Gaussian 09 GINC-KIMIK2027 CBGUSER 000242040 EM64L-G09RevD.01 1-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 256.16879999999986 0 1 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26017.inp" -scrdir="/scratch/" chk=000242040.chk nprocshared=4 mem=7GB #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 000242040 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 3 4 4 5 5 5 6 6 7 7 8 8 10 10 11 11 12 12 13 13 14 15 15 16 16 18 19 19 19 20 20 20 5 9 14 19 9 17 20 6 7 21 8 10 11 12 9 13 15 22 14 23 16 24 18 25 17 18 26 17 27 28 29 30 31 32 33 34 1.5049 1.4282 1.4148 1.4828 1.2223 1.4118 1.4833 1.5247 1.5328 1.1078 1.4121 1.4082 1.4162 1.4162 1.4839 1.4091 1.4167 1.0948 1.4085 1.0933 1.4114 1.0931 1.4121 1.0947 1.4262 1.4193 1.0956 1.4104 1.0946 1.095 1.1053 1.1061 1.1005 1.1041 1.1064 1.1005 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 14 17 1 1 1 6 6 7 5 5 8 5 5 11 6 6 9 1 1 3 6 6 15 7 7 14 7 7 16 8 8 18 2 2 11 10 10 18 12 12 17 4 4 14 13 13 15 2 2 2 29 29 30 4 4 4 32 32 33 1 2 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 9 19 20 6 7 21 7 21 21 8 10 10 11 12 12 9 13 13 3 8 8 15 22 22 14 23 23 16 24 24 18 25 25 11 17 17 18 26 26 17 27 27 14 16 16 15 28 28 29 30 31 30 31 31 32 33 34 33 34 34 110.257 114.3271 115.2477 103.7647 108.5594 105.1337 117.6257 110.9129 109.9205 108.7884 131.2201 119.9425 118.7609 122.1832 119.0195 109.7994 122.246 127.9092 121.9949 107.1434 130.8477 118.3535 121.6983 119.9332 120.784 120.5506 118.6343 120.3453 120.8454 118.8074 117.8547 120.1762 121.9646 118.1502 121.8004 120.0149 121.2943 119.333 119.3714 120.7116 121.1965 118.0915 122.7482 118.1264 119.0484 120.2744 120.0946 119.6243 111.0201 109.8943 105.4545 109.9451 110.5367 109.9048 111.0782 109.7562 105.373 109.9767 110.6763 109.8887 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 9 5 5 19 19 14 14 14 20 20 17 17 17 1 1 7 7 21 21 1 1 6 6 21 21 5 5 10 10 5 5 8 8 5 5 12 12 5 5 11 11 6 6 13 13 6 6 9 9 6 6 22 22 7 7 23 23 7 7 24 24 8 8 25 25 2 2 11 11 10 10 26 26 12 12 27 27 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 5 5 5 9 9 14 14 19 19 19 17 17 20 20 20 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 10 10 10 10 11 11 11 11 12 12 12 12 9 9 9 9 13 13 13 13 15 15 15 15 14 14 14 14 16 16 16 16 18 18 18 18 17 17 17 17 18 18 18 18 17 17 17 17 6 7 21 3 8 11 17 29 30 31 14 16 32 33 34 8 10 8 10 8 10 11 12 11 12 11 12 9 13 9 13 15 22 15 22 14 23 14 23 16 24 16 24 1 3 1 3 18 25 18 25 18 26 18 26 2 17 2 17 17 27 17 27 15 28 15 28 4 16 4 16 13 28 13 28 4 14 4 14 5.0785 -120.784 121.6272 177.2312 -3.992 115.2218 -66.9176 56.3919 -65.4576 176.1376 -60.9601 122.2649 52.8061 -69.0282 172.7015 -4.2879 173.0993 115.5846 -67.0281 -116.7056 60.6817 -28.6177 153.5991 -145.9403 36.2765 85.8761 -91.9071 2.0798 179.8079 -175.6524 2.0756 -178.946 -0.3604 -1.8007 176.7849 -177.6739 4.3834 0.1806 -177.7622 176.1878 -4.3167 -1.5899 177.9056 1.1541 179.7827 -176.4103 2.2182 -0.7521 -179.997 176.5382 -2.7066 0.3091 179.9004 -178.3022 1.2891 -179.8743 2.2255 -1.8928 -179.793 0.5835 -179.1691 -178.9222 1.3253 -0.7703 -179.8268 178.4602 -0.5963 2.2292 178.9757 -179.9492 -3.2027 0.9967 -179.9423 -178.5944 0.4665 178.7097 1.8123 -1.5303 -178.4276 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 185 204 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 34 34 34 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= 11026 NPrTT= 57078 LenC2= 9570 LenP2D= 31003. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 228 RedAO= T EigKep= 4.13D-04 NBF= 228 NBsUse= 228 1.00D-06 EigRej= -1.00D+00 NBFU= 228 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 185 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00117 0.00517 0.00569 0.00628 0.01245 0.01265 0.01420 0.01441 0.01648 0.01712 0.01832 0.01837 0.01858 0.01874 0.01899 0.01908 0.01935 0.01940 0.01945 0.01949 0.01975 0.02045 0.02525 0.03717 0.04414 0.04724 0.05823 0.08797 0.09858 0.09923 0.10507 0.10561 0.13218 0.15641 0.15825 0.15991 0.15999 0.16000 0.16000 0.16001 0.16002 0.16010 0.16016 0.16114 0.16160 0.16265 0.19307 0.21337 0.22005 0.22368 0.22581 0.22830 0.23598 0.24499 0.24750 0.25049 0.25074 0.25366 0.26957 0.28368 0.29104 0.30143 0.32123 0.32851 0.32940 0.32993 0.33045 0.33204 0.33414 0.33622 0.33635 0.34176 0.34243 0.34268 0.34273 0.34291 0.34419 0.34482 0.34658 0.35782 0.37388 0.39791 0.40198 0.40307 0.41248 0.42563 0.42736 0.42936 0.43169 0.43462 0.43746 0.43984 0.44094 0.44734 0.46319 0.74707 RFO step: Lambda=-3.78171631D-07. 1 2 3 0.00242798 0.00000212 0.00000000 0.00000123 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 R28 R29 R30 R31 R32 R33 R34 R35 R36 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 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 2.86319 2.70202 2.67285 2.80414 2.34820 2.66673 2.80253 2.87774 2.86584 2.09104 2.66450 2.65805 2.67078 2.68030 2.81146 2.66356 2.67663 2.06932 2.66541 2.07118 2.66043 2.06998 2.66944 2.06879 2.69259 2.68470 2.07049 2.67148 2.06842 2.06961 2.08814 2.09010 2.07945 2.08689 2.09054 2.07933 1.92360 1.99619 2.01095 1.80597 1.92693 1.83692 2.02971 1.93854 1.91369 1.90983 2.26804 2.10525 2.09151 2.11124 2.08016 1.91299 2.12750 2.24269 2.13244 1.87199 2.27875 2.05979 2.11609 2.10727 2.11034 2.11544 2.05718 2.09790 2.09500 2.09025 2.05544 2.09974 2.12800 2.06244 2.13195 2.08843 2.11528 2.08545 2.08246 2.10564 2.11984 2.05764 2.14008 2.05934 2.08269 2.10309 2.09423 2.08586 1.93775 1.91840 1.83941 1.91649 1.93081 1.91980 1.93992 1.91728 1.83741 1.91676 1.93273 1.91844 -0.02553 -2.20911 2.01034 -3.12673 0.01694 2.03568 -1.13466 1.00515 -1.11880 3.09638 -1.07341 2.11852 0.99817 -1.12680 3.09166 0.02504 -3.12917 2.14069 -1.01352 -1.93785 1.19112 -1.90409 1.21227 2.32905 -0.83777 0.11203 -3.05479 -0.01607 3.12470 3.13677 -0.00564 -3.12209 0.02812 0.00566 -3.12731 3.13172 0.01303 0.01491 -3.10378 3.13823 0.00526 -0.02843 3.12178 -0.00044 -3.13972 -3.14114 0.00276 0.00125 -3.14051 -3.14133 0.00009 -0.00159 3.14120 3.13143 -0.00896 3.13873 0.02515 -0.02502 -3.13860 0.00166 -3.12674 3.13466 0.00626 0.00285 -3.14077 -3.13857 0.00100 0.02858 3.11919 3.14101 -0.05157 -0.00270 3.14090 3.13769 -0.00189 3.13140 0.03844 -0.02293 -3.11589 -0.00001 0.00015 -0.00003 0.00005 0.00030 0.00006 -0.00002 -0.00004 0.00000 0.00004 0.00000 0.00000 -0.00001 0.00003 0.00008 -0.00001 0.00000 0.00000 -0.00004 0.00000 0.00003 -0.00001 0.00001 0.00001 0.00008 0.00000 0.00000 -0.00006 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00002 0.00011 -0.00006 0.00001 -0.00003 -0.00001 0.00004 -0.00004 0.00002 0.00003 -0.00003 0.00001 -0.00006 0.00006 0.00000 0.00002 -0.00001 -0.00001 0.00004 -0.00007 0.00004 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00004 0.00007 -0.00003 -0.00001 0.00000 0.00001 -0.00003 0.00002 0.00001 -0.00006 0.00003 0.00004 0.00001 -0.00001 0.00000 0.00002 0.00002 -0.00002 -0.00002 0.00000 -0.00001 -0.00003 0.00002 0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00002 -0.00002 0.00002 -0.00003 -0.00001 -0.00005 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00003 0.00002 -0.00004 0.00000 0.00000 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00003 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00002 0.00000 0.00032 0.00002 0.00001 0.00001 0.00022 -0.00002 0.00001 -0.00007 -0.00002 0.00002 -0.00003 0.00002 0.00000 0.00002 0.00014 -0.00001 0.00000 0.00001 -0.00005 -0.00001 0.00003 -0.00002 0.00001 0.00001 0.00005 -0.00001 0.00000 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00003 -0.00006 0.00009 -0.00002 -0.00017 -0.00025 0.00026 -0.00003 0.00013 0.00005 -0.00005 0.00000 -0.00009 0.00012 -0.00003 0.00004 -0.00001 -0.00004 0.00007 -0.00004 -0.00004 0.00001 -0.00002 0.00001 -0.00001 -0.00006 0.00007 0.00003 -0.00002 -0.00001 0.00002 0.00000 -0.00001 0.00001 -0.00006 0.00004 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00000 0.00000 -0.00003 0.00004 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00003 0.00002 0.00005 -0.00002 -0.00001 0.00031 0.00011 0.00017 0.00032 -0.00040 -0.00051 -0.00066 0.00039 0.00037 0.00036 -0.00001 0.00022 -0.00035 -0.00039 -0.00037 -0.00010 -0.00021 -0.00017 -0.00029 0.00021 0.00010 0.00358 0.00360 0.00356 0.00358 0.00327 0.00328 -0.00014 -0.00007 -0.00004 0.00003 0.00009 -0.00001 -0.00004 -0.00013 0.00020 0.00017 0.00018 0.00015 -0.00024 -0.00029 -0.00022 -0.00027 0.00034 -0.00046 0.00026 -0.00054 0.00001 -0.00003 0.00010 0.00005 0.00000 0.00001 0.00009 0.00010 -0.00016 -0.00001 -0.00013 0.00002 0.00009 0.00006 0.00014 0.00010 -0.00006 -0.00004 -0.00001 0.00001 0.00026 0.00003 0.00010 -0.00012 0.00005 0.00004 0.00004 0.00003 -0.00014 0.00008 -0.00010 0.00012 -0.00039 0.00040 -0.00014 0.00011 0.00015 0.00017 -0.00006 -0.00015 0.00002 0.00009 0.00004 -0.00006 0.00002 0.00003 0.00014 -0.00001 0.00001 0.00001 -0.00005 0.00002 0.00006 0.00000 0.00002 0.00002 0.00014 0.00002 -0.00001 -0.00014 0.00000 -0.00002 -0.00002 0.00000 -0.00001 0.00005 0.00002 -0.00001 0.00006 0.00033 -0.00035 0.00012 0.00026 -0.00009 0.00007 -0.00034 -0.00002 0.00000 -0.00006 0.00006 -0.00018 0.00014 0.00004 0.00002 -0.00002 0.00001 0.00005 -0.00020 0.00015 -0.00003 -0.00013 0.00016 0.00003 0.00001 -0.00004 0.00001 -0.00016 0.00015 -0.00003 0.00006 -0.00003 -0.00006 0.00019 -0.00015 -0.00001 -0.00002 0.00004 -0.00012 0.00008 0.00004 -0.00034 0.00018 0.00021 0.00003 -0.00004 0.00000 0.00012 0.00015 -0.00008 -0.00014 0.00002 -0.00005 -0.00014 0.00019 0.00003 -0.00011 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0.00028 -0.00025 0.00010 0.00010 -0.00034 0.00033 -0.00037 0.00011 0.00005 -0.00011 0.00006 -0.00027 0.00026 0.00001 0.00006 -0.00003 -0.00003 0.00013 -0.00024 0.00011 -0.00002 -0.00015 0.00017 0.00002 -0.00004 0.00003 0.00005 -0.00018 0.00013 -0.00001 0.00005 -0.00004 -0.00005 0.00013 -0.00011 -0.00003 -0.00001 0.00004 -0.00015 0.00009 0.00006 -0.00033 0.00019 0.00018 0.00003 -0.00004 0.00001 0.00009 0.00018 -0.00008 -0.00014 0.00000 -0.00005 -0.00015 0.00017 0.00005 -0.00007 -0.00006 0.00007 0.00007 -0.00044 -0.00043 0.00070 -0.00042 -0.00031 -0.00154 0.00134 0.00133 0.00134 0.00018 -0.00083 0.00114 0.00121 0.00101 0.00032 0.00043 0.00071 0.00081 0.00081 0.00092 0.00295 0.00287 0.00252 0.00245 0.00266 0.00259 -0.00059 0.00022 -0.00069 0.00013 -0.00007 0.00003 0.00005 0.00015 -0.00055 -0.00063 -0.00048 -0.00056 0.00019 0.00047 0.00012 0.00040 0.00063 -0.00062 -0.00025 -0.00150 -0.00022 -0.00031 0.00076 0.00067 -0.00013 -0.00002 -0.00023 -0.00013 -0.00073 0.00046 -0.00066 0.00054 0.00026 0.00029 -0.00002 0.00001 0.00014 0.00026 0.00024 0.00035 0.00013 0.00116 -0.00111 -0.00009 0.00003 -0.00009 -0.00007 -0.00019 0.00069 -0.00027 0.00066 -0.00030 2.86312 2.70244 2.67272 2.80426 2.34858 2.66688 2.80249 2.87752 2.86584 2.09114 2.66451 2.65802 2.67080 2.68036 2.81174 2.66353 2.67665 2.06933 2.66531 2.07119 2.66052 2.06996 2.66948 2.06882 2.69278 2.68471 2.07049 2.67132 2.06843 2.06959 2.08812 2.09010 2.07944 2.08693 2.09057 2.07932 1.92363 1.99647 2.01070 1.80607 1.92703 1.83658 2.03004 1.93817 1.91381 1.90988 2.26793 2.10531 2.09124 2.11151 2.08017 1.91305 2.12747 2.24266 2.13257 1.87175 2.27887 2.05978 2.11593 2.10744 2.11036 2.11540 2.05721 2.09795 2.09482 2.09039 2.05543 2.09980 2.12796 2.06239 2.13208 2.08832 2.11525 2.08543 2.08250 2.10549 2.11993 2.05769 2.13975 2.05953 2.08287 2.10312 2.09420 2.08587 1.93784 1.91858 1.83933 1.91636 1.93082 1.91975 1.93977 1.91745 1.83747 1.91670 1.93267 1.91851 -0.02545 -2.20954 2.00991 -3.12603 0.01651 2.03537 -1.13620 1.00649 -1.11747 3.09772 -1.07323 2.11769 0.99930 -1.12560 3.09267 0.02537 -3.12874 2.14140 -1.01271 -1.93704 1.19204 -1.90115 1.21515 2.33157 -0.83532 0.11469 -3.05220 -0.01666 3.12493 3.13609 -0.00551 -3.12216 0.02815 0.00571 -3.12716 3.13117 0.01240 0.01443 -3.10434 3.13842 0.00573 -0.02831 3.12218 0.00019 -3.14034 -3.14139 0.00126 0.00103 -3.14082 -3.14057 0.00076 -0.00172 3.14118 3.13120 -0.00909 3.13799 0.02561 -0.02568 -3.13807 0.00192 -3.12645 3.13463 0.00627 0.00299 -3.14051 -3.13834 0.00135 0.02871 3.12035 3.13989 -0.05166 -0.00267 3.14082 3.13762 -0.00208 3.13209 0.03817 -0.02227 -3.11619 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000300 0.000035 0.008567 0.002428 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -4.841848e-07 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 1 1 2 2 3 4 4 5 5 5 6 6 7 7 8 8 10 10 11 11 12 12 13 13 14 15 15 16 16 18 19 19 19 20 20 20 5 9 14 19 9 17 20 6 7 21 8 10 11 12 9 13 15 22 14 23 16 24 18 25 17 18 26 17 27 28 29 30 31 32 33 34 1.5151 1.4298 1.4144 1.4839 1.2426 1.4112 1.483 1.5228 1.5165 1.1065 1.41 1.4066 1.4133 1.4184 1.4878 1.4095 1.4164 1.095 1.4105 1.096 1.4078 1.0954 1.4126 1.0948 1.4249 1.4207 1.0957 1.4137 1.0946 1.0952 1.105 1.106 1.1004 1.1043 1.1063 1.1003 -DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0003|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 14 17 1 1 1 6 6 7 5 5 8 5 5 11 6 6 9 1 1 3 6 6 15 7 7 14 7 7 16 8 8 18 2 2 11 10 10 18 12 12 17 4 4 14 13 13 15 2 2 2 29 29 30 4 4 4 32 32 33 1 2 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 9 19 20 6 7 21 7 21 21 8 10 10 11 12 12 9 13 13 3 8 8 15 22 22 14 23 23 16 24 24 18 25 25 11 17 17 18 26 26 17 27 27 14 16 16 15 28 28 29 30 31 30 31 31 32 33 34 33 34 34 110.2141 114.3734 115.2188 103.4747 110.4052 105.2477 116.2937 111.07 109.6466 109.4253 129.9491 120.6218 119.8347 120.9653 119.1845 109.6064 121.897 128.4966 122.1799 107.257 130.563 118.0176 121.2428 120.7378 120.9137 121.2061 117.8677 120.2009 120.0346 119.7626 117.7679 120.3064 121.9257 118.1692 122.152 119.6584 121.1966 119.4873 119.3161 120.6442 121.4577 117.894 122.6176 117.9914 119.3291 120.4982 119.9906 119.5111 111.0251 109.9162 105.3904 109.807 110.6273 109.9963 111.1491 109.8521 105.276 109.8223 110.7374 109.9186 -DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 5 5 19 19 14 14 14 20 20 17 17 17 1 1 7 7 21 21 1 1 6 6 21 21 5 5 10 10 5 5 8 8 5 5 12 12 5 5 11 11 6 6 13 13 6 6 9 9 6 6 22 22 7 7 23 23 7 7 24 24 8 8 25 25 2 2 11 11 10 10 26 26 12 12 27 1 1 1 1 1 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 5 5 5 9 9 14 14 19 19 19 17 17 20 20 20 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 10 10 10 10 11 11 11 11 12 12 12 12 9 9 9 9 13 13 13 13 15 15 15 15 14 14 14 14 16 16 16 16 18 18 18 18 17 17 17 17 18 18 18 18 17 17 17 6 7 21 3 8 11 17 29 30 31 14 16 32 33 34 8 10 8 10 8 10 11 12 11 12 11 12 9 13 9 13 15 22 15 22 14 23 14 23 16 24 16 24 1 3 1 3 18 25 18 25 18 26 18 26 2 17 2 17 17 27 17 27 15 28 15 28 4 16 4 16 13 28 13 28 4 14 4 -1.4627 -126.5724 115.1841 -179.1485 0.9704 116.6359 -65.0114 57.5911 -64.1024 177.4097 -61.502 121.3821 57.1906 -64.5611 177.139 1.435 -179.2884 122.6528 -58.0705 -111.0307 68.246 -109.0965 69.458 133.4447 -48.0008 6.4187 -175.0268 -0.9205 179.0324 179.7238 -0.3232 -178.8828 1.6109 0.3245 -179.1818 179.4343 0.7466 0.8541 -177.8336 179.8073 0.3012 -1.6289 178.8649 -0.0252 -179.8927 -179.9742 0.1584 0.0719 -179.938 -179.9848 0.0054 -0.0912 179.9777 179.4177 -0.5134 179.836 1.4409 -1.4337 -179.8288 0.0951 -179.1488 179.6026 0.3587 0.1631 -179.9528 -179.8268 0.0572 1.6376 178.7164 179.9664 -2.9548 -0.1549 179.9606 179.7763 -0.1083 179.4159 2.2022 -1.3138 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 256.16879999999986 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.954861 0.000000 2.320227 6.577027 0.000000 6.436379 2.935862 8.200346 0.000000 1.504874 4.957512 3.568576 5.789428 0.000000 2.383565 6.221198 3.564144 6.669158 1.524739 0.000000 2.466242 3.730404 4.521032 4.258047 1.532765 2.615637 0.000000 2.343259 6.739730 2.463370 7.521281 2.388650 1.412070 3.526588 0.000000 1.428186 6.060485 1.222264 7.402352 2.406789 2.369647 3.476442 1.483850 0.000000 3.772596 7.151218 4.842117 7.079810 2.671603 1.408175 3.442444 2.441697 3.699607 0.000000 2.778491 2.421940 4.743583 3.764555 2.538445 3.831213 1.416159 4.456392 3.955577 4.818277 0.000000 3.766432 4.238344 5.646929 3.723600 2.582106 3.100868 1.416183 4.212982 4.551747 3.373185 2.440673 0.000000 3.715242 8.018658 3.154822 8.611585 3.740758 2.470354 4.802791 1.409068 2.599339 2.867223 5.786257 5.266188 0.000000 4.165007 1.414765 5.985620 2.491111 3.844731 5.019198 2.455859 5.696930 5.262131 5.833150 1.408529 2.824193 6.956440 0.000000 4.734059 8.363731 5.217470 8.221023 3.905195 2.425866 4.724205 2.786151 4.254785 1.416694 6.059554 4.600935 2.455504 7.060880 0.000000 4.884160 3.753751 6.736156 2.420661 3.872515 4.490089 2.453004 5.517871 5.733418 4.711290 2.816503 1.411393 6.541925 2.444750 5.862145 0.000000 5.060930 2.482402 6.902256 1.411760 4.378201 5.300299 2.847220 6.165706 6.049468 5.799196 2.455181 2.452455 7.306444 1.426240 6.990024 1.410396 0.000000 4.718690 8.745971 4.539380 8.914247 4.324533 2.822837 5.282651 2.416386 3.838107 2.471940 6.468324 5.410893 1.412120 7.549107 1.419343 6.675171 7.657562 0.000000 5.791396 1.482806 7.041247 3.158363 5.923199 7.012051 4.677775 7.362504 6.672618 7.939279 3.469120 5.043102 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AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.805218 0.000000 2.341171 8.081740 0.000000 6.453208 2.938435 8.340284 0.000000 1.515136 4.957432 3.599604 5.768701 0.000000 2.385359 6.114981 3.581917 6.584179 1.522833 0.000000 2.489535 3.729975 4.627313 4.252173 1.516538 2.581654 0.000000 2.349477 7.246399 2.482315 7.519937 2.394850 1.409991 3.558398 0.000000 1.429849 7.109211 1.242614 7.468603 2.416035 2.368400 3.540421 1.487759 0.000000 3.772835 6.444010 4.865787 6.841288 2.654857 1.406582 3.325191 2.446830 3.703563 0.000000 3.494268 2.423547 5.788350 3.760745 2.535739 3.747754 1.413315 4.837941 4.742083 4.294565 0.000000 3.159421 4.243488 4.837575 3.720541 2.554422 3.106863 1.418355 3.834194 3.879692 3.715843 2.442161 0.000000 3.724818 8.501641 3.177165 8.585098 3.743431 2.464748 4.825138 1.409495 2.609736 2.871269 6.123142 4.911903 0.000000 4.691192 1.414413 6.899514 2.487830 3.839898 4.933219 2.456653 6.010573 5.911473 5.334568 1.410474 2.829763 7.242883 0.000000 4.738065 7.817112 5.243451 7.985410 3.891833 2.420004 4.636147 2.790389 4.262617 1.416409 5.687480 4.800923 2.459840 6.678668 0.000000 4.445161 3.760462 6.121537 2.421269 3.845218 4.454036 2.450036 5.227043 5.240494 4.865175 2.815979 1.407840 6.241124 2.449906 5.925569 0.000000 5.093194 2.485110 7.056060 1.411173 4.358388 5.218589 2.841901 6.174682 6.129721 5.565778 2.451242 2.451408 7.292465 1.424857 6.770730 1.413687 0.000000 4.723773 8.739511 4.562275 8.782824 4.316352 2.813144 5.252331 2.416067 3.845932 2.471672 6.466861 5.310537 1.412609 7.518867 1.420681 6.536526 7.542124 0.000000 6.487211 1.483887 8.668112 3.137322 5.924749 7.206775 4.689214 8.199702 7.838827 7.702280 3.482848 5.050458 9.508617 2.436141 9.074858 4.400799 3.108227 9.889414 0.000000 7.473751 3.093763 9.468291 1.483037 6.563370 7.276481 5.086741 8.367878 8.496094 7.285810 4.408147 4.722781 9.375067 3.099384 8.409951 3.525363 2.444220 9.381272 3.488719 0.000000 2.098067 4.876486 4.181077 6.231589 1.106530 2.180601 2.157013 3.087045 3.074105 3.062277 2.601291 3.456328 4.369132 4.009805 4.330740 4.605924 4.837650 4.857683 5.883309 6.893720 0.000000 4.331329 5.845700 5.765267 6.391401 2.961546 2.185256 3.279374 3.445494 4.552719 1.095039 3.943802 3.768104 3.966255 4.864383 2.188793 4.706503 5.180261 3.464815 7.200748 6.641335 3.174378 0.000000 3.701968 2.605518 6.040939 4.636449 2.761702 4.043712 2.191774 5.146442 5.007692 4.585653 1.096021 3.446167 6.452359 2.153117 5.999540 3.911502 3.431745 6.799632 3.652222 5.126718 2.363401 4.191812 0.000000 3.102229 5.338781 4.279973 4.591184 2.769390 2.884455 2.183316 3.278064 3.414041 3.538391 3.437257 1.095385 4.185248 3.925092 4.371175 2.170927 3.440487 4.650165 6.111289 5.614179 3.831953 3.863838 4.358863 0.000000 4.231304 9.385668 3.017550 9.384747 4.569055 3.452074 5.667945 2.177727 2.896329 3.965817 6.993063 5.679294 1.094757 8.107612 3.463312 6.996284 8.110539 2.197625 10.309385 10.261755 5.195230 5.060811 7.322928 4.862197 0.000000 5.779208 8.302113 6.333448 8.426457 4.812844 3.415541 5.413437 3.885985 5.357191 2.175883 6.343576 5.536457 3.445339 7.234419 1.095658 6.520560 7.297795 2.177863 9.630626 8.685279 5.168992 2.515457 6.642694 5.165842 4.363530 0.000000 5.212564 4.635151 6.604802 2.603167 4.739846 5.156182 3.451531 5.780471 5.827149 5.494714 3.910235 2.188252 6.645178 3.430066 6.383381 1.094562 2.155089 6.907442 5.124529 3.712399 5.590100 5.398983 5.005498 2.522880 7.325402 6.925337 0.000000 5.757079 9.784910 5.325297 9.720990 5.410443 3.908177 6.324651 3.415914 4.769502 3.455807 7.541355 6.300968 2.177509 8.560707 2.179597 7.476241 8.523656 1.095191 10.948640 10.285899 5.933675 4.359261 7.880391 5.577321 2.539051 2.496629 7.758979 0.000000 6.846788 2.144643 8.916434 2.450671 6.340564 7.544350 4.974630 8.482332 8.126715 8.027942 3.963096 5.024100 9.747417 2.714915 9.346739 4.118008 2.841962 10.126852 1.104994 2.942205 6.475376 7.559745 4.383972 6.034027 10.520357 9.892705 4.637900 11.159916 0.000000 6.002692 2.131522 8.117087 3.796067 5.664150 7.062769 4.578667 7.931796 7.389617 7.740138 3.451017 5.050619 9.292976 2.746960 9.123199 4.607302 3.519284 9.817677 1.106033 4.428019 5.586416 7.363574 3.507591 6.059000 10.021554 9.780710 5.381807 10.897309 1.809028 0.000000 7.412828 2.068696 9.636111 3.935622 6.788718 8.064637 5.617824 9.116448 8.787729 8.482480 4.317559 6.065851 10.424713 3.329298 9.867187 5.413388 4.065359 10.751623 1.100398 3.940400 6.623509 7.895671 4.297359 7.142543 11.254911 10.365662 6.121659 11.809670 1.813450 1.807365 0.000000 7.461756 2.391741 9.599134 2.144935 6.479183 7.296993 5.068203 8.474133 8.584977 7.302430 4.131521 5.013406 9.547213 2.834744 8.510951 4.007723 2.725756 9.550268 2.905648 1.104332 6.632318 6.574491 4.644841 6.005140 10.473717 8.782482 4.441619 10.493428 2.657639 3.942874 3.157136 0.000000 7.547742 3.730511 9.469313 2.130145 6.517518 7.009861 5.104048 8.130302 8.444791 6.830871 4.615955 4.645804 9.015322 3.500626 7.847365 3.526953 2.760956 8.874712 4.414111 1.106265 6.902766 6.143496 5.381170 5.432812 9.933234 8.013718 3.619101 9.716583 3.974102 5.318312 4.880468 1.808848 0.000000 8.420955 3.909772 10.361741 2.066400 7.589645 8.316558 6.093175 9.362332 9.440320 8.342994 5.419392 5.636248 10.358277 4.062072 9.435237 4.342529 3.331714 10.379532 3.963275 1.100332 7.941630 7.714814 6.125437 6.477729 11.215117 9.695615 4.335225 11.264317 3.215345 4.921363 4.276861 1.814056 1.806642 0.000000 0.7265511 0.1687659 0.1553674 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= 220 220 221 221 221 MxSgAt= 34 MxSgA2= 34. 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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 34 34 34 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= 11026 NPrTT= 57078 LenC2= 9556 LenP2D= 30935. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 228 RedAO= T EigKep= 4.31D-04 NBF= 228 NBsUse= 228 1.00D-06 EigRej= -1.00D+00 NBFU= 228 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= 222 222 222 222 222 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 0 1 -917.528128147371 -917.479288159017 0.048839988354 -917.687262621683 -0.207974462666 -917.685386623722 0.001875997961 -917.777816999251 -0.092430375529 -917.802542053839 -0.024725054588 -917.803363997038 -0.000821943198 -917.803671917593 -0.000307920555 -917.803695203304 -0.000023285711 -917.803777038990 -0.000081835685 -917.803776190560 0.000000848430 -917.803777463869 -0.000001273309 -917.803777485772 -0.000000021902 -917.803777544662 -0.000000058891 -917.803777550464 -0.000000005802 -917.803777550705 -0.000000000241 -917.803777550683 0.000000000021 -917.803777550697 -0.000000000014 -917.803777551 18 9.134886234216e+02 -5.054014195204e+03 1.766766948094e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=346956357. IVT= 177306 IEndB= 177306 NGot= 939524096 MDV= 598572120 LenX= 598572120 LenY= 598519695 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= 26106 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.31109351e-01 -2.81247944e-01 1.93373144e+00 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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.002550277 0.001293384 0.002125563 -0.000259877 -0.000020675 0.000065561 0.011845192 -0.004676325 -0.026022252 -0.000112283 -0.000117545 -0.000498221 -0.000321626 0.000312182 -0.000400572 0.000350781 -0.000196129 0.000113402 0.000053168 0.000134082 0.000115878 -0.000154365 -0.000170297 0.002421743 -0.008743959 0.003117332 0.021600965 0.000077321 -0.000063174 0.000184119 -0.000077787 0.000278989 0.000153311 0.000070121 -0.000285577 -0.000138147 -0.000442416 0.000303137 -0.000150005 0.000145385 -0.000024103 -0.000025161 0.000003276 0.000009500 -0.000123418 -0.000053716 0.000002501 0.000002705 0.000078655 0.000075674 0.000325141 -0.000069858 0.000031684 0.000200846 0.000068179 0.000040666 -0.000023797 0.000026779 0.000010667 0.000174751 -0.000082412 0.000057609 -0.000173485 -0.000011482 -0.000006899 0.000051635 0.000034014 -0.000019946 0.000015508 0.000024603 -0.000013895 -0.000009220 0.000081590 -0.000049214 -0.000032798 0.000009749 -0.000008019 0.000007725 -0.000011327 -0.000009735 0.000002820 0.000016261 -0.000015256 0.000033696 -0.000051310 0.000024547 -0.000009439 0.000013760 -0.000038289 0.000051455 0.000040692 0.000006514 -0.000043127 -0.000065288 -0.000079477 -0.000059378 0.000080513 0.000086740 -0.000065949 -0.000012056 0.000009346 0.000128145 0.026022252 0.003721385 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -917.807850180909 -917.807870930603 -0.000020749694 -917.808085131390 -0.000214200787 -917.808081078651 0.000004052739 -917.808086423183 -0.000005344532 -917.808086294449 0.000000128734 -917.808086489511 -0.000000195062 -917.808086501062 -0.000000011551 -917.808086501316 -0.000000000255 -917.808086501388 -0.000000000072 -917.808086501396 -0.000000000008 -917.808086501 11 9.134206069080e+02 -5.044057741347e+03 1.761764719269e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=346956357. IVT= 177306 IEndB= 177306 NGot= 939524096 MDV= 598572120 LenX= 598572120 LenY= 598519695 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= 26106 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 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 O O O O O O O O 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0.75480 0.56636 0.89176 0.82299 0.89114 0.16835 0.19600 0.08150 1.17441 0.81392 0.76378 0.34566 0.86112 0.84422 0.83681 -0.03833 0.01709 0.14894 1.17444 0.81414 0.75949 0.52477 0.86663 0.81110 0.91453 0.02458 0.16339 0.15498 1.17437 0.81403 0.75123 0.55920 0.91296 0.89900 0.80922 -0.00308 0.18679 0.22582 1.17443 0.81393 0.76636 0.35650 0.78946 0.90087 0.84601 -0.05211 0.05662 0.17206 1.17442 0.81416 0.75633 0.53492 0.88609 0.81198 0.90359 0.12668 0.13033 0.08338 1.17438 0.81431 0.74674 0.69823 0.86812 0.93939 0.81793 0.16135 0.18396 0.12579 1.17437 0.81432 0.74685 0.69792 0.87035 0.87478 0.88132 0.16335 0.15000 0.15717 0.51102 0.22800 0.51356 0.23245 0.51082 0.23262 0.51400 0.24182 0.51087 0.21902 0.51479 0.25078 0.51072 0.23620 0.51449 0.24829 0.50991 0.23698 0.51231 0.25871 0.51387 0.25427 0.50949 0.23440 0.51269 0.26350 0.51382 0.25295 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 O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.232952 -0.307273 -0.209372 -0.293664 -0.380505 0.312569 0.647942 0.068303 0.119341 -0.403337 -0.613170 -0.372362 -0.361304 0.232381 -0.208052 -0.329549 0.175869 -0.221875 -0.530192 -0.530429 0.260981 0.253987 0.256554 0.244173 0.270109 0.234427 0.253078 0.237217 0.253113 0.228971 0.231864 0.256110 0.223817 0.233229 0.00000 -1.14420436e+00 1.18368445e+00 1.80034597e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.9083 3.0086 4.5760 6.2008 -104.5174 -121.8900 -113.1705 5.8084 18.7964 -8.4025 8.6752 -8.6974 0.0222 5.8084 18.7964 -8.4025 -113.9688 140.4844 58.9113 -9.0309 72.2124 73.5194 -37.7089 72.0953 28.4543 -21.7443 -6348.0532 -827.9958 -1395.1597 127.8323 -107.5840 202.6294 -75.8974 -252.4609 -49.4130 -1468.2731 -1281.5605 -403.9781 -150.5526 -112.7514 120.2006 0 -917.8080865 6.146E-9 5.422E-5 6.4498128,-6.466292,0.0164792,4.3184369,13.9746654,-6.2470447 C01 [X(C16H14O4)] -1.1442044 1.1836844 1.800346 @ -0.000133146 0.000121092 -0.000030426 0.000059629 -0.000019445 0.000066516 0.000199411 -0.000148806 -0.000176548 -0.000096298 0.000022151 -0.000004979 -0.000045307 -0.000042689 0.000065547 0.000012485 0.000020598 -0.000048332 0.000031279 -0.000012908 0.000002422 0.000020195 0.000121435 0.000042506 -0.000082104 -0.000067667 0.000160333 -0.000009829 -0.000002938 0.000023336 -0.000019815 0.000006618 0.000021994 -0.000022451 -0.000027415 0.000003055 -0.000014334 -0.000011638 -0.000027615 -0.000049555 0.000070590 -0.000108427 0.000013573 -0.000000533 0.000003134 -0.000077868 0.000024344 0.000032978 0.000179159 -0.000109960 0.000049306 -0.000010873 -0.000011088 0.000015839 -0.000029057 0.000013612 -0.000029905 0.000032672 -0.000034442 0.000026579 0.000041060 0.000034440 -0.000008426 -0.000008414 -0.000001166 -0.000018623 0.000006939 0.000002577 -0.000002967 0.000002412 0.000019100 -0.000013097 0.000006767 -0.000007005 0.000006523 -0.000001297 -0.000000524 -0.000002468 -0.000004054 0.000000602 -0.000000909 -0.000000275 -0.000000261 -0.000007651 0.000004628 0.000003757 -0.000020425 -0.000013738 -0.000009903 -0.000003258 0.000009780 0.000009622 -0.000001966 0.000001323 0.000009743 -0.000017889 -0.000001063 0.000015964 0.000006439 -0.000001835 0.000012142 -0.000002596 256.16879999999986 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2027 CBGUSER 000242040 EM64L-G09RevD.01 1-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 96 C1[X(C16H14O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 256.16879999999986 0 1 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26843.inp" -scrdir="/scratch/" chk=000242040-Freq.chk nprocshared=4 mem=7GB #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 000242040 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 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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| 0.000240 0.000073 0.081482 0.029505 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.264238e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1451.0643326044 228 536 228 71 71 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 34 34 34 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 0 256.16879999999986 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.805218 0.000000 2.341171 8.081739 0.000000 6.453208 2.938434 8.340284 0.000000 1.515135 4.957431 3.599603 5.768701 0.000000 2.385358 6.114981 3.581917 6.584179 1.522834 0.000000 2.489536 3.729975 4.627313 4.252173 1.516538 2.581654 0.000000 2.349477 7.246399 2.482315 7.519937 2.394850 1.409992 3.558399 0.000000 1.429849 7.109210 1.242614 7.468603 2.416034 2.368399 3.540421 1.487758 0.000000 3.772835 6.444010 4.865787 6.841288 2.654857 1.406582 3.325190 2.446831 3.703563 0.000000 3.494268 2.423546 5.788350 3.760745 2.535739 3.747755 1.413315 4.837942 4.742084 4.294564 0.000000 3.159421 4.243488 4.837574 3.720542 2.554422 3.106862 1.418355 3.834194 3.879692 3.715842 2.442162 0.000000 3.724819 8.501640 3.177166 8.585099 3.743431 2.464748 4.825138 1.409495 2.609736 2.871270 6.123143 4.911903 0.000000 4.691192 1.414412 6.899513 2.487829 3.839898 4.933219 2.456653 6.010573 5.911473 5.334568 1.410473 2.829763 7.242884 0.000000 4.738065 7.817112 5.243451 7.985410 3.891834 2.420004 4.636147 2.790390 4.262617 1.416410 5.687481 4.800922 2.459840 6.678668 0.000000 4.445161 3.760461 6.121537 2.421269 3.845219 4.454036 2.450036 5.227043 5.240495 4.865174 2.815979 1.407840 6.241125 2.449905 5.925569 0.000000 5.093194 2.485110 7.056060 1.411173 4.358387 5.218589 2.841901 6.174682 6.129721 5.565778 2.451242 2.451408 7.292465 1.424857 6.770729 1.413687 0.000000 4.723773 8.739511 4.562276 8.782824 4.316352 2.813144 5.252331 2.416067 3.845932 2.471672 6.466862 5.310536 1.412609 7.518867 1.420681 6.536526 7.542124 0.000000 6.487211 1.483887 8.668111 3.137322 5.924748 7.206775 4.689215 8.199702 7.838827 7.702280 3.482848 5.050459 9.508618 2.436141 9.074858 4.400800 3.108228 9.889414 0.000000 7.473751 3.093762 9.468291 1.483037 6.563370 7.276482 5.086741 8.367879 8.496094 7.285809 4.408147 4.722782 9.375068 3.099384 8.409950 3.525363 2.444221 9.381272 3.488719 0.000000 2.098066 4.876486 4.181077 6.231589 1.106530 2.180601 2.157014 3.087046 3.074105 3.062276 2.601292 3.456328 4.369133 4.009805 4.330741 4.605925 4.837650 4.857683 5.883309 6.893721 0.000000 4.331329 5.845700 5.765267 6.391401 2.961547 2.185256 3.279374 3.445494 4.552719 1.095038 3.943803 3.768104 3.966255 4.864383 2.188792 4.706503 5.180260 3.464815 7.200748 6.641336 3.174379 0.000000 3.701968 2.605518 6.040939 4.636448 2.761702 4.043712 2.191773 5.146442 5.007692 4.585652 1.096020 3.446166 6.452359 2.153117 5.999540 3.911502 3.431744 6.799631 3.652222 5.126718 2.363401 4.191812 0.000000 3.102228 5.338781 4.279972 4.591184 2.769390 2.884455 2.183317 3.278065 3.414041 3.538391 3.437258 1.095385 4.185249 3.925093 4.371175 2.170928 3.440488 4.650165 6.111290 5.614180 3.831954 3.863838 4.358863 0.000000 4.231303 9.385667 3.017550 9.384747 4.569055 3.452073 5.667944 2.177727 2.896329 3.965817 6.993064 5.679293 1.094757 8.107612 3.463313 6.996284 8.110538 2.197625 10.309385 10.261755 5.195229 5.060810 7.322928 4.862196 0.000000 5.779208 8.302112 6.333449 8.426457 4.812844 3.415541 5.413437 3.885986 5.357191 2.175884 6.343576 5.536457 3.445339 7.234419 1.095658 6.520561 7.297794 2.177863 9.630626 8.685279 5.168993 2.515457 6.642694 5.165843 4.363531 0.000000 5.212564 4.635150 6.604802 2.603168 4.739846 5.156182 3.451531 5.780471 5.827149 5.494713 3.910235 2.188252 6.645179 3.430066 6.383380 1.094562 2.155089 6.907442 5.124529 3.712399 5.590100 5.398983 5.005497 2.522880 7.325401 6.925337 0.000000 5.757078 9.784910 5.325297 9.720990 5.410444 3.908177 6.324651 3.415914 4.769501 3.455808 7.541356 6.300968 2.177508 8.560707 2.179598 7.476242 8.523656 1.095191 10.948641 10.285899 5.933675 4.359261 7.880390 5.577321 2.539051 2.496630 7.758979 0.000000 6.846789 2.144643 8.916434 2.450670 6.340564 7.544350 4.974630 8.482332 8.126715 8.027941 3.963096 5.024100 9.747418 2.714915 9.346739 4.118008 2.841962 10.126852 1.104994 2.942205 6.475376 7.559745 4.383972 6.034027 10.520357 9.892705 4.637899 11.159916 0.000000 6.002692 2.131522 8.117086 3.796067 5.664149 7.062769 4.578668 7.931796 7.389617 7.740137 3.451017 5.050619 9.292976 2.746960 9.123199 4.607302 3.519284 9.817677 1.106034 4.428020 5.586416 7.363574 3.507591 6.059000 10.021553 9.780710 5.381807 10.897309 1.809029 0.000000 7.412829 2.068697 9.636111 3.935622 6.788718 8.064637 5.617825 9.116448 8.787729 8.482479 4.317559 6.065852 10.424714 3.329299 9.867187 5.413388 4.065359 10.751623 1.100398 3.940400 6.623510 7.895672 4.297360 7.142544 11.254911 10.365663 6.121659 11.809671 1.813451 1.807365 0.000000 7.461756 2.391741 9.599134 2.144935 6.479183 7.296993 5.068203 8.474134 8.584976 7.302429 4.131521 5.013406 9.547213 2.834744 8.510951 4.007723 2.725756 9.550268 2.905648 1.104331 6.632319 6.574492 4.644841 6.005141 10.473716 8.782482 4.441618 10.493428 2.657639 3.942875 3.157136 0.000000 7.547742 3.730511 9.469312 2.130145 6.517518 7.009861 5.104048 8.130302 8.444791 6.830871 4.615955 4.645804 9.015322 3.500626 7.847364 3.526953 2.760955 8.874712 4.414111 1.106265 6.902766 6.143496 5.381169 5.432813 9.933233 8.013718 3.619101 9.716583 3.974102 5.318313 4.880468 1.808847 0.000000 8.420955 3.909772 10.361741 2.066399 7.589645 8.316558 6.093175 9.362333 9.440320 8.342994 5.419392 5.636248 10.358278 4.062072 9.435237 4.342529 3.331714 10.379532 3.963276 1.100332 7.941631 7.714815 6.125437 6.477730 11.215117 9.695616 4.335225 11.264318 3.215345 4.921363 4.276861 1.814056 1.806643 0.000000 C16H14O4 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 0 256.16879999999986 AuxInfo=1/0/N:20,19,15,18,10,13,12,16,11,7,6,8,17,14,5,9,3,4,2,1/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.1/rA:34OOO1OCC3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s1s3s8;s6;s7;s7;s8;s2s11;s10;s12;s4s14s16;s13s15;s2;s4;s5;s10;s11;s12;s13;s15;s16;s18;s19;s19;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7265512 0.1687659 0.1553674 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= 11026 NPrTT= 57078 LenC2= 9556 LenP2D= 30935. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 228 RedAO= T EigKep= 4.31D-04 NBF= 228 NBsUse= 228 1.00D-06 EigRej= -1.00D+00 NBFU= 228 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= 222 222 222 222 222 MxSgAt= 34 MxSgA2= 34. 1 Closed 1 0 1 -917.529972361892 -917.461567628443 0.068404733450 -917.677651646341 -0.216084017898 -917.694837021826 -0.017185375485 -917.798065830462 -0.103228808636 -917.807075176537 -0.009009346075 -917.807879851226 -0.000804674689 -917.808088320113 -0.000208468887 -917.808110022479 -0.000021702366 -917.808024060146 0.000085962333 -917.808023717079 0.000000343067 -917.808024420111 -0.000000703032 -917.808024439869 -0.000000019759 -917.808024513464 -0.000000073595 -917.808024516628 -0.000000003163 -917.808024516751 -0.000000000123 -917.808024516769 -0.000000000018 -917.808024516792 -0.000000000023 -917.808024517 18 9.134209840464e+02 -5.044058768525e+03 1.761765427357e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=346956733. IVT= 177682 IEndB= 177682 NGot= 939524096 MDV= 598571744 LenX= 598571744 LenY= 598519319 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= 26106 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= 34. Will process 35 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523524 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=346789221. 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= 26106 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 105 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 102 vectors produced by pass 0 Test12= 1.11D-14 1.00D-09 XBig12= 4.64D+02 8.56D+00. AX will form 102 AO Fock derivatives at one time. 102 vectors produced by pass 1 Test12= 1.11D-14 1.00D-09 XBig12= 1.35D+02 1.80D+00. 102 vectors produced by pass 2 Test12= 1.11D-14 1.00D-09 XBig12= 5.73D-01 6.66D-02. 102 vectors produced by pass 3 Test12= 1.11D-14 1.00D-09 XBig12= 4.45D-04 1.98D-03. 79 vectors produced by pass 4 Test12= 1.11D-14 1.00D-09 XBig12= 8.15D-08 2.47D-05. 12 vectors produced by pass 5 Test12= 1.11D-14 1.00D-09 XBig12= 4.87D-12 2.07D-07. 3 vectors produced by pass 6 Test12= 1.11D-14 1.00D-09 XBig12= 1.42D-15 2.30D-09. InvSVY: IOpt=1 It= 1 EMax= 4.62D-14 Solved reduced A of dimension 502 with 105 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 186.40 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 261.502 1.064 163.286 20.438 -2.143 134.412 437.298 -14.579 313.711 65.766 -12.584 281.391 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2618.600S Thu Feb 1 17:52:52 2018 -18.80138 -18.79068 -18.78949 -18.75878 -10.02647 -9.98332 -9.97165 -9.97059 -9.94765 -9.94670 -9.94217 -9.93633 -9.93397 -9.93297 -9.93263 -9.93029 -9.93000 -9.91959 -9.91787 -9.91714 -0.99891 -0.97282 -0.95272 -0.93704 -0.80780 -0.79140 -0.73002 -0.71356 -0.69887 -0.69305 -0.65683 -0.63516 -0.61598 -0.59326 -0.56589 -0.56303 -0.53549 -0.52223 -0.48398 -0.47188 -0.46005 -0.45654 -0.43840 -0.43540 -0.43455 -0.41794 -0.41112 -0.40798 -0.39951 -0.39531 -0.38719 -0.38394 -0.37930 -0.36905 -0.35711 -0.34503 -0.34125 -0.33764 -0.33463 -0.32320 -0.31214 -0.30678 -0.29529 -0.26538 -0.25301 -0.25122 -0.24564 -0.24048 -0.22749 -0.21851 -0.20832 -0.09112 -0.06337 -0.05584 -0.04795 -0.00325 0.02141 0.04823 0.05097 0.07806 0.08589 0.09394 0.09628 0.10103 0.11123 0.11156 0.12337 0.12555 0.12993 0.13625 0.13750 0.14328 0.15424 0.15639 0.16154 0.16710 0.17225 0.17916 0.18472 0.19444 0.20054 0.20885 0.21211 0.22090 0.22488 0.23004 0.24243 0.24653 0.25131 0.25694 0.26562 0.26936 0.27567 0.28064 0.28886 0.29402 0.29903 0.30604 0.30975 0.31565 0.32524 0.33537 0.34606 0.34947 0.35109 0.35983 0.36655 0.36955 0.37642 0.38368 0.38531 0.39023 0.40034 0.40916 0.41365 0.42123 0.42758 0.43733 0.44123 0.44519 0.45748 0.46138 0.47073 0.48468 0.50413 0.50740 0.52298 0.53147 0.54160 0.55468 0.58047 0.58576 0.60094 0.60540 0.61139 0.63306 0.63730 0.66142 0.67724 0.68181 0.71702 0.72758 0.75768 0.76706 0.78417 0.80564 0.81098 0.82427 0.82622 0.83989 0.85428 0.87458 0.88068 0.89948 0.90767 0.91287 0.91921 0.93181 0.94343 0.95920 0.96876 0.97373 0.99191 1.01859 1.03287 1.04555 1.06407 1.07230 1.09937 1.10882 1.12017 1.12721 1.13091 1.15169 1.16964 1.18112 1.19273 1.20496 1.22758 1.27311 1.32806 1.35875 1.44101 1.47301 1.67554 1.71408 1.74340 1.78091 22.24735 22.34722 22.47394 22.50464 22.52325 22.53222 22.54180 22.56159 22.57632 22.62524 22.64330 22.65872 22.68081 22.71090 22.77003 22.77891 41.51818 41.54154 41.55576 41.55910 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 O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.233016 -0.307413 -0.209390 -0.293593 -0.380520 0.312726 0.647967 0.068395 0.119397 -0.403498 -0.613477 -0.372340 -0.361329 0.232931 -0.208056 -0.329356 0.175448 -0.221913 -0.530084 -0.530276 0.260966 0.254010 0.256496 0.244209 0.270091 0.234429 0.253094 0.237234 0.253085 0.228919 0.231826 0.256062 0.223792 0.233182 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 O O O O C C C C C C C C C C C C C C C C -0.233016 -0.307413 -0.209390 -0.293593 -0.119554 0.312726 0.647967 0.068395 0.119397 -0.149488 -0.356981 -0.128131 -0.091238 0.232931 0.026374 -0.076261 0.175448 0.015321 0.183746 0.182759 0.00000 -9.35944697e-01 2.08905365e+00 -8.43262212e-01 2.61501958e+02 1.06443704e+00 1.63285786e+02 2.04384272e+01 -2.14298449e+00 1.34411931e+02 -5.1597 -3.2923 -0.0007 -0.0006 -0.0006 6.4551 17.4978 40.9993 47.7171 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.3765 40.9856 47.7056 75.0569 109.1471 117.5242 134.2569 155.9692 161.4639 165.9464 189.6051 209.0797 218.1590 248.6578 283.0143 297.8470 353.1682 386.1328 411.5803 415.3540 468.1663 493.1700 508.5096 550.5940 562.4690 571.0983 598.5830 652.9719 667.5010 691.1717 708.5743 723.3815 744.2948 756.1834 785.3295 787.0295 834.0220 849.0676 865.3104 895.3274 903.8900 912.1190 947.5298 962.6423 966.4011 970.9323 982.4904 1002.9392 1018.9796 1086.1827 1095.5067 1113.8310 1115.8741 1144.3284 1154.0554 1157.2940 1169.3869 1181.1686 1195.7812 1206.9571 1244.1645 1252.6979 1272.0941 1281.2977 1286.2651 1373.2827 1402.1495 1405.9408 1425.6984 1446.1621 1450.4099 1458.2494 1460.3059 1461.0823 1476.6394 1487.6343 1487.9139 1575.0418 1605.6484 1613.6033 1619.3713 1699.1839 2974.7490 2976.6305 3014.3600 3071.5160 3074.1033 3123.9573 3125.6158 3134.2710 3140.1415 3143.0976 3146.4717 3157.7326 3166.7011 3171.3261 4.8611 4.7889 5.6545 3.7493 3.1789 3.1360 5.0270 1.8365 1.7336 1.1570 4.2287 4.5562 5.4472 5.8536 6.4901 5.8173 4.5971 4.9607 5.3253 3.2253 4.3926 3.6133 6.6422 7.8054 5.7240 6.8293 5.9026 4.4351 4.7023 6.2385 5.4076 3.5184 5.7575 3.6351 3.8012 1.7494 1.8264 3.1411 4.0435 1.5483 2.3618 2.9849 7.7885 1.4538 3.2356 1.7035 3.8432 1.3322 2.0777 2.5487 2.3309 1.2408 1.2410 1.4330 1.3033 1.4774 1.1298 2.2163 1.7814 1.6313 2.2434 1.7656 1.8421 1.4804 2.4409 6.2854 6.0358 2.2473 1.1818 1.4174 2.4661 1.0581 1.1530 2.2061 1.0687 1.3579 1.7689 7.2668 7.5605 6.6462 7.2990 12.9784 1.0305 1.0310 1.0847 1.1046 1.1037 1.1028 1.1031 1.0862 1.0890 1.0915 1.0902 1.0955 1.0963 1.1004 0.0009 0.0047 0.0076 0.0124 0.0223 0.0255 0.0534 0.0263 0.0266 0.0188 0.0896 0.1173 0.1527 0.2132 0.3063 0.3041 0.3378 0.4358 0.5315 0.3278 0.5672 0.5178 1.0120 1.3941 1.0670 1.3124 1.2461 1.1141 1.2344 1.7559 1.5996 1.0847 1.8792 1.2247 1.3813 0.6385 0.7485 1.3342 1.7838 0.7313 1.1369 1.4631 4.1199 0.7938 1.7804 0.9462 2.1857 0.7896 1.2710 1.7717 1.6482 0.9070 0.9105 1.1056 1.0227 1.1658 0.9103 1.8218 1.5007 1.4002 2.0460 1.6325 1.7563 1.4320 2.3794 6.9840 6.9915 2.6173 1.4153 1.7465 3.0567 1.3256 1.4487 2.7747 1.3729 1.7706 2.3073 10.6213 11.4842 10.1957 11.2774 22.0776 5.3727 5.3824 5.8070 6.1401 6.1453 6.3410 6.3495 6.2868 6.3267 6.3533 6.3590 6.4360 6.4773 6.5206 0.5973 2.3804 0.1874 3.4671 8.9622 1.8848 0.9380 2.2669 1.2183 0.2335 0.8214 8.8166 2.9587 4.9686 2.7329 7.9008 0.2696 1.7831 11.9263 1.3861 4.0461 5.2031 4.6605 2.0192 8.4572 5.9600 25.0280 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