036 -0.000000001288 -749.125804407236 -0.000000000199 -749.125804407266 -0.000000000030 -749.125804407274 -0.000000000008 -749.125804407 18 7.460140565052e+02 -4.310721018689e+03 1.533219637759e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953186. IVT= 150910 IEndB= 150910 NGot= 402653184 MDV= 166264559 LenX= 166264559 LenY= 166220854 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. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -8.33827072e-02 -3.23373856e-01 8.80262555e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000782269 -0.007234471 0.010688029 0.008209744 0.025090372 -0.055607293 0.007230744 -0.000127044 -0.004086252 -0.002007853 -0.000738117 -0.002793017 0.004294199 -0.000496757 -0.002368406 0.001918483 -0.000544343 0.005458915 -0.005634561 -0.000624865 -0.008095181 -0.001636752 -0.005792192 0.004731360 -0.006597475 -0.000172189 0.003921231 -0.009193770 -0.002019680 0.000484243 -0.000838144 -0.006445743 -0.002736335 -0.000130897 -0.005466473 0.004039500 -0.004571092 0.003237231 -0.008057823 0.006430598 -0.003637694 0.006177068 0.001870438 0.007657751 -0.006118805 -0.013663805 -0.001280450 0.051128080 0.008586580 0.005223401 0.001421166 -0.003215857 -0.004070064 0.005803453 0.000162619 -0.001459827 -0.001004002 -0.001264005 -0.001135639 -0.001136912 0.000371657 -0.000655316 0.000111483 0.002394211 0.000293174 -0.000969062 0.000121142 -0.000157860 0.000735457 -0.000503332 -0.000835854 -0.000852813 -0.001126337 -0.000600456 -0.000998892 0.001141446 -0.000951148 -0.000778968 0.001200967 0.004028593 -0.004734388 0.004424759 -0.002505838 0.002357841 -0.004139051 -0.003469967 -0.002584670 0.000037455 -0.001455991 0.002341884 0.001198116 0.001066791 0.000104180 0.003711435 -0.001704809 0.003558356 0.000754524 0.003803071 -0.002617638 0.005126113 0.003096822 0.000865551 -0.002202161 -0.007241064 0.006412863 -0.001677872 0.007326643 -0.004800201 0.055607293 0.008690204 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -749.135243339515 -749.135280682562 -0.000037343048 -749.135280797493 -0.000000114931 -749.135280814416 -0.000000016923 -749.135280884682 -0.000000070266 -749.135280885615 -0.000000000933 -749.135280885653 -0.000000000038 -749.135280885675 -0.000000000022 -749.135280885677 -0.000000000001 -749.135280886 9 7.452928119889e+02 -4.273542624829e+03 1.515143196112e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953186. IVT= 150910 IEndB= 150910 NGot= 402653184 MDV= 166264559 LenX= 166264559 LenY= 166220854 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. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.787229 -18.737426 -14.020967 -10.041744 -9.949715 -9.920026 -9.908364 -9.900035 -9.899239 -9.898854 -9.896242 -9.895445 -9.891813 -9.889312 -9.888280 -9.887338 -9.885435 -0.995623 -0.916095 -0.831986 -0.777458 -0.751798 -0.702170 -0.674251 -0.664733 -0.652389 -0.618490 -0.571226 -0.554748 -0.544633 -0.522342 -0.516766 -0.501245 -0.468140 -0.460841 -0.450190 -0.421154 -0.412007 -0.406376 -0.393505 -0.387595 -0.378490 -0.374425 -0.366026 -0.363848 -0.352237 -0.347336 -0.334437 -0.327164 -0.323891 -0.309777 -0.305361 -0.299034 -0.294251 -0.289688 -0.272832 -0.266377 -0.252806 -0.234748 -0.230176 -0.221102 -0.218633 -0.211885 -0.032042 -0.029025 0.002394 0.045755 0.079744 0.083333 0.090742 0.096526 0.101742 0.109830 0.112248 0.118928 0.120226 0.133354 0.136119 0.139759 0.141228 0.147517 0.153339 0.157559 0.167856 0.181754 0.182083 0.190978 0.195732 0.197150 0.205283 0.210652 0.215781 0.218296 0.220639 0.232200 0.241309 0.244871 0.254865 0.261355 0.270067 0.273698 0.277110 0.279946 0.295350 0.300774 0.311355 0.321265 0.324165 0.334086 0.348780 0.354021 0.362694 0.372732 0.377892 0.384221 0.388347 0.395723 0.405801 0.412032 0.415879 0.421290 0.425721 0.430759 0.439551 0.446674 0.457221 0.462702 0.475929 0.482194 0.487328 0.495519 0.507255 0.514449 0.527259 0.543958 0.557705 0.579208 0.586041 0.593636 0.603688 0.617952 0.632299 0.636739 0.652990 0.661656 0.701521 0.714782 0.748368 0.771976 0.787474 0.803718 0.814161 0.829792 0.865994 0.886279 0.894644 0.906412 0.919644 0.936547 0.946949 0.950688 0.969156 0.989710 1.016304 1.020512 1.032834 1.059080 1.071989 1.102069 1.105834 1.117909 1.121476 1.151163 1.157644 1.165313 1.180829 1.189140 1.190839 1.208432 1.248234 1.274010 1.298498 1.334886 1.368578 1.395140 1.429660 1.458255 1.487855 1.544374 1.692232 1.826036 22.331370 22.372210 22.514693 22.565343 22.570463 22.611971 22.620331 22.650911 22.670443 22.687034 22.691518 22.706995 22.765842 22.795306 31.450314 41.546633 41.562490 29.115861 29.117735 22.046077 15.960480 15.958760 15.958489 15.954891 15.955439 15.955392 15.956252 15.954334 15.954217 15.956615 15.957938 15.956817 15.958189 15.955852 2.412839 2.752991 2.064042 1.454341 1.430406 1.426226 1.496413 1.595318 1.587195 1.479119 1.571589 1.435023 1.516507 1.562812 1.410389 1.472304 1.243605 1.200209 1.465208 1.181695 1.247161 1.184642 1.323314 1.471747 1.508015 1.704904 1.199069 1.202620 1.193217 1.273821 1.287941 1.282576 1.239165 1.190231 1.604046 1.323593 1.324977 1.387825 1.397091 1.428305 1.486906 2.228093 1.932403 2.424604 1.147990 1.220578 1.394433 1.424301 2.416157 1.847949 1.169852 1.699738 1.189648 1.470426 1.136577 1.225398 1.191665 1.275704 1.326793 1.207625 1.287188 1.211024 1.265594 1.145453 1.355695 1.354324 1.625946 1.506523 1.198012 1.605316 1.361680 1.232597 1.315462 1.165842 1.395258 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57.394017 57.402519 57.381898 80.074401 105.843831 105.846185 7.452928119889D+02 PT4949.400S Thu Jan 4 02:05:34 2018 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 O O N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.308326 -0.268069 -0.608163 0.221479 -0.108623 -0.470462 -0.477288 -0.425445 -0.394965 0.489817 -0.793291 -0.394756 -0.401281 -0.271388 -0.282044 0.299224 -0.254346 0.262309 0.227375 0.188985 0.213093 0.220347 0.201135 0.201289 0.204227 0.213034 0.233407 0.233387 0.220854 0.225743 0.265122 0.225239 0.233369 0.230214 0.323982 0.324813 0.00000 -9.92003 -9.90836 -9.90004 -9.89924 -9.89885 -9.89624 -9.89545 -9.89181 -9.88931 -9.88828 -9.88734 -9.88544 -0.99562 -0.91610 -0.83199 -0.77746 -0.75180 -0.70217 -0.67425 -0.66473 -0.65239 -0.61849 -0.57123 -0.55475 -0.54463 -0.52234 -0.51677 -0.50124 -0.46814 -0.46084 -0.45019 -0.42115 -0.41201 -0.40638 -0.39350 -0.38760 -0.37849 -0.37442 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0.25026 0.51683 0.26290 0.51655 0.25761 0.51625 0.25742 0.48787 0.17781 0.48873 0.17398 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 O O N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.326708 -0.296399 -0.617619 0.189559 -0.069609 -0.474144 -0.462001 -0.430940 -0.388987 0.478919 -0.770748 -0.420224 -0.375668 -0.252172 -0.269919 0.312906 -0.247890 0.258872 0.218947 0.195819 0.208256 0.228041 0.199795 0.200135 0.202106 0.210638 0.225893 0.230697 0.218317 0.247541 0.232557 0.220266 0.225836 0.226321 0.334321 0.337285 0.00000 5.95883807e-03 -2.91500851e-01 9.46033267e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0151 -0.7409 2.4046 2.5162 -101.1027 -95.7276 -97.5981 4.2769 -2.3872 8.4242 -2.9599 2.4152 0.5447 4.2769 -2.3872 8.4242 28.4271 49.5872 13.4925 1.2074 15.2967 14.3910 10.1621 8.3016 31.6507 -24.2015 -2673.8863 -1726.7573 -654.7564 -89.4964 17.1260 -229.5080 127.2937 -44.7416 38.8950 -749.9787 -556.7496 -415.9217 15.8884 -74.2739 -56.9331 0 -749.1352809 3.779E-9 6.526E-6 -2.2006465,1.7956576,0.404989,3.1797734,-1.7748487,6.2631615 C01 [X(C14H19N1O2)] 0.0059588 -0.2915009 0.9460333 @ 0.000009149 0.000015170 0.000010300 -0.000002158 0.000004763 -0.000004774 -0.000000204 0.000003839 0.000011701 -0.000004449 0.000002081 -0.000000896 -0.000008582 -0.000008726 -0.000014518 -0.000001370 -0.000002420 -0.000006394 -0.000005046 0.000008064 -0.000007582 -0.000004087 -0.000002797 -0.000009360 0.000001567 0.000004958 0.000000669 0.000002593 -0.000001476 0.000013718 -0.000004800 0.000000449 -0.000007832 -0.000003778 -0.000000500 -0.000008401 0.000017183 -0.000001297 0.000008019 -0.000000060 -0.000003243 -0.000000711 0.000001608 -0.000008649 0.000010035 0.000011876 -0.000009429 0.000021695 -0.000005609 -0.000005977 0.000005302 0.000005500 0.000007857 0.000004008 -0.000003344 -0.000003378 -0.000005954 -0.000000473 -0.000001669 -0.000006911 -0.000003252 0.000007371 -0.000001903 -0.000002334 0.000004586 -0.000000822 -0.000005135 0.000000905 -0.000008000 -0.000002546 0.000004062 -0.000008952 0.000000666 0.000004856 -0.000010700 -0.000001430 -0.000000017 -0.000005300 -0.000001500 0.000003957 0.000003161 -0.000003793 0.000005643 -0.000003150 0.000002733 0.000008891 -0.000002637 -0.000000652 -0.000006575 -0.000000149 0.000006628 -0.000000470 0.000001690 -0.000003882 -0.000009804 0.000001679 0.000003980 -0.000001279 0.000010832 -0.000000077 -0.000010176 0.000006857 -0.000004585 -0.000002869 -0.000000367 0.000009667 -0.000006699 0.000005646 214.1552999999999 AuxInfo=1/0/N:11,17,14,15,9,8,12,13,7,6,10,5,16,4,3,2,1/E:(3,4)(7,8)/CRV:2.3,3.3,4.3,7.3,8.3,11.3,13.3,16.1/rA:36OO1NCCCCCCC3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;s1s4;s4;s5;s6;s7s8;s4;s4;s10;s10;s12;s13;s1s2s3;s14s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s13;s14;s15;s17;s3;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2073 CBGUSER 000230732 EM64L-G09RevD.01 4-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C14H19NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 214.1552999999999 0 1 AuxInfo=1/0/N:11,17,14,15,9,8,12,13,7,6,10,5,16,4,3,2,1/E:(3,4)(7,8)/CRV:2.3,3.3,4.3,7.3,8.3,11.3,13.3,16.1/rA:36OO1NCCCCCCC3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;s1s4;s4;s5;s6;s7s8;s4;s4;s10;s10;s12;s13;s1s2s3;s14s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s13;s14;s15;s17;s3;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21568.inp" -scrdir="/scratch/" chk=000230732-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 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 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000230732 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000609 0.000088 0.096521 0.028683 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -1.901788e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1263.9713015813 208 484 208 63 63 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214.1552999999999 AuxInfo=1/0/N:11,17,14,15,9,8,12,13,7,6,10,5,16,4,3,2,1/E:(3,4)(7,8)/CRV:2.3,3.3,4.3,7.3,8.3,11.3,13.3,16.1/rA:36OO1NCCCCCCC3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;s1s4;s4;s5;s6;s7s8;s4;s4;s10;s10;s12;s13;s1s2s3;s14s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s13;s14;s15;s17;s3;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.364718 0.000000 2.269739 2.346563 0.000000 2.456694 4.097190 4.596204 0.000000 1.498311 2.804471 3.652621 1.562987 0.000000 2.986544 5.131554 5.070387 1.559852 2.540642 0.000000 2.456164 3.590888 4.451692 2.609304 1.540500 2.975177 0.000000 3.581758 5.611942 5.696268 2.602415 2.974218 1.547870 2.544596 0.000000 3.008667 4.751243 4.947657 3.051316 2.560507 2.557251 1.544094 1.545820 0.000000 2.849125 4.184407 4.444433 1.550766 2.546854 2.581634 3.948638 3.972258 4.444506 0.000000 3.829296 4.993740 5.968111 1.561493 2.537536 2.559352 3.155890 3.152214 3.762488 2.504517 0.000000 3.705874 5.281955 4.991684 2.601366 3.745472 2.919537 5.039834 4.465193 5.192330 1.418194 3.541962 0.000000 3.321679 3.779056 4.476298 2.576395 3.026495 3.905591 4.529638 5.158967 5.382741 1.422206 3.123295 2.429146 0.000000 4.707715 5.919440 5.513688 3.903223 4.906240 4.331038 6.307566 5.877290 6.554262 2.469146 4.703704 1.414512 2.811777 0.000000 4.407122 4.620846 5.046694 3.884556 4.377407 5.048153 5.903398 6.418974 6.703108 2.470513 4.395249 2.813919 1.410808 2.435637 0.000000 1.405879 1.257878 1.378475 3.618250 2.463394 4.370986 3.343310 4.938021 4.160328 3.683720 4.831521 4.572486 3.642863 5.283765 4.497302 0.000000 5.010842 5.644445 5.546328 4.415202 5.171810 5.229523 6.682047 6.731616 7.217664 2.865474 5.060995 2.452394 2.450502 1.411797 1.414387 5.260261 0.000000 2.106437 2.301136 3.814403 2.214598 1.105036 3.514426 2.173712 3.981446 3.509350 2.815736 2.749643 4.177206 2.750916 5.146609 4.068901 2.468788 5.113093 0.000000 2.676435 5.001137 4.447948 2.181032 2.829507 1.107914 3.377991 2.169627 2.824072 2.753797 3.507795 2.796447 4.073698 4.111397 5.067178 4.028884 5.092697 3.848171 0.000000 3.993514 6.087043 5.994469 2.192629 3.503901 1.107612 3.980202 2.180354 3.509676 2.854113 2.754119 2.814299 4.233016 4.156447 5.223705 5.344141 5.202130 4.365261 1.784752 0.000000 3.411976 4.234278 5.433303 2.912871 2.164664 3.415832 1.107828 2.851402 2.186770 4.329379 2.867673 5.502666 4.817548 6.773553 6.225348 4.222179 7.089755 2.468949 4.084093 4.245152 0.000000 2.653197 3.192343 4.184328 3.540143 2.160229 3.967544 1.105963 3.511794 2.198640 4.701584 4.134750 5.825328 5.080667 7.007500 6.396416 3.116750 7.262287 2.475997 4.184578 5.018004 1.774073 0.000000 4.327675 6.488924 6.261581 3.543157 3.974272 2.176622 3.505032 1.107392 2.188239 4.751410 4.140204 4.976320 6.036417 6.353922 7.213863 5.691379 7.359148 5.024664 2.467331 2.503741 3.864763 4.356054 0.000000 4.348617 6.146686 6.558475 2.913207 3.407004 2.194400 2.850093 1.108651 2.184321 4.360120 2.870635 4.953716 5.457826 6.356099 6.755150 5.650761 7.147907 4.240880 3.092709 2.498520 2.711083 3.869396 1.772591 0.000000 4.011391 5.517205 5.806868 4.054872 3.513997 3.518992 2.185353 2.193609 1.106756 5.505605 4.519895 6.263786 6.408678 7.639507 7.755585 5.035324 8.306070 4.338765 3.836114 4.350372 2.494535 2.556224 2.547975 2.494957 0.000000 2.706545 4.594868 4.304127 3.453355 2.851887 2.838950 2.173185 2.178978 1.107489 4.603975 4.497333 5.195557 5.554370 6.485152 6.773070 3.792131 7.186352 3.844905 2.655397 3.840272 3.091022 2.491624 2.489509 3.092709 1.781721 0.000000 4.097140 4.721808 6.050849 2.214457 2.774078 3.529843 3.531143 4.132779 4.480851 2.754592 1.105065 3.968471 2.829338 4.920091 4.054434 4.822360 4.964543 2.525242 4.363824 3.789937 3.141634 4.327483 5.169918 3.851448 5.211528 5.192969 0.000000 4.633969 5.930497 6.722403 2.194584 3.502249 2.825617 4.161518 3.587503 4.527092 2.715775 1.104807 3.382768 3.435467 4.449600 4.489918 5.686873 4.924434 3.761111 3.783551 2.566844 3.886094 5.183742 4.400962 3.227312 5.272428 5.228065 1.782338 0.000000 4.231108 5.403269 6.456579 2.229176 2.830564 2.806251 2.866173 2.812832 3.364650 3.494450 1.103570 4.491670 4.149857 5.731200 5.465279 5.278129 6.149532 3.128901 3.850413 3.064047 2.288505 3.866490 3.803870 2.222013 3.896028 4.293110 1.786548 1.787146 0.000000 3.991549 5.906548 5.390446 2.819611 4.061384 2.517885 5.124575 4.019289 4.949453 2.182333 3.791732 1.093626 3.429246 2.162893 3.907287 5.057538 3.431901 4.719087 2.290981 2.185206 5.617871 5.981632 4.316463 4.567391 5.973460 4.913477 4.467053 3.533846 4.574526 0.000000 3.326539 3.234512 4.501792 2.778241 2.785318 4.287988 4.182245 5.300763 5.298280 2.188547 3.065265 3.431379 1.096391 3.907871 2.160497 3.444038 3.432510 2.135307 4.576888 4.763154 4.345237 4.603992 6.286597 5.500605 6.239666 5.568446 2.471109 3.627701 3.955891 4.350506 0.000000 5.543681 6.884923 6.221039 4.775879 5.840221 4.931063 7.175552 6.464689 7.250655 3.455342 5.582735 2.176019 3.908148 1.096420 3.432808 6.154986 2.178059 6.173143 4.606434 4.605899 7.675110 7.898120 6.785628 6.977809 8.321175 7.112713 5.896146 5.209254 6.567742 2.479670 5.004283 0.000000 5.080826 4.790726 5.464005 4.748061 5.033202 6.025294 6.531760 7.325387 7.487839 3.456505 5.115554 3.909890 2.172181 3.432667 1.096048 4.911630 2.181094 4.514044 6.070408 6.250751 6.795853 6.909363 8.175711 7.617081 8.509030 7.574032 4.573527 5.272217 6.150813 5.003302 2.474751 4.344640 0.000000 5.995800 6.456806 6.270311 5.510936 6.231989 6.292836 7.752688 7.807190 8.294917 3.961327 6.111426 3.447726 3.445036 2.183017 2.184432 6.116069 1.095853 6.119694 6.107146 6.215934 8.164546 8.294527 8.401048 8.228163 9.387527 8.223840 5.958946 5.919646 7.207509 4.336256 4.335444 2.516826 2.519365 0.000000 2.397969 3.240102 1.016860 4.595433 3.891913 4.781088 4.662573 5.453232 4.851880 4.420140 6.084899 4.710009 4.713564 5.247938 5.247395 2.085447 5.504605 4.294633 3.983110 5.643989 5.706914 4.543326 5.865930 6.412930 5.740172 4.074262 6.330672 6.737954 6.579401 4.942547 4.943301 5.819335 5.814164 6.225946 0.000000 3.215746 2.602256 1.015613 5.505889 4.504674 6.069016 5.279044 6.686965 5.869045 5.252907 6.814128 5.797930 5.077116 6.157801 5.478861 2.067006 6.016441 4.493086 5.456186 6.983263 6.217668 4.879651 7.262300 7.526619 6.673942 5.225212 6.787505 7.584537 7.319915 6.273690 5.026089 6.850494 5.725448 6.620689 1.767997 0.000000 C14H19NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214.1552999999999 AuxInfo=1/0/N:11,17,14,15,9,8,12,13,7,6,10,5,16,4,3,2,1/E:(3,4)(7,8)/CRV:2.3,3.3,4.3,7.3,8.3,11.3,13.3,16.1/rA:36OO1NCCCCCCC3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;s1s4;s4;s5;s6;s7s8;s4;s4;s10;s10;s12;s13;s1s2s3;s14s15;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s11;s12;s13;s14;s15;s17;s3;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5922699 0.4175537 0.3055328 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9870 NPrTT= 49869 LenC2= 9250 LenP2D= 30724. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 8.62D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 203 203 203 203 203 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -748.755351907760 -748.751199728316 0.004152179444 -749.002363873610 -0.251164145294 -748.836796674774 0.165567198836 -749.096063533428 -0.259266858654 -749.133804412880 -0.037740879452 -749.134652996813 -0.000848583933 -749.134871867934 -0.000218871122 -749.134894803197 -0.000022935263 -749.134897983435 -0.000003180238 -749.135268610516 -0.000370627081 -749.135269306826 -0.000000696310 -749.135269193208 0.000000113618 -749.135269475923 -0.000000282715 -749.135269500099 -0.000000024177 -749.135269501501 -0.000000001402 -749.135269501833 -0.000000000331 -749.135269501868 -0.000000000035 -749.135269501843 0.000000000025 -749.135269502 19 7.452928329818e+02 -4.273542329099e+03 1.515142925035e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=240953534. IVT= 151258 IEndB= 151258 NGot= 402653184 MDV= 166264211 LenX= 166264211 LenY= 166220506 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. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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. MDV= 402652612 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=240812806. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 9.14D-15 1.00D-09 XBig12= 2.30D+02 7.42D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 9.14D-15 1.00D-09 XBig12= 4.72D+01 1.75D+00. 108 vectors produced by pass 2 Test12= 9.14D-15 1.00D-09 XBig12= 1.64D-01 6.27D-02. 108 vectors produced by pass 3 Test12= 9.14D-15 1.00D-09 XBig12= 6.41D-05 7.59D-04. 58 vectors produced by pass 4 Test12= 9.14D-15 1.00D-09 XBig12= 1.04D-08 1.28D-05. 5 vectors produced by pass 5 Test12= 9.14D-15 1.00D-09 XBig12= 8.02D-13 1.07D-07. 3 vectors produced by pass 6 Test12= 9.14D-15 1.00D-09 XBig12= 4.74D-16 2.46D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 498 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 154.74 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 179.670 -13.660 143.737 7.165 11.475 140.810 285.323 -29.072 236.622 19.514 47.012 286.959 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2692.800S Thu Jan 4 02:17:04 2018 -18.78723 -18.73743 -14.02097 -10.04174 -9.94971 -9.92002 -9.90838 -9.90005 -9.89925 -9.89886 -9.89626 -9.89546 -9.89181 -9.88930 -9.88827 -9.88734 -9.88543 -0.99562 -0.91610 -0.83199 -0.77747 -0.75180 -0.70217 -0.67425 -0.66474 -0.65239 -0.61849 -0.57123 -0.55475 -0.54464 -0.52234 -0.51677 -0.50125 -0.46815 -0.46084 -0.45020 -0.42115 -0.41201 -0.40637 -0.39351 -0.38759 -0.37849 -0.37442 -0.36603 -0.36385 -0.35224 -0.34733 -0.33444 -0.32717 -0.32389 -0.30978 -0.30536 -0.29904 -0.29425 -0.28969 -0.27283 -0.26638 -0.25281 -0.23475 -0.23018 -0.22110 -0.21864 -0.21189 -0.03205 -0.02903 0.00239 0.04575 0.07975 0.08334 0.09073 0.09652 0.10175 0.10984 0.11225 0.11893 0.12023 0.13335 0.13611 0.13976 0.14122 0.14752 0.15334 0.15756 0.16786 0.18175 0.18208 0.19098 0.19573 0.19714 0.20528 0.21065 0.21578 0.21829 0.22064 0.23218 0.24131 0.24487 0.25486 0.26133 0.27009 0.27369 0.27711 0.27995 0.29535 0.30077 0.31135 0.32127 0.32417 0.33408 0.34873 0.35403 0.36265 0.37272 0.37786 0.38427 0.38835 0.39570 0.40580 0.41204 0.41584 0.42124 0.42571 0.43076 0.43955 0.44670 0.45722 0.46270 0.47595 0.48220 0.48732 0.49552 0.50725 0.51445 0.52727 0.54397 0.55773 0.57920 0.58604 0.59363 0.60367 0.61796 0.63235 0.63674 0.65301 0.66155 0.70154 0.71477 0.74835 0.77198 0.78747 0.80371 0.81414 0.82979 0.86601 0.88625 0.89464 0.90642 0.91965 0.93655 0.94694 0.95069 0.96914 0.98970 1.01630 1.02050 1.03283 1.05903 1.07200 1.10206 1.10583 1.11792 1.12147 1.15116 1.15764 1.16532 1.18083 1.18914 1.19084 1.20845 1.24822 1.27401 1.29850 1.33487 1.36856 1.39513 1.42966 1.45826 1.48787 1.54438 1.69223 1.82606 22.33136 22.37221 22.51470 22.56533 22.57046 22.61198 22.62033 22.65092 22.67044 22.68703 22.69151 22.70699 22.76584 22.79530 31.45031 41.54663 41.56249 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 O O N C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.326764 -0.296416 -0.617539 0.189310 -0.069121 -0.474113 -0.462088 -0.430499 -0.389178 0.478776 -0.770754 -0.420194 -0.375633 -0.252147 -0.269808 0.312874 -0.247925 0.258766 0.218905 0.195795 0.208243 0.228043 0.199704 0.199986 0.202116 0.210656 0.225917 0.230715 0.218313 0.247509 0.232518 0.220268 0.225804 0.226358 0.334315 0.337288 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 O O N C C C C C C C C C C C C C C -0.326764 -0.296416 0.054063 0.189310 0.189645 -0.059413 -0.025802 -0.030808 0.023595 0.478776 -0.095809 -0.172685 -0.143115 -0.031879 -0.044004 0.312874 -0.021568 0.00000 7.28558594e-02 -3.18335786e-01 -9.34406972e-01 1.79669795e+02 -1.36601624e+01 1.43737276e+02 7.16534571e+00 1.14748361e+01 1.40809721e+02 -21.7095 -7.0512 -4.3808 -0.0004 0.0004 0.0008 11.1033 28.1704 50.8265 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 8.2867 28.0355 50.7541 78.2602 96.5339 150.2834 178.9566 196.7036 214.5512 234.2467 271.5241 281.8874 301.2727 321.6151 369.3480 388.8956 402.7959 447.7405 473.6543 482.6516 483.7642 513.2824 547.8566 565.2768 606.9514 617.4371 631.4313 699.3122 703.6733 712.2458 768.5606 782.9617 818.1369 834.4324 849.2240 863.7591 894.8718 906.6750 917.2287 962.0940 973.2509 975.2370 986.5354 991.0374 992.1308 1005.9448 1027.2234 1056.1874 1058.2119 1078.8424 1085.4720 1101.0717 1125.7855 1143.7804 1172.5467 1172.7574 1198.5806 1215.8356 1229.3147 1258.8064 1277.3530 1292.1659 1314.2183 1323.3030 1335.8044 1339.3283 1343.0885 1352.3585 1368.8217 1377.0382 1390.1992 1432.9099 1456.6845 1457.8391 1464.7289 1474.3655 1478.2009 1484.2239 1488.8679 1585.5368 1588.8395 1612.0096 1678.4544 2971.9051 2976.9419 2984.7154 2984.9645 2990.8922 3025.4465 3035.8092 3036.9840 3043.7925 3053.9913 3078.3753 3086.4718 3117.7227 3124.4417 3138.5311 3154.2883 3166.3789 3558.8868 3717.9948 6.3372 4.5399 4.5771 3.4533 4.1276 3.3379 2.8452 2.5951 1.7577 2.6574 3.0312 3.3065 2.7466 2.6518 1.9944 3.4017 2.8207 3.2730 2.1744 2.8683 1.2133 1.0589 3.2048 3.4647 5.3035 6.1328 3.1872 7.3052 1.7864 3.2860 2.0003 1.8567 2.9860 2.3774 1.2720 2.2630 1.6710 1.8194 1.7216 2.1695 1.9891 1.6882 2.7418 3.0704 1.6423 1.8927 2.3806 1.9319 1.9900 1.7934 1.7267 1.4107 1.7724 2.1772 1.0537 1.7550 1.2083 2.2358 1.9829 1.4061 1.3469 1.5684 1.3835 1.4628 1.9885 1.4783 1.4296 1.5899 1.4434 4.9928 1.2207 2.2510 1.0911 1.0831 1.0842 1.0847 1.1281 1.2221 1.5323 1.2259 5.8682 6.0188 6.9563 1.0594 1.0605 1.0584 1.0411 1.0624 1.0967 1.0950 1.0925 1.0996 1.1028 1.0993 1.0989 1.0844 1.0877 1.0934 1.0961 1.0976 1.0444 1.1057 0.0003 0.0021 0.0069 0.0125 0.0227 0.0444 0.0537 0.0592 0.0477 0.0859 0.1317 0.1548 0.1469 0.1616 0.1603 0.3031 0.2696 0.3866 0.2874 0.3937 0.1673 0.1644 0.5667 0.6523 1.1511 1.3775 0.7487 2.1049 0.5212 0.9822 0.6962 0.6706 1.1776 0.9753 0.5405 0.9948 0.7884 0.8812 0.8534 1.1832 1.1101 0.9460 1.5722 1.7768 0.9524 1.1284 1.4800 1.2698 1.3130 1.2298 1.1987 1.0076 1.3235 1.6782 0.8535 1.4221 1.0227 1.9473 1.7655 1.3127 1.2949 1.5429 1.4078 1.5092 2.0905 1.5624 1.5194 1.7132 1.5934 5.5781 1.3900 2.7231 1.3641 1.3562 1.3705 1.3892 1.4523 1.5861 2.0012 1.8158 8.7279 9.2149 11.5464 5.5129 5.5371 5.5553 5.4656 5.5995 5.9146 5.9457 5.9368 6.0021 6.0600 6.1376 6.1676 6.2102 6.2563 6.3456 6.4256 6.4839 7.7936 9.0057 1.7242 0.0455 6.0570 3.2161 2.3164 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